Starting phenix.real_space_refine (version: dev) on Wed May 4 10:02:13 2022 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5t0c_8333/05_2022/5t0c_8333_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5t0c_8333/05_2022/5t0c_8333.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.8 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5t0c_8333/05_2022/5t0c_8333.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5t0c_8333/05_2022/5t0c_8333.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5t0c_8333/05_2022/5t0c_8333_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5t0c_8333/05_2022/5t0c_8333_updated.pdb" } resolution = 3.8 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= 0.000 sd= 0.001 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Convert atoms to be neutral Process input model Symmetric amino acids flipped Residue "AU GLU 40": "OE1" <-> "OE2" Residue "AU ARG 140": "NH1" <-> "NH2" Residue "AU ARG 159": "NH1" <-> "NH2" Residue "AU PHE 193": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU ARG 194": "NH1" <-> "NH2" Residue "AU PHE 402": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU TYR 650": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU PHE 769": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU TYR 802": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AV GLU 36": "OE1" <-> "OE2" Residue "AV ARG 306": "NH1" <-> "NH2" Residue "AV ARG 314": "NH1" <-> "NH2" Residue "AV ARG 355": "NH1" <-> "NH2" Residue "AV ARG 397": "NH1" <-> "NH2" Residue "AW ARG 8": "NH1" <-> "NH2" Residue "AW ARG 12": "NH1" <-> "NH2" Residue "AW ARG 55": "NH1" <-> "NH2" Residue "AW ARG 182": "NH1" <-> "NH2" Residue "AW TYR 240": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AW ARG 357": "NH1" <-> "NH2" Residue "AW ARG 364": "NH1" <-> "NH2" Residue "AX TYR 253": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY PHE 24": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY ARG 113": "NH1" <-> "NH2" Residue "AY ARG 137": "NH1" <-> "NH2" Residue "AY TYR 143": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY ARG 176": "NH1" <-> "NH2" Residue "AY ARG 177": "NH1" <-> "NH2" Residue "AY ARG 179": "NH1" <-> "NH2" Residue "AY PHE 208": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY PHE 261": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY ARG 267": "NH1" <-> "NH2" Residue "AY ARG 297": "NH1" <-> "NH2" Residue "AY ARG 300": "NH1" <-> "NH2" Residue "AY ARG 312": "NH1" <-> "NH2" Residue "AY ARG 342": "NH1" <-> "NH2" Residue "AY ARG 358": "NH1" <-> "NH2" Residue "AZ GLU 173": "OE1" <-> "OE2" Residue "AZ TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AZ ARG 267": "NH1" <-> "NH2" Residue "Aa ASP 187": "OD1" <-> "OD2" Residue "Aa ARG 196": "NH1" <-> "NH2" Residue "Aa ARG 226": "NH1" <-> "NH2" Residue "Aa ARG 270": "NH1" <-> "NH2" Residue "Aa ARG 284": "NH1" <-> "NH2" Residue "Ab ARG 70": "NH1" <-> "NH2" Residue "Ab GLU 134": "OE1" <-> "OE2" Residue "Ab ASP 164": "OD1" <-> "OD2" Residue "Ac ARG 68": "NH1" <-> "NH2" Residue "Ac ARG 104": "NH1" <-> "NH2" Residue "Ac PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Ac PHE 133": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Ac ASP 146": "OD1" <-> "OD2" Residue "Ad ARG 52": "NH1" <-> "NH2" Residue "Ad ARG 65": "NH1" <-> "NH2" Residue "Ad ARG 111": "NH1" <-> "NH2" Residue "Ad ARG 175": "NH1" <-> "NH2" Residue "Af PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Af TYR 434": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Af ARG 763": "NH1" <-> "NH2" Residue "Af TYR 819": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA ARG 227": "NH1" <-> "NH2" Residue "AA PHE 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA ARG 255": "NH1" <-> "NH2" Residue "AA PHE 274": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA ARG 284": "NH1" <-> "NH2" Residue "AA PHE 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA ARG 297": "NH1" <-> "NH2" Residue "AA ARG 312": "NH1" <-> "NH2" Residue "AA ARG 336": "NH1" <-> "NH2" Residue "AA ARG 351": "NH1" <-> "NH2" Residue "AA ARG 366": "NH1" <-> "NH2" Residue "AA ARG 369": "NH1" <-> "NH2" Residue "AA ARG 386": "NH1" <-> "NH2" Residue "AA TYR 420": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA ARG 428": "NH1" <-> "NH2" Residue "AB ARG 103": "NH1" <-> "NH2" Residue "AB PHE 138": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AB TYR 225": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AB ARG 249": "NH1" <-> "NH2" Residue "AB PHE 271": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AB ARG 303": "NH1" <-> "NH2" Residue "AB ARG 307": "NH1" <-> "NH2" Residue "AB ARG 343": "NH1" <-> "NH2" Residue "AB ARG 346": "NH1" <-> "NH2" Residue "AB ARG 408": "NH1" <-> "NH2" Residue "AB ARG 411": "NH1" <-> "NH2" Residue "AD ARG 81": "NH1" <-> "NH2" Residue "AD ARG 114": "NH1" <-> "NH2" Residue "AD TYR 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AD ARG 200": "NH1" <-> "NH2" Residue "AD ARG 245": "NH1" <-> "NH2" Residue "AD ARG 274": "NH1" <-> "NH2" Residue "AD ARG 283": "NH1" <-> "NH2" Residue "AD ARG 338": "NH1" <-> "NH2" Residue "AD ARG 388": "NH1" <-> "NH2" Residue "AD PHE 399": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE TYR 110": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE ARG 143": "NH1" <-> "NH2" Residue "AE ARG 161": "NH1" <-> "NH2" Residue "AE TYR 173": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE ARG 185": "NH1" <-> "NH2" Residue "AE TYR 207": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE ARG 223": "NH1" <-> "NH2" Residue "AE ARG 255": "NH1" <-> "NH2" Residue "AE ARG 272": "NH1" <-> "NH2" Residue "AE ARG 281": "NH1" <-> "NH2" Residue "AE ARG 356": "NH1" <-> "NH2" Residue "AE PHE 361": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AF TYR 226": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AF ARG 238": "NH1" <-> "NH2" Residue "AF ARG 269": "NH1" <-> "NH2" Residue "AF ARG 295": "NH1" <-> "NH2" Residue "AF ARG 334": "NH1" <-> "NH2" Residue "AF ARG 347": "NH1" <-> "NH2" Residue "AF ARG 350": "NH1" <-> "NH2" Residue "AC ARG 44": "NH1" <-> "NH2" Residue "AC ARG 57": "NH1" <-> "NH2" Residue "AC ARG 60": "NH1" <-> "NH2" Residue "AC TYR 121": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC TYR 189": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC ARG 229": "NH1" <-> "NH2" Residue "AC ARG 258": "NH1" <-> "NH2" Residue "AC PHE 283": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC ARG 307": "NH1" <-> "NH2" Residue "AC ARG 334": "NH1" <-> "NH2" Residue "AC ARG 372": "NH1" <-> "NH2" Residue "AC ARG 374": "NH1" <-> "NH2" Residue "AG ARG 21": "NH1" <-> "NH2" Residue "AG ARG 95": "NH1" <-> "NH2" Residue "AG TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG ARG 132": "NH1" <-> "NH2" Residue "AG TYR 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG TYR 160": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG PHE 210": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AH ARG 4": "NH1" <-> "NH2" Residue "AH TYR 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AH TYR 76": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AH TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AH TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AH TYR 167": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AH TYR 229": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI TYR 136": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI TYR 156": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI ARG 249": "NH1" <-> "NH2" Residue "AJ TYR 153": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK ARG 20": "NH1" <-> "NH2" Residue "AK PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AL ARG 96": "NH1" <-> "NH2" Residue "AL ARG 157": "NH1" <-> "NH2" Residue "AL ARG 239": "NH1" <-> "NH2" Residue "AM ARG 19": "NH1" <-> "NH2" Residue "AM PHE 98": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM ARG 187": "NH1" <-> "NH2" Residue "AM PHE 209": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM ARG 232": "NH1" <-> "NH2" Residue "AN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AN ARG 45": "NH1" <-> "NH2" Residue "AN TYR 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AN TYR 112": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AN PHE 125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AN TYR 138": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO TYR 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AP TYR 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AP PHE 117": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ TYR 67": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ TYR 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AR PHE 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AR TYR 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AR TYR 112": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS PHE 57": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS TYR 122": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS PHE 135": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AT PHE 16": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AT TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AT TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AT PHE 187": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BU GLU 40": "OE1" <-> "OE2" Residue "BU ARG 140": "NH1" <-> "NH2" Residue "BU ARG 159": "NH1" <-> "NH2" Residue "BU PHE 193": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BU ARG 194": "NH1" <-> "NH2" Residue "BU PHE 402": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BU TYR 650": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BU PHE 769": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BU TYR 802": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BV GLU 36": "OE1" <-> "OE2" Residue "BV ARG 306": "NH1" <-> "NH2" Residue "BV ARG 314": "NH1" <-> "NH2" Residue "BV ARG 355": "NH1" <-> "NH2" Residue "BV ARG 397": "NH1" <-> "NH2" Residue "BW ARG 8": "NH1" <-> "NH2" Residue "BW ARG 12": "NH1" <-> "NH2" Residue "BW ARG 55": "NH1" <-> "NH2" Residue "BW ARG 182": "NH1" <-> "NH2" Residue "BW TYR 240": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BW ARG 357": "NH1" <-> "NH2" Residue "BW ARG 364": "NH1" <-> "NH2" Residue "BX TYR 253": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BY PHE 24": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BY ARG 113": "NH1" <-> "NH2" Residue "BY ARG 137": "NH1" <-> "NH2" Residue "BY TYR 143": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BY ARG 176": "NH1" <-> "NH2" Residue "BY ARG 177": "NH1" <-> "NH2" Residue "BY ARG 179": "NH1" <-> "NH2" Residue "BY PHE 208": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BY PHE 261": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BY ARG 267": "NH1" <-> "NH2" Residue "BY ARG 297": "NH1" <-> "NH2" Residue "BY ARG 300": "NH1" <-> "NH2" Residue "BY ARG 312": "NH1" <-> "NH2" Residue "BY ARG 342": "NH1" <-> "NH2" Residue "BY ARG 358": "NH1" <-> "NH2" Residue "BZ GLU 173": "OE1" <-> "OE2" Residue "BZ TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BZ ARG 267": "NH1" <-> "NH2" Residue "Ba ASP 187": "OD1" <-> "OD2" Residue "Ba ARG 196": "NH1" <-> "NH2" Residue "Ba ARG 226": "NH1" <-> "NH2" Residue "Ba ARG 270": "NH1" <-> "NH2" Residue "Ba ARG 284": "NH1" <-> "NH2" Residue "Bb ARG 70": "NH1" <-> "NH2" Residue "Bb GLU 134": "OE1" <-> "OE2" Residue "Bb ASP 164": "OD1" <-> "OD2" Residue "Bc ARG 68": "NH1" <-> "NH2" Residue "Bc ARG 104": "NH1" <-> "NH2" Residue "Bc PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bc PHE 133": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bc ASP 146": "OD1" <-> "OD2" Residue "Bd ARG 52": "NH1" <-> "NH2" Residue "Bd ARG 65": "NH1" <-> "NH2" Residue "Bd ARG 111": "NH1" <-> "NH2" Residue "Bd ARG 175": "NH1" <-> "NH2" Residue "Bf PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bf TYR 434": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bf ARG 763": "NH1" <-> "NH2" Residue "Bf TYR 819": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BA PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BA ARG 227": "NH1" <-> "NH2" Residue "BA PHE 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BA ARG 255": "NH1" <-> "NH2" Residue "BA PHE 274": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BA ARG 284": "NH1" <-> "NH2" Residue "BA PHE 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BA ARG 297": "NH1" <-> "NH2" Residue "BA ARG 312": "NH1" <-> "NH2" Residue "BA ARG 336": "NH1" <-> "NH2" Residue "BA ARG 351": "NH1" <-> "NH2" Residue "BA ARG 366": "NH1" <-> "NH2" Residue "BA ARG 369": "NH1" <-> "NH2" Residue "BA ARG 386": "NH1" <-> "NH2" Residue "BA TYR 420": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BA ARG 428": "NH1" <-> "NH2" Residue "BB ARG 103": "NH1" <-> "NH2" Residue "BB PHE 138": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BB TYR 225": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BB ARG 249": "NH1" <-> "NH2" Residue "BB PHE 271": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BB ARG 303": "NH1" <-> "NH2" Residue "BB ARG 307": "NH1" <-> "NH2" Residue "BB ARG 343": "NH1" <-> "NH2" Residue "BB ARG 346": "NH1" <-> "NH2" Residue "BB ARG 408": "NH1" <-> "NH2" Residue "BB ARG 411": "NH1" <-> "NH2" Residue "BD ARG 81": "NH1" <-> "NH2" Residue "BD ARG 114": "NH1" <-> "NH2" Residue "BD TYR 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BD ARG 200": "NH1" <-> "NH2" Residue "BD ARG 245": "NH1" <-> "NH2" Residue "BD ARG 274": "NH1" <-> "NH2" Residue "BD ARG 283": "NH1" <-> "NH2" Residue "BD ARG 338": "NH1" <-> "NH2" Residue "BD ARG 388": "NH1" <-> "NH2" Residue "BD PHE 399": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BE TYR 110": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BE ARG 143": "NH1" <-> "NH2" Residue "BE ARG 161": "NH1" <-> "NH2" Residue "BE TYR 173": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BE ARG 185": "NH1" <-> "NH2" Residue "BE TYR 207": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BE ARG 223": "NH1" <-> "NH2" Residue "BE ARG 255": "NH1" <-> "NH2" Residue "BE ARG 272": "NH1" <-> "NH2" Residue "BE ARG 281": "NH1" <-> "NH2" Residue "BE ARG 356": "NH1" <-> "NH2" Residue "BE PHE 361": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BF TYR 226": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BF ARG 238": "NH1" <-> "NH2" Residue "BF ARG 269": "NH1" <-> "NH2" Residue "BF ARG 295": "NH1" <-> "NH2" Residue "BF ARG 334": "NH1" <-> "NH2" Residue "BF ARG 347": "NH1" <-> "NH2" Residue "BF ARG 350": "NH1" <-> "NH2" Residue "BC ARG 44": "NH1" <-> "NH2" Residue "BC ARG 57": "NH1" <-> "NH2" Residue "BC ARG 60": "NH1" <-> "NH2" Residue "BC TYR 121": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BC TYR 189": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BC ARG 229": "NH1" <-> "NH2" Residue "BC ARG 258": "NH1" <-> "NH2" Residue "BC PHE 283": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BC ARG 307": "NH1" <-> "NH2" Residue "BC ARG 334": "NH1" <-> "NH2" Residue "BC ARG 372": "NH1" <-> "NH2" Residue "BC ARG 374": "NH1" <-> "NH2" Residue "BG ARG 21": "NH1" <-> "NH2" Residue "BG ARG 95": "NH1" <-> "NH2" Residue "BG TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BG ARG 132": "NH1" <-> "NH2" Residue "BG TYR 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BG TYR 160": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BG PHE 210": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BH ARG 4": "NH1" <-> "NH2" Residue "BH TYR 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BH TYR 76": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BH TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BH TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BH TYR 167": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BH TYR 229": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BI TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BI TYR 136": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BI TYR 156": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BI ARG 249": "NH1" <-> "NH2" Residue "BJ TYR 153": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BK ARG 20": "NH1" <-> "NH2" Residue "BK PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BL ARG 96": "NH1" <-> "NH2" Residue "BL ARG 157": "NH1" <-> "NH2" Residue "BL ARG 239": "NH1" <-> "NH2" Residue "BM ARG 19": "NH1" <-> "NH2" Residue "BM PHE 98": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BM TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BM ARG 187": "NH1" <-> "NH2" Residue "BM PHE 209": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BM ARG 232": "NH1" <-> "NH2" Residue "BN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BN ARG 45": "NH1" <-> "NH2" Residue "BN TYR 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BN TYR 112": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BN PHE 125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BN TYR 138": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BO TYR 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BO PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BP TYR 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BP PHE 117": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BQ TYR 67": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BQ TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BQ TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BQ TYR 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BR PHE 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BR TYR 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BR TYR 112": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BS PHE 57": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BS TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BS TYR 122": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BS TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BS PHE 135": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BT PHE 16": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BT TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BT TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BT PHE 187": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.32s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4553/modules/chem_data/mon_lib" Total number of atoms: 155574 Number of models: 1 Model: "" Number of chains: 78 Chain: "AU" Number of atoms: 6287 Number of conformers: 1 Conformer: "" Number of residues, atoms: 806, 6287 Classifications: {'peptide': 806} Link IDs: {'PTRANS': 25, 'CIS': 3, 'TRANS': 776, 'PCIS': 1} Chain breaks: 3 Chain: "AV" Number of atoms: 3852 Number of conformers: 1 Conformer: "" Number of residues, atoms: 480, 3852 Classifications: {'peptide': 480} Link IDs: {'PTRANS': 22, 'CIS': 22, 'TRANS': 435} Chain: "AW" Number of atoms: 3703 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3703 Classifications: {'peptide': 456} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 8, 'CIS': 14, 'TRANS': 433} Chain: "AX" Number of atoms: 3009 Number of conformers: 1 Conformer: "" Number of residues, atoms: 380, 3009 Classifications: {'peptide': 380} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 369, 'PCIS': 1} Chain: "AY" Number of atoms: 3115 Number of conformers: 1 Conformer: "" Number of residues, atoms: 378, 3115 Classifications: {'peptide': 378} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 6, 'TRANS': 364} Chain: "AZ" Number of atoms: 2281 Number of conformers: 1 Conformer: "" Number of residues, atoms: 286, 2281 Classifications: {'peptide': 286} Link IDs: {'PTRANS': 7, 'CIS': 13, 'TRANS': 263, 'PCIS': 2} Chain: "Aa" Number of atoms: 2995 Number of conformers: 1 Conformer: "" Number of residues, atoms: 373, 2995 Classifications: {'peptide': 373} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 12, 'CIS': 8, 'TRANS': 352} Chain: "Ab" Number of atoms: 1458 Number of conformers: 1 Conformer: "" Number of residues, atoms: 191, 1458 Classifications: {'peptide': 191} Link IDs: {'PTRANS': 8, 'CIS': 3, 'TRANS': 178, 'PCIS': 1} Chain: "Ac" Number of atoms: 2260 Number of conformers: 1 Conformer: "" Number of residues, atoms: 287, 2260 Classifications: {'peptide': 287} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 8, 'TRANS': 268, 'PCIS': 3} Chain: "Ad" Number of atoms: 2116 Number of conformers: 1 Conformer: "" Number of residues, atoms: 257, 2116 Classifications: {'peptide': 257} Modifications used: {'COO': 1} Link IDs: {'CIS': 14, 'PTRANS': 10, 'TRANS': 231, 'PCIS': 1} Chain: "Ae" Number of atoms: 334 Number of conformers: 1 Conformer: "" Number of residues, atoms: 40, 334 Classifications: {'peptide': 40} Modifications used: {'COO': 1} Link IDs: {'CIS': 3, 'PTRANS': 1, 'TRANS': 35} Chain breaks: 1 Chain: "Af" Number of atoms: 5331 Number of conformers: 1 Conformer: "" Number of residues, atoms: 694, 5331 Classifications: {'peptide': 694} Link IDs: {'CIS': 25, 'PTRANS': 20, 'TRANS': 647, 'PCIS': 1} Chain breaks: 3 Chain: "AA" Number of atoms: 2835 Number of conformers: 1 Conformer: "" Number of residues, atoms: 361, 2835 Classifications: {'peptide': 361} Link IDs: {'PTRANS': 22, 'CIS': 12, 'TRANS': 325, 'PCIS': 1} Chain: "AB" Number of atoms: 2662 Number of conformers: 1 Conformer: "" Number of residues, atoms: 341, 2662 Classifications: {'peptide': 341} Link IDs: {'CIS': 14, 'PTRANS': 14, 'TRANS': 310, 'PCIS': 2} Chain: "AD" Number of atoms: 3040 Number of conformers: 1 Conformer: "" Number of residues, atoms: 380, 3040 Classifications: {'peptide': 380} Modifications used: {'COO': 1} Link IDs: {'CIS': 12, 'PTRANS': 12, 'TRANS': 350, 'PCIS': 5} Chain: "AE" Number of atoms: 2790 Number of conformers: 1 Conformer: "" Number of residues, atoms: 353, 2790 Classifications: {'peptide': 353} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 16, 'CIS': 3, 'TRANS': 331, 'PCIS': 2} Chain: "AF" Number of atoms: 2863 Number of conformers: 1 Conformer: "" Number of residues, atoms: 366, 2863 Classifications: {'peptide': 366} Modifications used: {'COO': 1} Link IDs: {'CIS': 13, 'PTRANS': 17, 'TRANS': 334, 'PCIS': 1} Chain breaks: 1 Chain: "AC" Number of atoms: 3015 Number of conformers: 1 Conformer: "" Number of residues, atoms: 384, 3015 Classifications: {'peptide': 384} Link IDs: {'CIS': 9, 'PTRANS': 15, 'TRANS': 358, 'PCIS': 1} Chain: "AG" Number of atoms: 1826 Number of conformers: 1 Conformer: "" Number of residues, atoms: 240, 1826 Classifications: {'peptide': 240} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 8, 'CIS': 1, 'TRANS': 230} Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 53 Unresolved non-hydrogen dihedrals: 41 Planarities with less than four sites: {'PHE:plan': 1, 'GLU:plan': 3, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 24 Chain: "AH" Number of atoms: 1708 Number of conformers: 1 Conformer: "" Number of residues, atoms: 232, 1708 Classifications: {'peptide': 232} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 26} Link IDs: {'PTRANS': 10, 'CIS': 1, 'TRANS': 220} Unresolved non-hydrogen bonds: 109 Unresolved non-hydrogen angles: 135 Unresolved non-hydrogen dihedrals: 95 Unresolved non-hydrogen chiralities: 8 Planarities with less than four sites: {'GLN:plan1': 2, 'TYR:plan': 1, 'ASN:plan1': 1, 'TRP:plan': 1, 'PHE:plan': 1, 'GLU:plan': 2, 'ARG:plan': 3} Unresolved non-hydrogen planarities: 56 Chain: "AI" Number of atoms: 1912 Number of conformers: 1 Conformer: "" Number of residues, atoms: 250, 1912 Classifications: {'peptide': 250} Incomplete info: {'truncation_to_alanine': 17} Link IDs: {'PTRANS': 5, 'CIS': 3, 'TRANS': 241} Unresolved non-hydrogen bonds: 59 Unresolved non-hydrogen angles: 66 Unresolved non-hydrogen dihedrals: 52 Unresolved non-hydrogen chiralities: 3 Planarities with less than four sites: {'GLN:plan1': 2, 'GLU:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 15 Chain: "AJ" Number of atoms: 1704 Number of conformers: 1 Conformer: "" Number of residues, atoms: 239, 1704 Classifications: {'peptide': 239} Incomplete info: {'truncation_to_alanine': 51} Link IDs: {'PTRANS': 6, 'CIS': 1, 'TRANS': 231} Unresolved non-hydrogen bonds: 185 Unresolved non-hydrogen angles: 223 Unresolved non-hydrogen dihedrals: 151 Unresolved non-hydrogen chiralities: 17 Planarities with less than four sites: {'PHE:plan': 2, 'GLU:plan': 11, 'ARG:plan': 4, 'ASN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 82 Chain: "AK" Number of atoms: 1722 Number of conformers: 1 Conformer: "" Number of residues, atoms: 228, 1722 Classifications: {'peptide': 228} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 7} Link IDs: {'PTRANS': 7, 'CIS': 4, 'TRANS': 216} Chain breaks: 1 Unresolved non-hydrogen bonds: 32 Unresolved non-hydrogen angles: 36 Unresolved non-hydrogen dihedrals: 31 Planarities with less than four sites: {'TYR:plan': 1, 'GLU:plan': 1} Unresolved non-hydrogen planarities: 11 Chain: "AL" Number of atoms: 1850 Number of conformers: 1 Conformer: "" Number of residues, atoms: 238, 1850 Classifications: {'peptide': 238} Incomplete info: {'truncation_to_alanine': 6} Link IDs: {'PTRANS': 10, 'CIS': 1, 'TRANS': 226} Unresolved non-hydrogen bonds: 23 Unresolved non-hydrogen angles: 27 Unresolved non-hydrogen dihedrals: 19 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 2, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 15 Chain: "AM" Number of atoms: 1856 Number of conformers: 1 Conformer: "" Number of residues, atoms: 240, 1856 Classifications: {'peptide': 240} Incomplete info: {'truncation_to_alanine': 6} Link IDs: {'PTRANS': 5, 'CIS': 1, 'TRANS': 233} Unresolved non-hydrogen bonds: 25 Unresolved non-hydrogen angles: 28 Unresolved non-hydrogen dihedrals: 22 Planarities with less than four sites: {'GLU:plan': 1, 'ASN:plan1': 1, 'ARG:plan': 1} Unresolved non-hydrogen planarities: 12 Chain: "AN" Number of atoms: 1430 Number of conformers: 1 Conformer: "" Number of residues, atoms: 191, 1430 Classifications: {'peptide': 191} Link IDs: {'PTRANS': 5, 'TRANS': 185} Chain: "AO" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 220, 1643 Classifications: {'peptide': 220} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 8, 'TRANS': 210, 'PCIS': 1} Unresolved non-hydrogen bonds: 16 Unresolved non-hydrogen angles: 17 Unresolved non-hydrogen dihedrals: 15 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AP" Number of atoms: 1585 Number of conformers: 1 Conformer: "" Number of residues, atoms: 204, 1585 Classifications: {'peptide': 204} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 9, 'TRANS': 194} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 7 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'ARG:plan': 1} Unresolved non-hydrogen planarities: 5 Chain: "AQ" Number of atoms: 1570 Number of conformers: 1 Conformer: "" Number of residues, atoms: 199, 1570 Classifications: {'peptide': 199} Incomplete info: {'truncation_to_alanine': 6} Link IDs: {'PTRANS': 8, 'TRANS': 190} Unresolved non-hydrogen bonds: 26 Unresolved non-hydrogen angles: 29 Unresolved non-hydrogen dihedrals: 23 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'ARG:plan': 1} Unresolved non-hydrogen planarities: 13 Chain: "AR" Number of atoms: 1548 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1548 Classifications: {'peptide': 201} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 2, 'TRANS': 198} Unresolved non-hydrogen bonds: 11 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AS" Number of atoms: 1641 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1641 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 6, 'TRANS': 206} Unresolved non-hydrogen bonds: 13 Unresolved non-hydrogen angles: 15 Unresolved non-hydrogen dihedrals: 11 Unresolved non-hydrogen chiralities: 2 Chain: "AT" Number of atoms: 1667 Number of conformers: 1 Conformer: "" Number of residues, atoms: 215, 1667 Classifications: {'peptide': 215} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 7, 'TRANS': 207} Unresolved non-hydrogen bonds: 14 Unresolved non-hydrogen angles: 15 Unresolved non-hydrogen dihedrals: 13 Planarities with less than four sites: {'ARG:plan': 1} Unresolved non-hydrogen planarities: 5 Chain: "BU" Number of atoms: 6287 Number of conformers: 1 Conformer: "" Number of residues, atoms: 806, 6287 Classifications: {'peptide': 806} Link IDs: {'PTRANS': 25, 'CIS': 3, 'TRANS': 776, 'PCIS': 1} Chain breaks: 3 Chain: "BV" Number of atoms: 3852 Number of conformers: 1 Conformer: "" Number of residues, atoms: 480, 3852 Classifications: {'peptide': 480} Link IDs: {'PTRANS': 22, 'CIS': 22, 'TRANS': 435} Chain: "BW" Number of atoms: 3703 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3703 Classifications: {'peptide': 456} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 8, 'CIS': 14, 'TRANS': 433} Chain: "BX" Number of atoms: 3009 Number of conformers: 1 Conformer: "" Number of residues, atoms: 380, 3009 Classifications: {'peptide': 380} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 369, 'PCIS': 1} Chain: "BY" Number of atoms: 3115 Number of conformers: 1 Conformer: "" Number of residues, atoms: 378, 3115 Classifications: {'peptide': 378} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 6, 'TRANS': 364} Chain: "BZ" Number of atoms: 2281 Number of conformers: 1 Conformer: "" Number of residues, atoms: 286, 2281 Classifications: {'peptide': 286} Link IDs: {'PTRANS': 7, 'CIS': 13, 'TRANS': 263, 'PCIS': 2} Chain: "Ba" Number of atoms: 2995 Number of conformers: 1 Conformer: "" Number of residues, atoms: 373, 2995 Classifications: {'peptide': 373} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 12, 'CIS': 8, 'TRANS': 352} Chain: "Bb" Number of atoms: 1458 Number of conformers: 1 Conformer: "" Number of residues, atoms: 191, 1458 Classifications: {'peptide': 191} Link IDs: {'PTRANS': 8, 'CIS': 3, 'TRANS': 178, 'PCIS': 1} Chain: "Bc" Number of atoms: 2260 Number of conformers: 1 Conformer: "" Number of residues, atoms: 287, 2260 Classifications: {'peptide': 287} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 8, 'TRANS': 268, 'PCIS': 3} Chain: "Bd" Number of atoms: 2116 Number of conformers: 1 Conformer: "" Number of residues, atoms: 257, 2116 Classifications: {'peptide': 257} Modifications used: {'COO': 1} Link IDs: {'CIS': 14, 'PTRANS': 10, 'TRANS': 231, 'PCIS': 1} Chain: "Be" Number of atoms: 334 Number of conformers: 1 Conformer: "" Number of residues, atoms: 40, 334 Classifications: {'peptide': 40} Modifications used: {'COO': 1} Link IDs: {'CIS': 3, 'PTRANS': 1, 'TRANS': 35} Chain breaks: 1 Chain: "Bf" Number of atoms: 5331 Number of conformers: 1 Conformer: "" Number of residues, atoms: 694, 5331 Classifications: {'peptide': 694} Link IDs: {'CIS': 25, 'PTRANS': 20, 'TRANS': 647, 'PCIS': 1} Chain breaks: 3 Chain: "BA" Number of atoms: 2835 Number of conformers: 1 Conformer: "" Number of residues, atoms: 361, 2835 Classifications: {'peptide': 361} Link IDs: {'PTRANS': 22, 'CIS': 12, 'TRANS': 325, 'PCIS': 1} Chain: "BB" Number of atoms: 2662 Number of conformers: 1 Conformer: "" Number of residues, atoms: 341, 2662 Classifications: {'peptide': 341} Link IDs: {'CIS': 14, 'PTRANS': 14, 'TRANS': 310, 'PCIS': 2} Chain: "BD" Number of atoms: 3040 Number of conformers: 1 Conformer: "" Number of residues, atoms: 380, 3040 Classifications: {'peptide': 380} Modifications used: {'COO': 1} Link IDs: {'CIS': 12, 'PTRANS': 12, 'TRANS': 350, 'PCIS': 5} Chain: "BE" Number of atoms: 2790 Number of conformers: 1 Conformer: "" Number of residues, atoms: 353, 2790 Classifications: {'peptide': 353} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 16, 'CIS': 3, 'TRANS': 331, 'PCIS': 2} Chain: "BF" Number of atoms: 2863 Number of conformers: 1 Conformer: "" Number of residues, atoms: 366, 2863 Classifications: {'peptide': 366} Modifications used: {'COO': 1} Link IDs: {'CIS': 13, 'PTRANS': 17, 'TRANS': 334, 'PCIS': 1} Chain breaks: 1 Chain: "BC" Number of atoms: 3015 Number of conformers: 1 Conformer: "" Number of residues, atoms: 384, 3015 Classifications: {'peptide': 384} Link IDs: {'CIS': 9, 'PTRANS': 15, 'TRANS': 358, 'PCIS': 1} Chain: "BG" Number of atoms: 1826 Number of conformers: 1 Conformer: "" Number of residues, atoms: 240, 1826 Classifications: {'peptide': 240} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 8, 'CIS': 1, 'TRANS': 230} Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 53 Unresolved non-hydrogen dihedrals: 41 Planarities with less than four sites: {'PHE:plan': 1, 'GLU:plan': 3, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 24 Chain: "BH" Number of atoms: 1708 Number of conformers: 1 Conformer: "" Number of residues, atoms: 232, 1708 Classifications: {'peptide': 232} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 26} Link IDs: {'PTRANS': 10, 'CIS': 1, 'TRANS': 220} Unresolved non-hydrogen bonds: 109 Unresolved non-hydrogen angles: 135 Unresolved non-hydrogen dihedrals: 95 Unresolved non-hydrogen chiralities: 8 Planarities with less than four sites: {'GLN:plan1': 2, 'TYR:plan': 1, 'ASN:plan1': 1, 'TRP:plan': 1, 'PHE:plan': 1, 'GLU:plan': 2, 'ARG:plan': 3} Unresolved non-hydrogen planarities: 56 Chain: "BI" Number of atoms: 1912 Number of conformers: 1 Conformer: "" Number of residues, atoms: 250, 1912 Classifications: {'peptide': 250} Incomplete info: {'truncation_to_alanine': 17} Link IDs: {'PTRANS': 5, 'CIS': 3, 'TRANS': 241} Unresolved non-hydrogen bonds: 59 Unresolved non-hydrogen angles: 66 Unresolved non-hydrogen dihedrals: 52 Unresolved non-hydrogen chiralities: 3 Planarities with less than four sites: {'GLN:plan1': 2, 'GLU:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 15 Chain: "BJ" Number of atoms: 1704 Number of conformers: 1 Conformer: "" Number of residues, atoms: 239, 1704 Classifications: {'peptide': 239} Incomplete info: {'truncation_to_alanine': 51} Link IDs: {'PTRANS': 6, 'CIS': 1, 'TRANS': 231} Unresolved non-hydrogen bonds: 185 Unresolved non-hydrogen angles: 223 Unresolved non-hydrogen dihedrals: 151 Unresolved non-hydrogen chiralities: 17 Planarities with less than four sites: {'PHE:plan': 2, 'GLU:plan': 11, 'ARG:plan': 4, 'ASN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 82 Chain: "BK" Number of atoms: 1722 Number of conformers: 1 Conformer: "" Number of residues, atoms: 228, 1722 Classifications: {'peptide': 228} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 7} Link IDs: {'PTRANS': 7, 'CIS': 4, 'TRANS': 216} Chain breaks: 1 Unresolved non-hydrogen bonds: 32 Unresolved non-hydrogen angles: 36 Unresolved non-hydrogen dihedrals: 31 Planarities with less than four sites: {'TYR:plan': 1, 'GLU:plan': 1} Unresolved non-hydrogen planarities: 11 Chain: "BL" Number of atoms: 1850 Number of conformers: 1 Conformer: "" Number of residues, atoms: 238, 1850 Classifications: {'peptide': 238} Incomplete info: {'truncation_to_alanine': 6} Link IDs: {'PTRANS': 10, 'CIS': 1, 'TRANS': 226} Unresolved non-hydrogen bonds: 23 Unresolved non-hydrogen angles: 27 Unresolved non-hydrogen dihedrals: 19 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 2, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 15 Chain: "BM" Number of atoms: 1856 Number of conformers: 1 Conformer: "" Number of residues, atoms: 240, 1856 Classifications: {'peptide': 240} Incomplete info: {'truncation_to_alanine': 6} Link IDs: {'PTRANS': 5, 'CIS': 1, 'TRANS': 233} Unresolved non-hydrogen bonds: 25 Unresolved non-hydrogen angles: 28 Unresolved non-hydrogen dihedrals: 22 Planarities with less than four sites: {'GLU:plan': 1, 'ASN:plan1': 1, 'ARG:plan': 1} Unresolved non-hydrogen planarities: 12 Chain: "BN" Number of atoms: 1430 Number of conformers: 1 Conformer: "" Number of residues, atoms: 191, 1430 Classifications: {'peptide': 191} Link IDs: {'PTRANS': 5, 'TRANS': 185} Chain: "BO" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 220, 1643 Classifications: {'peptide': 220} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 8, 'TRANS': 210, 'PCIS': 1} Unresolved non-hydrogen bonds: 16 Unresolved non-hydrogen angles: 17 Unresolved non-hydrogen dihedrals: 15 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "BP" Number of atoms: 1585 Number of conformers: 1 Conformer: "" Number of residues, atoms: 204, 1585 Classifications: {'peptide': 204} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 9, 'TRANS': 194} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 7 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'ARG:plan': 1} Unresolved non-hydrogen planarities: 5 Chain: "BQ" Number of atoms: 1570 Number of conformers: 1 Conformer: "" Number of residues, atoms: 199, 1570 Classifications: {'peptide': 199} Incomplete info: {'truncation_to_alanine': 6} Link IDs: {'PTRANS': 8, 'TRANS': 190} Unresolved non-hydrogen bonds: 26 Unresolved non-hydrogen angles: 29 Unresolved non-hydrogen dihedrals: 23 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'ARG:plan': 1} Unresolved non-hydrogen planarities: 13 Chain: "BR" Number of atoms: 1548 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1548 Classifications: {'peptide': 201} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 2, 'TRANS': 198} Unresolved non-hydrogen bonds: 11 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "BS" Number of atoms: 1641 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1641 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 6, 'TRANS': 206} Unresolved non-hydrogen bonds: 13 Unresolved non-hydrogen angles: 15 Unresolved non-hydrogen dihedrals: 11 Unresolved non-hydrogen chiralities: 2 Chain: "BT" Number of atoms: 1667 Number of conformers: 1 Conformer: "" Number of residues, atoms: 215, 1667 Classifications: {'peptide': 215} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 7, 'TRANS': 207} Unresolved non-hydrogen bonds: 14 Unresolved non-hydrogen angles: 15 Unresolved non-hydrogen dihedrals: 13 Planarities with less than four sites: {'ARG:plan': 1} Unresolved non-hydrogen planarities: 5 Chain: "Ac" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "AA" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "AB" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "AD" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "AE" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "AF" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "AC" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "Bc" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "BA" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "BB" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "BD" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "BE" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "BF" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "BC" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Residues with excluded nonbonded symmetry interactions: 24 residue: pdb=" N ALAAX 359 " occ=0.50 ... (3 atoms not shown) pdb=" CB ALAAX 359 " occ=0.50 residue: pdb=" N GLNAX 380 " occ=0.50 ... (7 atoms not shown) pdb=" NE2 GLNAX 380 " occ=0.50 residue: pdb=" N GLYAZ 30 " occ=0.38 ... (2 atoms not shown) pdb=" O GLYAZ 30 " occ=0.38 residue: pdb=" N ILEAb 90 " occ=0.46 ... (6 atoms not shown) pdb=" CD1 ILEAb 90 " occ=0.46 residue: pdb=" N SERAb 115 " occ=0.70 ... (4 atoms not shown) pdb=" OG SERAb 115 " occ=0.70 residue: pdb=" N ILEAb 140 " occ=0.39 ... (6 atoms not shown) pdb=" CD1 ILEAb 140 " occ=0.39 residue: pdb=" N VALAb 173 " occ=0.89 ... (5 atoms not shown) pdb=" CG2 VALAb 173 " occ=0.89 residue: pdb=" N GLYAb 191 " occ=0.50 ... (2 atoms not shown) pdb=" O GLYAb 191 " occ=0.50 residue: pdb=" N ILEAd 63 " occ=0.78 ... (6 atoms not shown) pdb=" CD1 ILEAd 63 " occ=0.78 residue: pdb=" N SERAd 70 " occ=0.95 ... (4 atoms not shown) pdb=" OG SERAd 70 " occ=0.95 residue: pdb=" N METAd 95 " occ=0.66 ... (6 atoms not shown) pdb=" CE METAd 95 " occ=0.66 residue: pdb=" N METAd 144 " occ=0.52 ... (6 atoms not shown) pdb=" CE METAd 144 " occ=0.52 ... (remaining 12 not shown) Time building chain proxies: 55.32, per 1000 atoms: 0.36 Number of scatterers: 155574 At special positions: 0 Unit cell: (233.06, 479.02, 222.74, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 6 Type Number sf(0) Zn 2 29.99 S 898 16.00 P 32 15.00 O 29608 8.00 N 26762 7.00 C 98272 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=2, symmetry=0 Simple disulfide: pdb=" SG CYSAM 41 " - pdb=" SG CYSAM 186 " distance=2.03 Simple disulfide: pdb=" SG CYSBM 41 " - pdb=" SG CYSBM 186 " distance=2.03 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: 48.58 Conformation dependent library (CDL) restraints added in 15.3 seconds Dynamic metal coordination Zn2+ tetrahedral coordination Zn2+ tetrahedral coordination pdb=" ZNAc 401 " pdb="ZN ZNAc 401 " - pdb=" NE2 HISAc 115 " pdb="ZN ZNAc 401 " - pdb=" NE2 HISAc 113 " pdb=" ZNBc 401 " pdb="ZN ZNBc 401 " - pdb=" NE2 HISBc 115 " pdb="ZN ZNBc 401 " - pdb=" NE2 HISBc 113 " 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 37196 Finding SS restraints... Warning!!! ksdssp method is not applicable forstructures with more than 99999 atoms! Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 824 helices and 106 sheets defined 61.6% alpha, 10.6% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 26.80 Creating SS restraints... Processing helix chain 'AU' and resid 7 through 14 removed outlier: 4.455A pdb=" N LEUAU 11 " --> pdb=" O GLYAU 7 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N LEUAU 12 " --> pdb=" O ILEAU 8 " (cutoff:3.500A) removed outlier: 4.651A pdb=" N ASPAU 13 " --> pdb=" O ILEAU 9 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N GLUAU 14 " --> pdb=" O SERAU 10 " (cutoff:3.500A) No H-bonds generated for 'chain 'AU' and resid 7 through 14' Processing helix chain 'AU' and resid 16 through 31 removed outlier: 4.058A pdb=" N LYSAU 20 " --> pdb=" O GLUAU 16 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N PHEAU 22 " --> pdb=" O GLNAU 18 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N ALAAU 29 " --> pdb=" O HISAU 25 " (cutoff:3.500A) Processing helix chain 'AU' and resid 34 through 42 removed outlier: 3.855A pdb=" N SERAU 39 " --> pdb=" O TRPAU 35 " (cutoff:3.500A) removed outlier: 4.570A pdb=" N GLUAU 40 " --> pdb=" O ALAAU 36 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N SERAU 41 " --> pdb=" O GLUAU 37 " (cutoff:3.500A) Processing helix chain 'AU' and resid 43 through 51 removed outlier: 4.234A pdb=" N VALAU 47 " --> pdb=" O ASPAU 43 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N LEUAU 48 " --> pdb=" O LYSAU 44 " (cutoff:3.500A) Processing helix chain 'AU' and resid 56 through 72 removed outlier: 4.062A pdb=" N LEUAU 62 " --> pdb=" O GLNAU 58 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N VALAU 63 " --> pdb=" O PHEAU 59 " (cutoff:3.500A) Processing helix chain 'AU' and resid 73 through 84 removed outlier: 4.059A pdb=" N SERAU 77 " --> pdb=" O ALAAU 73 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N TYRAU 80 " --> pdb=" O GLUAU 76 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N GLYAU 83 " --> pdb=" O ASNAU 79 " (cutoff:3.500A) Processing helix chain 'AU' and resid 85 through 91 removed outlier: 4.248A pdb=" N ASNAU 89 " --> pdb=" O GLYAU 85 " (cutoff:3.500A) removed outlier: 4.436A pdb=" N ASNAU 91 " --> pdb=" O LEUAU 87 " (cutoff:3.500A) Processing helix chain 'AU' and resid 95 through 119 removed outlier: 3.601A pdb=" N THRAU 99 " --> pdb=" O GLUAU 95 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ILEAU 100 " --> pdb=" O TYRAU 96 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ASPAU 117 " --> pdb=" O VALAU 113 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N LEUAU 118 " --> pdb=" O GLUAU 114 " (cutoff:3.500A) Proline residue: AU 119 - end of helix Processing helix chain 'AU' and resid 127 through 145 removed outlier: 4.059A pdb=" N VALAU 134 " --> pdb=" O LEUAU 130 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N ASNAU 135 " --> pdb=" O GLUAU 131 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N ARGAU 140 " --> pdb=" O LYSAU 136 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N CYSAU 141 " --> pdb=" O METAU 137 " (cutoff:3.500A) Processing helix chain 'AU' and resid 146 through 158 removed outlier: 3.782A pdb=" N ALAAU 150 " --> pdb=" O LYSAU 146 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N ILEAU 151 " --> pdb=" O TYRAU 147 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N GLYAU 152 " --> pdb=" O LYSAU 148 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N ALAAU 154 " --> pdb=" O ALAAU 150 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ARGAU 158 " --> pdb=" O ALAAU 154 " (cutoff:3.500A) Processing helix chain 'AU' and resid 159 through 169 removed outlier: 3.676A pdb=" N LYSAU 165 " --> pdb=" O ASPAU 161 " (cutoff:3.500A) Processing helix chain 'AU' and resid 175 through 188 removed outlier: 3.966A pdb=" N LEUAU 181 " --> pdb=" O LEUAU 177 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYSAU 182 " --> pdb=" O ALAAU 178 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N SERAU 186 " --> pdb=" O LYSAU 182 " (cutoff:3.500A) Processing helix chain 'AU' and resid 190 through 209 removed outlier: 4.221A pdb=" N ARGAU 194 " --> pdb=" O ASNAU 190 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N ASNAU 195 " --> pdb=" O LYSAU 191 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N LYSAU 196 " --> pdb=" O GLNAU 192 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N VALAU 200 " --> pdb=" O LYSAU 196 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N LEUAU 201 " --> pdb=" O VALAU 197 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N VALAU 202 " --> pdb=" O LEUAU 198 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N LYSAU 203 " --> pdb=" O ARGAU 199 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N GLUAU 209 " --> pdb=" O TYRAU 205 " (cutoff:3.500A) Processing helix chain 'AU' and resid 212 through 223 removed outlier: 4.603A pdb=" N VALAU 216 " --> pdb=" O ASPAU 212 " (cutoff:3.500A) Processing helix chain 'AU' and resid 225 through 240 removed outlier: 4.037A pdb=" N VALAU 229 " --> pdb=" O ASPAU 225 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ASPAU 231 " --> pdb=" O GLNAU 227 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N ILEAU 232 " --> pdb=" O ALAAU 228 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N LEUAU 233 " --> pdb=" O VALAU 229 " (cutoff:3.500A) Processing helix chain 'AU' and resid 243 through 256 removed outlier: 4.195A pdb=" N GLNAU 247 " --> pdb=" O LEUAU 243 " (cutoff:3.500A) removed outlier: 4.610A pdb=" N ILEAU 248 " --> pdb=" O METAU 244 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N CYSAU 249 " --> pdb=" O ALAAU 245 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N PHEAU 250 " --> pdb=" O TYRAU 246 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N ALAAU 256 " --> pdb=" O LEUAU 252 " (cutoff:3.500A) Processing helix chain 'AU' and resid 257 through 270 removed outlier: 3.869A pdb=" N GLNAU 266 " --> pdb=" O SERAU 262 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N ASNAU 267 " --> pdb=" O SERAU 263 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N THRAU 270 " --> pdb=" O GLNAU 266 " (cutoff:3.500A) Processing helix chain 'AU' and resid 320 through 331 removed outlier: 3.875A pdb=" N METAU 325 " --> pdb=" O GLNAU 321 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N ILEAU 326 " --> pdb=" O THRAU 322 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N LYSAU 327 " --> pdb=" O LEUAU 323 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ILEAU 328 " --> pdb=" O LYSAU 324 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N LEUAU 329 " --> pdb=" O METAU 325 " (cutoff:3.500A) Processing helix chain 'AU' and resid 332 through 346 Processing helix chain 'AU' and resid 349 through 360 removed outlier: 4.443A pdb=" N LEUAU 353 " --> pdb=" O ASPAU 349 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N ALAAU 359 " --> pdb=" O ASNAU 355 " (cutoff:3.500A) removed outlier: 5.279A pdb=" N VALAU 360 " --> pdb=" O THRAU 356 " (cutoff:3.500A) Processing helix chain 'AU' and resid 364 through 378 removed outlier: 4.111A pdb=" N VALAU 370 " --> pdb=" O HISAU 366 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N PHEAU 375 " --> pdb=" O ILEAU 371 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N METAU 376 " --> pdb=" O ALAAU 372 " (cutoff:3.500A) Processing helix chain 'AU' and resid 383 through 388 removed outlier: 5.088A pdb=" N ARGAU 387 " --> pdb=" O ASPAU 383 " (cutoff:3.500A) Processing helix chain 'AU' and resid 389 through 396 removed outlier: 4.152A pdb=" N LEUAU 393 " --> pdb=" O ASNAU 389 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N ALAAU 396 " --> pdb=" O TRPAU 392 " (cutoff:3.500A) Processing helix chain 'AU' and resid 398 through 413 removed outlier: 4.321A pdb=" N PHEAU 402 " --> pdb=" O ASNAU 398 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N GLYAU 409 " --> pdb=" O THRAU 405 " (cutoff:3.500A) Processing helix chain 'AU' and resid 415 through 425 removed outlier: 5.136A pdb=" N LEUAU 420 " --> pdb=" O GLUAU 416 " (cutoff:3.500A) removed outlier: 5.182A pdb=" N GLNAU 421 " --> pdb=" O LYSAU 417 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N METAU 423 " --> pdb=" O ALAAU 419 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ALAAU 424 " --> pdb=" O LEUAU 420 " (cutoff:3.500A) removed outlier: 5.406A pdb=" N THRAU 425 " --> pdb=" O GLNAU 421 " (cutoff:3.500A) Processing helix chain 'AU' and resid 435 through 451 removed outlier: 4.242A pdb=" N GLUAU 439 " --> pdb=" O SERAU 435 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLYAU 442 " --> pdb=" O GLNAU 438 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N LEUAU 443 " --> pdb=" O GLUAU 439 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYRAU 444 " --> pdb=" O GLYAU 440 " (cutoff:3.500A) Processing helix chain 'AU' and resid 455 through 468 removed outlier: 4.209A pdb=" N ASPAU 459 " --> pdb=" O GLYAU 455 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ASNAU 463 " --> pdb=" O ASPAU 459 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLNAU 464 " --> pdb=" O TYRAU 460 " (cutoff:3.500A) removed outlier: 4.206A pdb=" N LYSAU 466 " --> pdb=" O LEUAU 462 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N ASNAU 467 " --> pdb=" O ASNAU 463 " (cutoff:3.500A) removed outlier: 5.024A pdb=" N ALAAU 468 " --> pdb=" O GLNAU 464 " (cutoff:3.500A) Processing helix chain 'AU' and resid 470 through 486 removed outlier: 7.440A pdb=" N ARGAU 474 " --> pdb=" O ASNAU 470 " (cutoff:3.500A) removed outlier: 4.167A pdb=" N GLYAU 476 " --> pdb=" O ILEAU 472 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N LEUAU 479 " --> pdb=" O HISAU 475 " (cutoff:3.500A) Processing helix chain 'AU' and resid 490 through 504 removed outlier: 4.702A pdb=" N TYRAU 494 " --> pdb=" O ARGAU 490 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ASPAU 495 " --> pdb=" O GLNAU 491 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N LEUAU 496 " --> pdb=" O ASPAU 492 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N LYSAU 498 " --> pdb=" O TYRAU 494 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N THRAU 499 " --> pdb=" O ASPAU 495 " (cutoff:3.500A) removed outlier: 4.845A pdb=" N ASPAU 504 " --> pdb=" O ASNAU 500 " (cutoff:3.500A) Processing helix chain 'AU' and resid 506 through 521 removed outlier: 3.618A pdb=" N GLUAU 510 " --> pdb=" O ALAAU 506 " (cutoff:3.500A) removed outlier: 4.596A pdb=" N ALAAU 511 " --> pdb=" O VALAU 507 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLYAU 517 " --> pdb=" O GLYAU 513 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N METAU 520 " --> pdb=" O LEUAU 516 " (cutoff:3.500A) Processing helix chain 'AU' and resid 525 through 537 removed outlier: 4.338A pdb=" N ILEAU 529 " --> pdb=" O ASNAU 525 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N GLNAU 537 " --> pdb=" O VALAU 533 " (cutoff:3.500A) Processing helix chain 'AU' and resid 541 through 557 removed outlier: 3.825A pdb=" N LEUAU 545 " --> pdb=" O HISAU 541 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N METAU 556 " --> pdb=" O ILEAU 552 " (cutoff:3.500A) removed outlier: 4.787A pdb=" N TYRAU 557 " --> pdb=" O ALAAU 553 " (cutoff:3.500A) Processing helix chain 'AU' and resid 560 through 573 removed outlier: 4.654A pdb=" N ASPAU 564 " --> pdb=" O METAU 560 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N ALAAU 565 " --> pdb=" O GLUAU 561 " (cutoff:3.500A) removed outlier: 5.345A pdb=" N LEUAU 566 " --> pdb=" O GLUAU 562 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N SERAU 569 " --> pdb=" O ALAAU 565 " (cutoff:3.500A) Processing helix chain 'AU' and resid 575 through 591 removed outlier: 3.721A pdb=" N METAU 583 " --> pdb=" O ARGAU 579 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N TYRAU 584 " --> pdb=" O ARGAU 580 " (cutoff:3.500A) Processing helix chain 'AU' and resid 595 through 609 removed outlier: 4.313A pdb=" N ILEAU 599 " --> pdb=" O ASNAU 595 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N ARGAU 600 " --> pdb=" O ASNAU 596 " (cutoff:3.500A) removed outlier: 4.470A pdb=" N ARGAU 601 " --> pdb=" O LYSAU 597 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N ASPAU 609 " --> pdb=" O VALAU 605 " (cutoff:3.500A) Processing helix chain 'AU' and resid 611 through 627 removed outlier: 3.691A pdb=" N VALAU 619 " --> pdb=" O ARGAU 615 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N SERAU 621 " --> pdb=" O ALAAU 617 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N LEUAU 622 " --> pdb=" O ALAAU 618 " (cutoff:3.500A) removed outlier: 4.412A pdb=" N GLYAU 623 " --> pdb=" O VALAU 619 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N PHEAU 624 " --> pdb=" O GLUAU 620 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N PHEAU 627 " --> pdb=" O GLYAU 623 " (cutoff:3.500A) Processing helix chain 'AU' and resid 629 through 643 removed outlier: 4.523A pdb=" N CYSAU 633 " --> pdb=" O THRAU 629 " (cutoff:3.500A) Proline residue: AU 634 - end of helix removed outlier: 4.735A pdb=" N LEUAU 639 " --> pdb=" O SERAU 635 " (cutoff:3.500A) removed outlier: 4.576A pdb=" N LEUAU 640 " --> pdb=" O VALAU 636 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N GLUAU 642 " --> pdb=" O SERAU 638 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N SERAU 643 " --> pdb=" O LEUAU 639 " (cutoff:3.500A) Processing helix chain 'AU' and resid 645 through 660 removed outlier: 3.604A pdb=" N LEUAU 656 " --> pdb=" O ALAAU 652 " (cutoff:3.500A) Processing helix chain 'AU' and resid 665 through 678 removed outlier: 3.945A pdb=" N ILEAU 669 " --> pdb=" O ASNAU 665 " (cutoff:3.500A) Proline residue: AU 674 - end of helix removed outlier: 4.289A pdb=" N ASNAU 677 " --> pdb=" O GLUAU 673 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N ASPAU 678 " --> pdb=" O PROAU 674 " (cutoff:3.500A) Processing helix chain 'AU' and resid 680 through 696 removed outlier: 3.942A pdb=" N ARGAU 684 " --> pdb=" O VALAU 680 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLNAU 685 " --> pdb=" O ASNAU 681 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N METAU 695 " --> pdb=" O SERAU 691 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ILEAU 696 " --> pdb=" O ALAAU 692 " (cutoff:3.500A) Processing helix chain 'AU' and resid 699 through 704 removed outlier: 3.890A pdb=" N CYSAU 703 " --> pdb=" O THRAU 699 " (cutoff:3.500A) Proline residue: AU 704 - end of helix No H-bonds generated for 'chain 'AU' and resid 699 through 704' Processing helix chain 'AU' and resid 705 through 720 removed outlier: 3.707A pdb=" N LEUAU 712 " --> pdb=" O GLNAU 708 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N SERAU 714 " --> pdb=" O ARGAU 710 " (cutoff:3.500A) removed outlier: 5.851A pdb=" N LYSAU 720 " --> pdb=" O VALAU 716 " (cutoff:3.500A) Processing helix chain 'AU' and resid 723 through 739 removed outlier: 4.032A pdb=" N GLYAU 729 " --> pdb=" O METAU 725 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ALAAU 730 " --> pdb=" O ALAAU 726 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N ILEAU 731 " --> pdb=" O LYSAU 727 " (cutoff:3.500A) Processing helix chain 'AU' and resid 756 through 768 removed outlier: 4.878A pdb=" N GLNAU 768 " --> pdb=" O LEUAU 764 " (cutoff:3.500A) Processing helix chain 'AU' and resid 772 through 783 removed outlier: 4.303A pdb=" N SERAU 776 " --> pdb=" O TRPAU 772 " (cutoff:3.500A) removed outlier: 4.650A pdb=" N HISAU 777 " --> pdb=" O PHEAU 773 " (cutoff:3.500A) removed outlier: 4.473A pdb=" N PHEAU 778 " --> pdb=" O PROAU 774 " (cutoff:3.500A) removed outlier: 4.655A pdb=" N LEUAU 779 " --> pdb=" O LEUAU 775 " (cutoff:3.500A) removed outlier: 4.965A pdb=" N SERAU 780 " --> pdb=" O SERAU 776 " (cutoff:3.500A) removed outlier: 4.640A pdb=" N LEUAU 781 " --> pdb=" O HISAU 777 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N ALAAU 782 " --> pdb=" O PHEAU 778 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N TYRAU 783 " --> pdb=" O LEUAU 779 " (cutoff:3.500A) No H-bonds generated for 'chain 'AU' and resid 772 through 783' Processing helix chain 'AU' and resid 807 through 812 removed outlier: 3.854A pdb=" N PHEAU 811 " --> pdb=" O LYSAU 807 " (cutoff:3.500A) Processing helix chain 'AU' and resid 885 through 892 removed outlier: 4.598A pdb=" N LYSAU 890 " --> pdb=" O PROAU 886 " (cutoff:3.500A) removed outlier: 4.886A pdb=" N VALAU 891 " --> pdb=" O ALAAU 887 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LEUAU 892 " --> pdb=" O GLNAU 888 " (cutoff:3.500A) Processing helix chain 'BU' and resid 7 through 14 removed outlier: 4.455A pdb=" N LEUBU 11 " --> pdb=" O GLYBU 7 " (cutoff:3.500A) removed outlier: 4.343A pdb=" N LEUBU 12 " --> pdb=" O ILEBU 8 " (cutoff:3.500A) removed outlier: 4.651A pdb=" N ASPBU 13 " --> pdb=" O ILEBU 9 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N GLUBU 14 " --> pdb=" O SERBU 10 " (cutoff:3.500A) No H-bonds generated for 'chain 'BU' and resid 7 through 14' Processing helix chain 'BU' and resid 16 through 31 removed outlier: 4.058A pdb=" N LYSBU 20 " --> pdb=" O GLUBU 16 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N PHEBU 22 " --> pdb=" O GLNBU 18 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N ALABU 29 " --> pdb=" O HISBU 25 " (cutoff:3.500A) Processing helix chain 'BU' and resid 34 through 42 removed outlier: 3.855A pdb=" N SERBU 39 " --> pdb=" O TRPBU 35 " (cutoff:3.500A) removed outlier: 4.570A pdb=" N GLUBU 40 " --> pdb=" O ALABU 36 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N SERBU 41 " --> pdb=" O GLUBU 37 " (cutoff:3.500A) Processing helix chain 'BU' and resid 43 through 51 removed outlier: 4.233A pdb=" N VALBU 47 " --> pdb=" O ASPBU 43 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEUBU 48 " --> pdb=" O LYSBU 44 " (cutoff:3.500A) Processing helix chain 'BU' and resid 56 through 72 removed outlier: 4.062A pdb=" N LEUBU 62 " --> pdb=" O GLNBU 58 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N VALBU 63 " --> pdb=" O PHEBU 59 " (cutoff:3.500A) Processing helix chain 'BU' and resid 73 through 84 removed outlier: 4.060A pdb=" N SERBU 77 " --> pdb=" O ALABU 73 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N TYRBU 80 " --> pdb=" O GLUBU 76 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N GLYBU 83 " --> pdb=" O ASNBU 79 " (cutoff:3.500A) Processing helix chain 'BU' and resid 85 through 91 removed outlier: 4.248A pdb=" N ASNBU 89 " --> pdb=" O GLYBU 85 " (cutoff:3.500A) removed outlier: 4.436A pdb=" N ASNBU 91 " --> pdb=" O LEUBU 87 " (cutoff:3.500A) Processing helix chain 'BU' and resid 95 through 119 removed outlier: 3.602A pdb=" N THRBU 99 " --> pdb=" O GLUBU 95 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ILEBU 100 " --> pdb=" O TYRBU 96 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ASPBU 117 " --> pdb=" O VALBU 113 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N LEUBU 118 " --> pdb=" O GLUBU 114 " (cutoff:3.500A) Proline residue: BU 119 - end of helix Processing helix chain 'BU' and resid 127 through 145 removed outlier: 4.058A pdb=" N VALBU 134 " --> pdb=" O LEUBU 130 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N ASNBU 135 " --> pdb=" O GLUBU 131 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N ARGBU 140 " --> pdb=" O LYSBU 136 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N CYSBU 141 " --> pdb=" O METBU 137 " (cutoff:3.500A) Processing helix chain 'BU' and resid 146 through 158 removed outlier: 3.782A pdb=" N ALABU 150 " --> pdb=" O LYSBU 146 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N ILEBU 151 " --> pdb=" O TYRBU 147 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N GLYBU 152 " --> pdb=" O LYSBU 148 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N ALABU 154 " --> pdb=" O ALABU 150 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ARGBU 158 " --> pdb=" O ALABU 154 " (cutoff:3.500A) Processing helix chain 'BU' and resid 159 through 169 removed outlier: 3.676A pdb=" N LYSBU 165 " --> pdb=" O ASPBU 161 " (cutoff:3.500A) Processing helix chain 'BU' and resid 175 through 188 removed outlier: 3.966A pdb=" N LEUBU 181 " --> pdb=" O LEUBU 177 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYSBU 182 " --> pdb=" O ALABU 178 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N SERBU 186 " --> pdb=" O LYSBU 182 " (cutoff:3.500A) Processing helix chain 'BU' and resid 190 through 209 removed outlier: 4.221A pdb=" N ARGBU 194 " --> pdb=" O ASNBU 190 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N ASNBU 195 " --> pdb=" O LYSBU 191 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N LYSBU 196 " --> pdb=" O GLNBU 192 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N VALBU 200 " --> pdb=" O LYSBU 196 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N LEUBU 201 " --> pdb=" O VALBU 197 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N VALBU 202 " --> pdb=" O LEUBU 198 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N LYSBU 203 " --> pdb=" O ARGBU 199 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N GLUBU 209 " --> pdb=" O TYRBU 205 " (cutoff:3.500A) Processing helix chain 'BU' and resid 212 through 223 removed outlier: 4.603A pdb=" N VALBU 216 " --> pdb=" O ASPBU 212 " (cutoff:3.500A) Processing helix chain 'BU' and resid 225 through 240 removed outlier: 4.037A pdb=" N VALBU 229 " --> pdb=" O ASPBU 225 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ASPBU 231 " --> pdb=" O GLNBU 227 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N ILEBU 232 " --> pdb=" O ALABU 228 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N LEUBU 233 " --> pdb=" O VALBU 229 " (cutoff:3.500A) Processing helix chain 'BU' and resid 243 through 256 removed outlier: 4.195A pdb=" N GLNBU 247 " --> pdb=" O LEUBU 243 " (cutoff:3.500A) removed outlier: 4.610A pdb=" N ILEBU 248 " --> pdb=" O METBU 244 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N CYSBU 249 " --> pdb=" O ALABU 245 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N PHEBU 250 " --> pdb=" O TYRBU 246 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N ALABU 256 " --> pdb=" O LEUBU 252 " (cutoff:3.500A) Processing helix chain 'BU' and resid 257 through 270 removed outlier: 3.869A pdb=" N GLNBU 266 " --> pdb=" O SERBU 262 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N ASNBU 267 " --> pdb=" O SERBU 263 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N THRBU 270 " --> pdb=" O GLNBU 266 " (cutoff:3.500A) Processing helix chain 'BU' and resid 320 through 331 removed outlier: 3.875A pdb=" N METBU 325 " --> pdb=" O GLNBU 321 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ILEBU 326 " --> pdb=" O THRBU 322 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N LYSBU 327 " --> pdb=" O LEUBU 323 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ILEBU 328 " --> pdb=" O LYSBU 324 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N LEUBU 329 " --> pdb=" O METBU 325 " (cutoff:3.500A) Processing helix chain 'BU' and resid 332 through 346 Processing helix chain 'BU' and resid 349 through 360 removed outlier: 4.443A pdb=" N LEUBU 353 " --> pdb=" O ASPBU 349 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N ALABU 359 " --> pdb=" O ASNBU 355 " (cutoff:3.500A) removed outlier: 5.279A pdb=" N VALBU 360 " --> pdb=" O THRBU 356 " (cutoff:3.500A) Processing helix chain 'BU' and resid 364 through 378 removed outlier: 4.111A pdb=" N VALBU 370 " --> pdb=" O HISBU 366 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N PHEBU 375 " --> pdb=" O ILEBU 371 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N METBU 376 " --> pdb=" O ALABU 372 " (cutoff:3.500A) Processing helix chain 'BU' and resid 383 through 388 removed outlier: 5.087A pdb=" N ARGBU 387 " --> pdb=" O ASPBU 383 " (cutoff:3.500A) Processing helix chain 'BU' and resid 389 through 396 removed outlier: 4.152A pdb=" N LEUBU 393 " --> pdb=" O ASNBU 389 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N ALABU 396 " --> pdb=" O TRPBU 392 " (cutoff:3.500A) Processing helix chain 'BU' and resid 398 through 413 removed outlier: 4.321A pdb=" N PHEBU 402 " --> pdb=" O ASNBU 398 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N GLYBU 409 " --> pdb=" O THRBU 405 " (cutoff:3.500A) Processing helix chain 'BU' and resid 415 through 425 removed outlier: 5.136A pdb=" N LEUBU 420 " --> pdb=" O GLUBU 416 " (cutoff:3.500A) removed outlier: 5.182A pdb=" N GLNBU 421 " --> pdb=" O LYSBU 417 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N METBU 423 " --> pdb=" O ALABU 419 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ALABU 424 " --> pdb=" O LEUBU 420 " (cutoff:3.500A) removed outlier: 5.406A pdb=" N THRBU 425 " --> pdb=" O GLNBU 421 " (cutoff:3.500A) Processing helix chain 'BU' and resid 435 through 451 removed outlier: 4.243A pdb=" N GLUBU 439 " --> pdb=" O SERBU 435 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLYBU 442 " --> pdb=" O GLNBU 438 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N LEUBU 443 " --> pdb=" O GLUBU 439 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYRBU 444 " --> pdb=" O GLYBU 440 " (cutoff:3.500A) Processing helix chain 'BU' and resid 455 through 468 removed outlier: 4.209A pdb=" N ASPBU 459 " --> pdb=" O GLYBU 455 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ASNBU 463 " --> pdb=" O ASPBU 459 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLNBU 464 " --> pdb=" O TYRBU 460 " (cutoff:3.500A) removed outlier: 4.206A pdb=" N LYSBU 466 " --> pdb=" O LEUBU 462 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N ASNBU 467 " --> pdb=" O ASNBU 463 " (cutoff:3.500A) removed outlier: 5.025A pdb=" N ALABU 468 " --> pdb=" O GLNBU 464 " (cutoff:3.500A) Processing helix chain 'BU' and resid 470 through 486 removed outlier: 7.440A pdb=" N ARGBU 474 " --> pdb=" O ASNBU 470 " (cutoff:3.500A) removed outlier: 4.167A pdb=" N GLYBU 476 " --> pdb=" O ILEBU 472 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N LEUBU 479 " --> pdb=" O HISBU 475 " (cutoff:3.500A) Processing helix chain 'BU' and resid 490 through 504 removed outlier: 4.701A pdb=" N TYRBU 494 " --> pdb=" O ARGBU 490 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ASPBU 495 " --> pdb=" O GLNBU 491 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N LEUBU 496 " --> pdb=" O ASPBU 492 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N LYSBU 498 " --> pdb=" O TYRBU 494 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N THRBU 499 " --> pdb=" O ASPBU 495 " (cutoff:3.500A) removed outlier: 4.845A pdb=" N ASPBU 504 " --> pdb=" O ASNBU 500 " (cutoff:3.500A) Processing helix chain 'BU' and resid 506 through 521 removed outlier: 3.618A pdb=" N GLUBU 510 " --> pdb=" O ALABU 506 " (cutoff:3.500A) removed outlier: 4.596A pdb=" N ALABU 511 " --> pdb=" O VALBU 507 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLYBU 517 " --> pdb=" O GLYBU 513 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N METBU 520 " --> pdb=" O LEUBU 516 " (cutoff:3.500A) Processing helix chain 'BU' and resid 525 through 537 removed outlier: 4.338A pdb=" N ILEBU 529 " --> pdb=" O ASNBU 525 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N GLNBU 537 " --> pdb=" O VALBU 533 " (cutoff:3.500A) Processing helix chain 'BU' and resid 541 through 557 removed outlier: 3.824A pdb=" N LEUBU 545 " --> pdb=" O HISBU 541 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N METBU 556 " --> pdb=" O ILEBU 552 " (cutoff:3.500A) removed outlier: 4.787A pdb=" N TYRBU 557 " --> pdb=" O ALABU 553 " (cutoff:3.500A) Processing helix chain 'BU' and resid 560 through 573 removed outlier: 4.654A pdb=" N ASPBU 564 " --> pdb=" O METBU 560 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N ALABU 565 " --> pdb=" O GLUBU 561 " (cutoff:3.500A) removed outlier: 5.346A pdb=" N LEUBU 566 " --> pdb=" O GLUBU 562 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N SERBU 569 " --> pdb=" O ALABU 565 " (cutoff:3.500A) Processing helix chain 'BU' and resid 575 through 591 removed outlier: 3.721A pdb=" N METBU 583 " --> pdb=" O ARGBU 579 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N TYRBU 584 " --> pdb=" O ARGBU 580 " (cutoff:3.500A) Processing helix chain 'BU' and resid 595 through 609 removed outlier: 4.314A pdb=" N ILEBU 599 " --> pdb=" O ASNBU 595 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N ARGBU 600 " --> pdb=" O ASNBU 596 " (cutoff:3.500A) removed outlier: 4.470A pdb=" N ARGBU 601 " --> pdb=" O LYSBU 597 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N ASPBU 609 " --> pdb=" O VALBU 605 " (cutoff:3.500A) Processing helix chain 'BU' and resid 611 through 627 removed outlier: 3.691A pdb=" N VALBU 619 " --> pdb=" O ARGBU 615 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N SERBU 621 " --> pdb=" O ALABU 617 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N LEUBU 622 " --> pdb=" O ALABU 618 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N GLYBU 623 " --> pdb=" O VALBU 619 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N PHEBU 624 " --> pdb=" O GLUBU 620 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N PHEBU 627 " --> pdb=" O GLYBU 623 " (cutoff:3.500A) Processing helix chain 'BU' and resid 629 through 643 removed outlier: 4.523A pdb=" N CYSBU 633 " --> pdb=" O THRBU 629 " (cutoff:3.500A) Proline residue: BU 634 - end of helix removed outlier: 4.735A pdb=" N LEUBU 639 " --> pdb=" O SERBU 635 " (cutoff:3.500A) removed outlier: 4.575A pdb=" N LEUBU 640 " --> pdb=" O VALBU 636 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N GLUBU 642 " --> pdb=" O SERBU 638 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N SERBU 643 " --> pdb=" O LEUBU 639 " (cutoff:3.500A) Processing helix chain 'BU' and resid 645 through 660 removed outlier: 3.603A pdb=" N LEUBU 656 " --> pdb=" O ALABU 652 " (cutoff:3.500A) Processing helix chain 'BU' and resid 665 through 678 removed outlier: 3.945A pdb=" N ILEBU 669 " --> pdb=" O ASNBU 665 " (cutoff:3.500A) Proline residue: BU 674 - end of helix removed outlier: 4.289A pdb=" N ASNBU 677 " --> pdb=" O GLUBU 673 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N ASPBU 678 " --> pdb=" O PROBU 674 " (cutoff:3.500A) Processing helix chain 'BU' and resid 680 through 696 removed outlier: 3.942A pdb=" N ARGBU 684 " --> pdb=" O VALBU 680 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLNBU 685 " --> pdb=" O ASNBU 681 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N METBU 695 " --> pdb=" O SERBU 691 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ILEBU 696 " --> pdb=" O ALABU 692 " (cutoff:3.500A) Processing helix chain 'BU' and resid 699 through 704 removed outlier: 3.890A pdb=" N CYSBU 703 " --> pdb=" O THRBU 699 " (cutoff:3.500A) Proline residue: BU 704 - end of helix No H-bonds generated for 'chain 'BU' and resid 699 through 704' Processing helix chain 'BU' and resid 705 through 720 removed outlier: 3.707A pdb=" N LEUBU 712 " --> pdb=" O GLNBU 708 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N SERBU 714 " --> pdb=" O ARGBU 710 " (cutoff:3.500A) removed outlier: 5.850A pdb=" N LYSBU 720 " --> pdb=" O VALBU 716 " (cutoff:3.500A) Processing helix chain 'BU' and resid 723 through 739 removed outlier: 4.031A pdb=" N GLYBU 729 " --> pdb=" O METBU 725 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ALABU 730 " --> pdb=" O ALABU 726 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ILEBU 731 " --> pdb=" O LYSBU 727 " (cutoff:3.500A) Processing helix chain 'BU' and resid 756 through 768 removed outlier: 4.878A pdb=" N GLNBU 768 " --> pdb=" O LEUBU 764 " (cutoff:3.500A) Processing helix chain 'BU' and resid 772 through 783 removed outlier: 4.304A pdb=" N SERBU 776 " --> pdb=" O TRPBU 772 " (cutoff:3.500A) removed outlier: 4.650A pdb=" N HISBU 777 " --> pdb=" O PHEBU 773 " (cutoff:3.500A) removed outlier: 4.472A pdb=" N PHEBU 778 " --> pdb=" O PROBU 774 " (cutoff:3.500A) removed outlier: 4.655A pdb=" N LEUBU 779 " --> pdb=" O LEUBU 775 " (cutoff:3.500A) removed outlier: 4.965A pdb=" N SERBU 780 " --> pdb=" O SERBU 776 " (cutoff:3.500A) removed outlier: 4.640A pdb=" N LEUBU 781 " --> pdb=" O HISBU 777 " (cutoff:3.500A) removed outlier: 4.204A pdb=" N ALABU 782 " --> pdb=" O PHEBU 778 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N TYRBU 783 " --> pdb=" O LEUBU 779 " (cutoff:3.500A) No H-bonds generated for 'chain 'BU' and resid 772 through 783' Processing helix chain 'BU' and resid 807 through 812 removed outlier: 3.853A pdb=" N PHEBU 811 " --> pdb=" O LYSBU 807 " (cutoff:3.500A) Processing helix chain 'BU' and resid 885 through 892 removed outlier: 4.598A pdb=" N LYSBU 890 " --> pdb=" O PROBU 886 " (cutoff:3.500A) removed outlier: 4.885A pdb=" N VALBU 891 " --> pdb=" O ALABU 887 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LEUBU 892 " --> pdb=" O GLNBU 888 " (cutoff:3.500A) Processing helix chain 'AV' and resid 18 through 54 Proline residue: AV 26 - end of helix Proline residue: AV 29 - end of helix Proline residue: AV 32 - end of helix removed outlier: 4.172A pdb=" N METAV 37 " --> pdb=" O GLNAV 33 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N GLUAV 40 " --> pdb=" O GLUAV 36 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N ALAAV 41 " --> pdb=" O METAV 37 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLYAV 49 " --> pdb=" O GLYAV 45 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASPAV 52 " --> pdb=" O THRAV 48 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N GLYAV 53 " --> pdb=" O GLYAV 49 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N LYSAV 54 " --> pdb=" O GLUAV 50 " (cutoff:3.500A) Processing helix chain 'AV' and resid 60 through 76 removed outlier: 4.122A pdb=" N GLNAV 64 " --> pdb=" O ALAAV 60 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ILEAV 75 " --> pdb=" O THRAV 71 " (cutoff:3.500A) Processing helix chain 'AV' and resid 88 through 95 removed outlier: 3.876A pdb=" N VALAV 94 " --> pdb=" O GLUAV 90 " (cutoff:3.500A) Processing helix chain 'AV' and resid 101 through 121 removed outlier: 3.823A pdb=" N SERAV 105 " --> pdb=" O LEUAV 101 " (cutoff:3.500A) removed outlier: 4.956A pdb=" N ARGAV 106 " --> pdb=" O PROAV 102 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAV 107 " --> pdb=" O SERAV 103 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N VALAV 112 " --> pdb=" O LEUAV 108 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N LYSAV 115 " --> pdb=" O TYRAV 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ALAAV 116 " --> pdb=" O VALAV 112 " (cutoff:3.500A) Processing helix chain 'AV' and resid 128 through 142 removed outlier: 4.149A pdb=" N LEUAV 132 " --> pdb=" O ARGAV 128 " (cutoff:3.500A) Proline residue: AV 133 - end of helix Proline residue: AV 138 - end of helix removed outlier: 3.931A pdb=" N GLUAV 142 " --> pdb=" O PROAV 138 " (cutoff:3.500A) Processing helix chain 'AV' and resid 147 through 166 Proline residue: AV 158 - end of helix Proline residue: AV 161 - end of helix removed outlier: 4.635A pdb=" N GLUAV 164 " --> pdb=" O LEUAV 160 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ALAAV 165 " --> pdb=" O PROAV 161 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N TYRAV 166 " --> pdb=" O GLUAV 162 " (cutoff:3.500A) Processing helix chain 'AV' and resid 170 through 192 removed outlier: 4.080A pdb=" N PHEAV 174 " --> pdb=" O LEUAV 170 " (cutoff:3.500A) Processing helix chain 'AV' and resid 201 through 222 removed outlier: 4.270A pdb=" N LEUAV 205 " --> pdb=" O ARGAV 201 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N VALAV 206 " --> pdb=" O ALAAV 202 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N PHEAV 220 " --> pdb=" O ARGAV 216 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N LEUAV 221 " --> pdb=" O VALAV 217 " (cutoff:3.500A) Processing helix chain 'AV' and resid 224 through 241 removed outlier: 4.022A pdb=" N ARGAV 228 " --> pdb=" O LEUAV 224 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N SERAV 229 " --> pdb=" O ASPAV 225 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N THRAV 239 " --> pdb=" O LEUAV 235 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N LEUAV 240 " --> pdb=" O ARGAV 236 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N ARGAV 241 " --> pdb=" O THRAV 237 " (cutoff:3.500A) Processing helix chain 'AV' and resid 245 through 262 removed outlier: 3.704A pdb=" N THRAV 249 " --> pdb=" O ASPAV 245 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ASNAV 252 " --> pdb=" O ALAAV 248 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N ASNAV 257 " --> pdb=" O LEUAV 253 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N HISAV 260 " --> pdb=" O ARGAV 256 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N SERAV 262 " --> pdb=" O TYRAV 258 " (cutoff:3.500A) Processing helix chain 'AV' and resid 264 through 273 removed outlier: 3.530A pdb=" N GLUAV 268 " --> pdb=" O TYRAV 264 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N LYSAV 269 " --> pdb=" O ASPAV 265 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LEUAV 270 " --> pdb=" O GLNAV 266 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N VALAV 271 " --> pdb=" O ALAAV 267 " (cutoff:3.500A) Processing helix chain 'AV' and resid 281 through 300 removed outlier: 4.458A pdb=" N TRPAV 285 " --> pdb=" O ASNAV 281 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N ALAAV 286 " --> pdb=" O ASNAV 282 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N TYRAV 288 " --> pdb=" O GLUAV 284 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N GLNAV 299 " --> pdb=" O ILEAV 295 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N LEUAV 300 " --> pdb=" O LYSAV 296 " (cutoff:3.500A) Processing helix chain 'AV' and resid 301 through 317 removed outlier: 3.850A pdb=" N ARGAV 307 " --> pdb=" O SERAV 303 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N THRAV 308 " --> pdb=" O GLUAV 304 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N LEUAV 313 " --> pdb=" O METAV 309 " (cutoff:3.500A) Proline residue: AV 317 - end of helix Processing helix chain 'AV' and resid 322 through 340 removed outlier: 4.320A pdb=" N GLNAV 326 " --> pdb=" O VALAV 322 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N HISAV 329 " --> pdb=" O LYSAV 325 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ILEAV 333 " --> pdb=" O HISAV 329 " (cutoff:3.500A) removed outlier: 4.312A pdb=" N VALAV 334 " --> pdb=" O LYSAV 330 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N VALAV 335 " --> pdb=" O LEUAV 331 " (cutoff:3.500A) removed outlier: 4.241A pdb=" N GLUAV 336 " --> pdb=" O LEUAV 332 " (cutoff:3.500A) Processing helix chain 'AV' and resid 345 through 350 removed outlier: 3.817A pdb=" N ARGAV 349 " --> pdb=" O ARGAV 345 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAV 350 " --> pdb=" O LEUAV 346 " (cutoff:3.500A) No H-bonds generated for 'chain 'AV' and resid 345 through 350' Processing helix chain 'AV' and resid 351 through 358 removed outlier: 4.297A pdb=" N ARGAV 355 " --> pdb=" O PROAV 351 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N SERAV 356 " --> pdb=" O SERAV 352 " (cutoff:3.500A) Processing helix chain 'AV' and resid 359 through 370 removed outlier: 3.878A pdb=" N THRAV 369 " --> pdb=" O GLNAV 365 " (cutoff:3.500A) removed outlier: 5.376A pdb=" N GLYAV 370 " --> pdb=" O ALAAV 366 " (cutoff:3.500A) Processing helix chain 'AV' and resid 371 through 382 removed outlier: 3.587A pdb=" N PHEAV 375 " --> pdb=" O ASNAV 371 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N VALAV 378 " --> pdb=" O LYSAV 374 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N LEUAV 379 " --> pdb=" O PHEAV 375 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ASPAV 380 " --> pdb=" O ASNAV 376 " (cutoff:3.500A) Processing helix chain 'AV' and resid 383 through 390 removed outlier: 4.026A pdb=" N ALAAV 388 " --> pdb=" O GLUAV 384 " (cutoff:3.500A) Processing helix chain 'AV' and resid 391 through 414 removed outlier: 3.966A pdb=" N ILEAV 395 " --> pdb=" O THRAV 391 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N ILEAV 396 " --> pdb=" O TYRAV 392 " (cutoff:3.500A) removed outlier: 4.255A pdb=" N ARGAV 397 " --> pdb=" O THRAV 393 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N ARGAV 399 " --> pdb=" O ILEAV 395 " (cutoff:3.500A) removed outlier: 5.023A pdb=" N HISAV 400 " --> pdb=" O ILEAV 396 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N ASNAV 401 " --> pdb=" O ARGAV 397 " (cutoff:3.500A) Processing helix chain 'AV' and resid 418 through 427 removed outlier: 3.945A pdb=" N ALAAV 423 " --> pdb=" O LEUAV 419 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N GLNAV 424 " --> pdb=" O ALAAV 420 " (cutoff:3.500A) removed outlier: 4.522A pdb=" N LYSAV 425 " --> pdb=" O ASPAV 421 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N LEUAV 426 " --> pdb=" O ILEAV 422 " (cutoff:3.500A) Processing helix chain 'AV' and resid 430 through 445 removed outlier: 4.155A pdb=" N ALAAV 434 " --> pdb=" O SERAV 430 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLUAV 435 " --> pdb=" O PROAV 431 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N PHEAV 436 " --> pdb=" O GLUAV 432 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N VALAV 438 " --> pdb=" O ALAAV 434 " (cutoff:3.500A) Processing helix chain 'AV' and resid 466 through 497 removed outlier: 4.194A pdb=" N ARGAV 470 " --> pdb=" O ILEAV 466 " (cutoff:3.500A) Proline residue: AV 472 - end of helix removed outlier: 3.713A pdb=" N GLNAV 478 " --> pdb=" O LEUAV 474 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N SERAV 481 " --> pdb=" O HISAV 477 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N PHEAV 496 " --> pdb=" O LYSAV 492 " (cutoff:3.500A) Proline residue: AV 497 - end of helix Processing helix chain 'BV' and resid 18 through 54 Proline residue: BV 26 - end of helix Proline residue: BV 29 - end of helix Proline residue: BV 32 - end of helix removed outlier: 4.172A pdb=" N METBV 37 " --> pdb=" O GLNBV 33 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N GLUBV 40 " --> pdb=" O GLUBV 36 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N ALABV 41 " --> pdb=" O METBV 37 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLYBV 49 " --> pdb=" O GLYBV 45 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASPBV 52 " --> pdb=" O THRBV 48 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N GLYBV 53 " --> pdb=" O GLYBV 49 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N LYSBV 54 " --> pdb=" O GLUBV 50 " (cutoff:3.500A) Processing helix chain 'BV' and resid 60 through 76 removed outlier: 4.122A pdb=" N GLNBV 64 " --> pdb=" O ALABV 60 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILEBV 75 " --> pdb=" O THRBV 71 " (cutoff:3.500A) Processing helix chain 'BV' and resid 88 through 95 removed outlier: 3.875A pdb=" N VALBV 94 " --> pdb=" O GLUBV 90 " (cutoff:3.500A) Processing helix chain 'BV' and resid 101 through 121 removed outlier: 3.823A pdb=" N SERBV 105 " --> pdb=" O LEUBV 101 " (cutoff:3.500A) removed outlier: 4.956A pdb=" N ARGBV 106 " --> pdb=" O PROBV 102 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ARGBV 107 " --> pdb=" O SERBV 103 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N VALBV 112 " --> pdb=" O LEUBV 108 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N LYSBV 115 " --> pdb=" O TYRBV 111 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ALABV 116 " --> pdb=" O VALBV 112 " (cutoff:3.500A) Processing helix chain 'BV' and resid 128 through 142 removed outlier: 4.149A pdb=" N LEUBV 132 " --> pdb=" O ARGBV 128 " (cutoff:3.500A) Proline residue: BV 133 - end of helix Proline residue: BV 138 - end of helix removed outlier: 3.931A pdb=" N GLUBV 142 " --> pdb=" O PROBV 138 " (cutoff:3.500A) Processing helix chain 'BV' and resid 147 through 166 Proline residue: BV 158 - end of helix Proline residue: BV 161 - end of helix removed outlier: 4.635A pdb=" N GLUBV 164 " --> pdb=" O LEUBV 160 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ALABV 165 " --> pdb=" O PROBV 161 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N TYRBV 166 " --> pdb=" O GLUBV 162 " (cutoff:3.500A) Processing helix chain 'BV' and resid 170 through 192 removed outlier: 4.079A pdb=" N PHEBV 174 " --> pdb=" O LEUBV 170 " (cutoff:3.500A) Processing helix chain 'BV' and resid 201 through 222 removed outlier: 4.270A pdb=" N LEUBV 205 " --> pdb=" O ARGBV 201 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N VALBV 206 " --> pdb=" O ALABV 202 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N PHEBV 220 " --> pdb=" O ARGBV 216 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N LEUBV 221 " --> pdb=" O VALBV 217 " (cutoff:3.500A) Processing helix chain 'BV' and resid 224 through 241 removed outlier: 4.021A pdb=" N ARGBV 228 " --> pdb=" O LEUBV 224 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N SERBV 229 " --> pdb=" O ASPBV 225 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N THRBV 239 " --> pdb=" O LEUBV 235 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N LEUBV 240 " --> pdb=" O ARGBV 236 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N ARGBV 241 " --> pdb=" O THRBV 237 " (cutoff:3.500A) Processing helix chain 'BV' and resid 245 through 262 removed outlier: 3.704A pdb=" N THRBV 249 " --> pdb=" O ASPBV 245 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N ASNBV 252 " --> pdb=" O ALABV 248 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N ASNBV 257 " --> pdb=" O LEUBV 253 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N HISBV 260 " --> pdb=" O ARGBV 256 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N SERBV 262 " --> pdb=" O TYRBV 258 " (cutoff:3.500A) Processing helix chain 'BV' and resid 264 through 273 removed outlier: 3.530A pdb=" N GLUBV 268 " --> pdb=" O TYRBV 264 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N LYSBV 269 " --> pdb=" O ASPBV 265 " (cutoff:3.500A) removed outlier: 4.838A pdb=" N LEUBV 270 " --> pdb=" O GLNBV 266 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N VALBV 271 " --> pdb=" O ALABV 267 " (cutoff:3.500A) Processing helix chain 'BV' and resid 281 through 300 removed outlier: 4.458A pdb=" N TRPBV 285 " --> pdb=" O ASNBV 281 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N ALABV 286 " --> pdb=" O ASNBV 282 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N TYRBV 288 " --> pdb=" O GLUBV 284 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N GLNBV 299 " --> pdb=" O ILEBV 295 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N LEUBV 300 " --> pdb=" O LYSBV 296 " (cutoff:3.500A) Processing helix chain 'BV' and resid 301 through 317 removed outlier: 3.850A pdb=" N ARGBV 307 " --> pdb=" O SERBV 303 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N THRBV 308 " --> pdb=" O GLUBV 304 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N LEUBV 313 " --> pdb=" O METBV 309 " (cutoff:3.500A) Proline residue: BV 317 - end of helix Processing helix chain 'BV' and resid 322 through 340 removed outlier: 4.320A pdb=" N GLNBV 326 " --> pdb=" O VALBV 322 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N HISBV 329 " --> pdb=" O LYSBV 325 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ILEBV 333 " --> pdb=" O HISBV 329 " (cutoff:3.500A) removed outlier: 4.312A pdb=" N VALBV 334 " --> pdb=" O LYSBV 330 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N VALBV 335 " --> pdb=" O LEUBV 331 " (cutoff:3.500A) removed outlier: 4.241A pdb=" N GLUBV 336 " --> pdb=" O LEUBV 332 " (cutoff:3.500A) Processing helix chain 'BV' and resid 345 through 350 removed outlier: 3.818A pdb=" N ARGBV 349 " --> pdb=" O ARGBV 345 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNBV 350 " --> pdb=" O LEUBV 346 " (cutoff:3.500A) No H-bonds generated for 'chain 'BV' and resid 345 through 350' Processing helix chain 'BV' and resid 351 through 358 removed outlier: 4.297A pdb=" N ARGBV 355 " --> pdb=" O PROBV 351 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N SERBV 356 " --> pdb=" O SERBV 352 " (cutoff:3.500A) Processing helix chain 'BV' and resid 359 through 370 removed outlier: 3.878A pdb=" N THRBV 369 " --> pdb=" O GLNBV 365 " (cutoff:3.500A) removed outlier: 5.377A pdb=" N GLYBV 370 " --> pdb=" O ALABV 366 " (cutoff:3.500A) Processing helix chain 'BV' and resid 371 through 382 removed outlier: 3.587A pdb=" N PHEBV 375 " --> pdb=" O ASNBV 371 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N VALBV 378 " --> pdb=" O LYSBV 374 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N LEUBV 379 " --> pdb=" O PHEBV 375 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ASPBV 380 " --> pdb=" O ASNBV 376 " (cutoff:3.500A) Processing helix chain 'BV' and resid 383 through 390 removed outlier: 4.026A pdb=" N ALABV 388 " --> pdb=" O GLUBV 384 " (cutoff:3.500A) Processing helix chain 'BV' and resid 391 through 414 removed outlier: 3.966A pdb=" N ILEBV 395 " --> pdb=" O THRBV 391 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N ILEBV 396 " --> pdb=" O TYRBV 392 " (cutoff:3.500A) removed outlier: 4.255A pdb=" N ARGBV 397 " --> pdb=" O THRBV 393 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N ARGBV 399 " --> pdb=" O ILEBV 395 " (cutoff:3.500A) removed outlier: 5.023A pdb=" N HISBV 400 " --> pdb=" O ILEBV 396 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N ASNBV 401 " --> pdb=" O ARGBV 397 " (cutoff:3.500A) Processing helix chain 'BV' and resid 418 through 427 removed outlier: 3.944A pdb=" N ALABV 423 " --> pdb=" O LEUBV 419 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N GLNBV 424 " --> pdb=" O ALABV 420 " (cutoff:3.500A) removed outlier: 4.521A pdb=" N LYSBV 425 " --> pdb=" O ASPBV 421 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEUBV 426 " --> pdb=" O ILEBV 422 " (cutoff:3.500A) Processing helix chain 'BV' and resid 430 through 445 removed outlier: 4.155A pdb=" N ALABV 434 " --> pdb=" O SERBV 430 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLUBV 435 " --> pdb=" O PROBV 431 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N PHEBV 436 " --> pdb=" O GLUBV 432 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N VALBV 438 " --> pdb=" O ALABV 434 " (cutoff:3.500A) Processing helix chain 'BV' and resid 466 through 497 removed outlier: 4.194A pdb=" N ARGBV 470 " --> pdb=" O ILEBV 466 " (cutoff:3.500A) Proline residue: BV 472 - end of helix removed outlier: 3.713A pdb=" N GLNBV 478 " --> pdb=" O LEUBV 474 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N SERBV 481 " --> pdb=" O HISBV 477 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N PHEBV 496 " --> pdb=" O LYSBV 492 " (cutoff:3.500A) Proline residue: BV 497 - end of helix Processing helix chain 'AW' and resid 2 through 19 removed outlier: 3.745A pdb=" N GLUAW 7 " --> pdb=" O ASPAW 3 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N VALAW 14 " --> pdb=" O ASPAW 10 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N LYSAW 15 " --> pdb=" O GLYAW 11 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N METAW 16 " --> pdb=" O ARGAW 12 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N GLUAW 17 " --> pdb=" O ILEAW 13 " (cutoff:3.500A) Processing helix chain 'AW' and resid 20 through 38 removed outlier: 3.976A pdb=" N VALAW 24 " --> pdb=" O TYRAW 20 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LEUAW 28 " --> pdb=" O VALAW 24 " (cutoff:3.500A) Proline residue: AW 29 - end of helix removed outlier: 3.634A pdb=" N LEUAW 34 " --> pdb=" O GLUAW 30 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N ALAAW 35 " --> pdb=" O CYSAW 31 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N GLYAW 38 " --> pdb=" O LEUAW 34 " (cutoff:3.500A) Processing helix chain 'AW' and resid 42 through 63 removed outlier: 3.618A pdb=" N VALAW 61 " --> pdb=" O ALAAW 57 " (cutoff:3.500A) Processing helix chain 'AW' and resid 68 through 87 removed outlier: 4.522A pdb=" N LYSAW 72 " --> pdb=" O VALAW 68 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N METAW 73 " --> pdb=" O ALAAW 69 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ASNAW 86 " --> pdb=" O LEUAW 82 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N ILEAW 87 " --> pdb=" O LEUAW 83 " (cutoff:3.500A) Processing helix chain 'AW' and resid 94 through 115 removed outlier: 3.962A pdb=" N LYSAW 98 " --> pdb=" O ARGAW 94 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N GLNAW 99 " --> pdb=" O SERAW 95 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLUAW 113 " --> pdb=" O CYSAW 109 " (cutoff:3.500A) Processing helix chain 'AW' and resid 117 through 135 removed outlier: 3.654A pdb=" N LEUAW 122 " --> pdb=" O LEUAW 118 " (cutoff:3.500A) removed outlier: 4.689A pdb=" N ARGAW 129 " --> pdb=" O ILEAW 125 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N METAW 130 " --> pdb=" O ASPAW 126 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N VALAW 131 " --> pdb=" O THRAW 127 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N THRAW 132 " --> pdb=" O LEUAW 128 " (cutoff:3.500A) Processing helix chain 'AW' and resid 139 through 156 removed outlier: 3.771A pdb=" N ARGAW 144 " --> pdb=" O ILEAW 140 " (cutoff:3.500A) removed outlier: 4.242A pdb=" N LEUAW 145 " --> pdb=" O GLUAW 141 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N THRAW 146 " --> pdb=" O ARGAW 142 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N ALAAW 150 " --> pdb=" O THRAW 146 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N THRAW 151 " --> pdb=" O LYSAW 147 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILEAW 152 " --> pdb=" O THRAW 148 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LYSAW 153 " --> pdb=" O LEUAW 149 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N GLNAW 155 " --> pdb=" O THRAW 151 " (cutoff:3.500A) Processing helix chain 'AW' and resid 158 through 176 removed outlier: 3.730A pdb=" N ILEAW 165 " --> pdb=" O GLUAW 161 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N LEUAW 166 " --> pdb=" O ALAAW 162 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLNAW 167 " --> pdb=" O ALAAW 163 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N GLUAW 168 " --> pdb=" O SERAW 164 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N GLNAW 170 " --> pdb=" O LEUAW 166 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N VALAW 171 " --> pdb=" O GLNAW 167 " (cutoff:3.500A) removed outlier: 4.329A pdb=" N GLUAW 172 " --> pdb=" O GLUAW 168 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N THRAW 173 " --> pdb=" O LEUAW 169 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N TYRAW 174 " --> pdb=" O GLNAW 170 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N GLYAW 175 " --> pdb=" O VALAW 171 " (cutoff:3.500A) Processing helix chain 'AW' and resid 179 through 197 removed outlier: 4.546A pdb=" N VALAW 183 " --> pdb=" O LYSAW 179 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N GLUAW 188 " --> pdb=" O GLUAW 184 " (cutoff:3.500A) removed outlier: 4.402A pdb=" N GLNAW 189 " --> pdb=" O PHEAW 185 " (cutoff:3.500A) removed outlier: 5.218A pdb=" N METAW 190 " --> pdb=" O ILEAW 186 " (cutoff:3.500A) removed outlier: 4.157A pdb=" N ARGAW 191 " --> pdb=" O LEUAW 187 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N LEUAW 192 " --> pdb=" O GLUAW 188 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N ALAAW 195 " --> pdb=" O ARGAW 191 " (cutoff:3.500A) Processing helix chain 'AW' and resid 198 through 213 removed outlier: 3.735A pdb=" N THRAW 202 " --> pdb=" O ASPAW 198 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ILEAW 204 " --> pdb=" O ILEAW 200 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILEAW 209 " --> pdb=" O ILEAW 205 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N ASNAW 210 " --> pdb=" O SERAW 206 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N THRAW 211 " --> pdb=" O LYSAW 207 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N LYSAW 212 " --> pdb=" O LYSAW 208 " (cutoff:3.500A) Processing helix chain 'AW' and resid 220 through 238 removed outlier: 7.619A pdb=" N LEUAW 224 " --> pdb=" O GLUAW 220 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N LYSAW 225 " --> pdb=" O LYSAW 221 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N TYRAW 227 " --> pdb=" O LYSAW 223 " (cutoff:3.500A) removed outlier: 4.535A pdb=" N ASNAW 228 " --> pdb=" O LEUAW 224 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N LEUAW 229 " --> pdb=" O LYSAW 225 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N GLNAW 232 " --> pdb=" O ASNAW 228 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N LEUAW 233 " --> pdb=" O LEUAW 229 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N GLUAW 237 " --> pdb=" O LEUAW 233 " (cutoff:3.500A) removed outlier: 4.781A pdb=" N GLYAW 238 " --> pdb=" O ASPAW 234 " (cutoff:3.500A) Processing helix chain 'AW' and resid 241 through 258 removed outlier: 4.017A pdb=" N LYSAW 245 " --> pdb=" O LEUAW 241 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N HISAW 246 " --> pdb=" O SERAW 242 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N ARGAW 248 " --> pdb=" O CYSAW 244 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ALAAW 249 " --> pdb=" O LYSAW 245 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASPAW 252 " --> pdb=" O ARGAW 248 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N THRAW 253 " --> pdb=" O ALAAW 249 " (cutoff:3.500A) Proline residue: AW 254 - end of helix removed outlier: 4.775A pdb=" N ALAAW 258 " --> pdb=" O PROAW 254 " (cutoff:3.500A) Processing helix chain 'AW' and resid 259 through 278 removed outlier: 4.305A pdb=" N TRPAW 263 " --> pdb=" O GLUAW 259 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LYSAW 268 " --> pdb=" O GLNAW 264 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N TYRAW 273 " --> pdb=" O SERAW 269 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N VALAW 274 " --> pdb=" O VALAW 270 " (cutoff:3.500A) removed outlier: 5.492A pdb=" N ILEAW 275 " --> pdb=" O VALAW 271 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N LEUAW 276 " --> pdb=" O LEUAW 272 " (cutoff:3.500A) Proline residue: AW 278 - end of helix Processing helix chain 'AW' and resid 280 through 292 removed outlier: 3.628A pdb=" N ASPAW 285 " --> pdb=" O ASNAW 281 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N HISAW 288 " --> pdb=" O SERAW 284 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ARGAW 289 " --> pdb=" O ASPAW 285 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ILEAW 290 " --> pdb=" O LEUAW 286 " (cutoff:3.500A) removed outlier: 5.315A pdb=" N GLYAW 292 " --> pdb=" O HISAW 288 " (cutoff:3.500A) Processing helix chain 'AW' and resid 293 through 298 removed outlier: 4.161A pdb=" N GLUAW 297 " --> pdb=" O ASPAW 293 " (cutoff:3.500A) removed outlier: 5.052A pdb=" N GLUAW 298 " --> pdb=" O LYSAW 294 " (cutoff:3.500A) No H-bonds generated for 'chain 'AW' and resid 293 through 298' Processing helix chain 'AW' and resid 299 through 311 removed outlier: 3.977A pdb=" N LYSAW 303 " --> pdb=" O ILEAW 299 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N ASPAW 304 " --> pdb=" O PROAW 300 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N PHEAW 309 " --> pdb=" O LEUAW 305 " (cutoff:3.500A) removed outlier: 5.529A pdb=" N THRAW 311 " --> pdb=" O LYSAW 307 " (cutoff:3.500A) Processing helix chain 'AW' and resid 316 through 330 removed outlier: 3.905A pdb=" N METAW 326 " --> pdb=" O GLUAW 322 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N GLUAW 327 " --> pdb=" O ASPAW 323 " (cutoff:3.500A) removed outlier: 4.871A pdb=" N LEUAW 328 " --> pdb=" O TYRAW 324 " (cutoff:3.500A) removed outlier: 4.764A pdb=" N ARGAW 329 " --> pdb=" O GLYAW 325 " (cutoff:3.500A) Processing helix chain 'AW' and resid 334 through 341 Processing helix chain 'AW' and resid 343 through 370 removed outlier: 3.553A pdb=" N ARGAW 364 " --> pdb=" O GLUAW 360 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ILEAW 365 " --> pdb=" O HISAW 361 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N METAW 366 " --> pdb=" O ASNAW 362 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N LYSAW 368 " --> pdb=" O ARGAW 364 " (cutoff:3.500A) Processing helix chain 'AW' and resid 374 through 383 removed outlier: 3.521A pdb=" N METAW 378 " --> pdb=" O THRAW 374 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N GLNAW 380 " --> pdb=" O LYSAW 376 " (cutoff:3.500A) Processing helix chain 'AW' and resid 385 through 400 Processing helix chain 'AW' and resid 423 through 456 removed outlier: 4.266A pdb=" N SERAW 437 " --> pdb=" O ASNAW 433 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N LEUAW 438 " --> pdb=" O SERAW 434 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N THRAW 442 " --> pdb=" O LEUAW 438 " (cutoff:3.500A) removed outlier: 4.067A pdb=" N THRAW 443 " --> pdb=" O VALAW 439 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N ILEAW 446 " --> pdb=" O THRAW 442 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N ALAAW 447 " --> pdb=" O THRAW 443 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N LEUAW 455 " --> pdb=" O METAW 451 " (cutoff:3.500A) Processing helix chain 'BW' and resid 2 through 19 removed outlier: 3.745A pdb=" N GLUBW 7 " --> pdb=" O ASPBW 3 " (cutoff:3.500A) removed outlier: 4.544A pdb=" N VALBW 14 " --> pdb=" O ASPBW 10 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N LYSBW 15 " --> pdb=" O GLYBW 11 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N METBW 16 " --> pdb=" O ARGBW 12 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N GLUBW 17 " --> pdb=" O ILEBW 13 " (cutoff:3.500A) Processing helix chain 'BW' and resid 20 through 38 removed outlier: 3.976A pdb=" N VALBW 24 " --> pdb=" O TYRBW 20 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N LEUBW 28 " --> pdb=" O VALBW 24 " (cutoff:3.500A) Proline residue: BW 29 - end of helix removed outlier: 3.634A pdb=" N LEUBW 34 " --> pdb=" O GLUBW 30 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N ALABW 35 " --> pdb=" O CYSBW 31 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N GLYBW 38 " --> pdb=" O LEUBW 34 " (cutoff:3.500A) Processing helix chain 'BW' and resid 42 through 63 removed outlier: 3.618A pdb=" N VALBW 61 " --> pdb=" O ALABW 57 " (cutoff:3.500A) Processing helix chain 'BW' and resid 68 through 87 removed outlier: 4.522A pdb=" N LYSBW 72 " --> pdb=" O VALBW 68 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N METBW 73 " --> pdb=" O ALABW 69 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ASNBW 86 " --> pdb=" O LEUBW 82 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N ILEBW 87 " --> pdb=" O LEUBW 83 " (cutoff:3.500A) Processing helix chain 'BW' and resid 94 through 115 removed outlier: 3.962A pdb=" N LYSBW 98 " --> pdb=" O ARGBW 94 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N GLNBW 99 " --> pdb=" O SERBW 95 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N GLUBW 113 " --> pdb=" O CYSBW 109 " (cutoff:3.500A) Processing helix chain 'BW' and resid 117 through 135 removed outlier: 3.653A pdb=" N LEUBW 122 " --> pdb=" O LEUBW 118 " (cutoff:3.500A) removed outlier: 4.689A pdb=" N ARGBW 129 " --> pdb=" O ILEBW 125 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N METBW 130 " --> pdb=" O ASPBW 126 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N VALBW 131 " --> pdb=" O THRBW 127 " (cutoff:3.500A) removed outlier: 4.200A pdb=" N THRBW 132 " --> pdb=" O LEUBW 128 " (cutoff:3.500A) Processing helix chain 'BW' and resid 139 through 156 removed outlier: 3.771A pdb=" N ARGBW 144 " --> pdb=" O ILEBW 140 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N LEUBW 145 " --> pdb=" O GLUBW 141 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N THRBW 146 " --> pdb=" O ARGBW 142 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N ALABW 150 " --> pdb=" O THRBW 146 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N THRBW 151 " --> pdb=" O LYSBW 147 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILEBW 152 " --> pdb=" O THRBW 148 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LYSBW 153 " --> pdb=" O LEUBW 149 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N GLNBW 155 " --> pdb=" O THRBW 151 " (cutoff:3.500A) Processing helix chain 'BW' and resid 158 through 176 removed outlier: 3.730A pdb=" N ILEBW 165 " --> pdb=" O GLUBW 161 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEUBW 166 " --> pdb=" O ALABW 162 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N GLNBW 167 " --> pdb=" O ALABW 163 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N GLUBW 168 " --> pdb=" O SERBW 164 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N GLNBW 170 " --> pdb=" O LEUBW 166 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N VALBW 171 " --> pdb=" O GLNBW 167 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N GLUBW 172 " --> pdb=" O GLUBW 168 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N THRBW 173 " --> pdb=" O LEUBW 169 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N TYRBW 174 " --> pdb=" O GLNBW 170 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N GLYBW 175 " --> pdb=" O VALBW 171 " (cutoff:3.500A) Processing helix chain 'BW' and resid 179 through 197 removed outlier: 4.546A pdb=" N VALBW 183 " --> pdb=" O LYSBW 179 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N GLUBW 188 " --> pdb=" O GLUBW 184 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N GLNBW 189 " --> pdb=" O PHEBW 185 " (cutoff:3.500A) removed outlier: 5.218A pdb=" N METBW 190 " --> pdb=" O ILEBW 186 " (cutoff:3.500A) removed outlier: 4.157A pdb=" N ARGBW 191 " --> pdb=" O LEUBW 187 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N LEUBW 192 " --> pdb=" O GLUBW 188 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N ALABW 195 " --> pdb=" O ARGBW 191 " (cutoff:3.500A) Processing helix chain 'BW' and resid 198 through 213 removed outlier: 3.734A pdb=" N THRBW 202 " --> pdb=" O ASPBW 198 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ILEBW 204 " --> pdb=" O ILEBW 200 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILEBW 209 " --> pdb=" O ILEBW 205 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N ASNBW 210 " --> pdb=" O SERBW 206 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N THRBW 211 " --> pdb=" O LYSBW 207 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N LYSBW 212 " --> pdb=" O LYSBW 208 " (cutoff:3.500A) Processing helix chain 'BW' and resid 220 through 238 removed outlier: 7.618A pdb=" N LEUBW 224 " --> pdb=" O GLUBW 220 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N LYSBW 225 " --> pdb=" O LYSBW 221 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N TYRBW 227 " --> pdb=" O LYSBW 223 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N ASNBW 228 " --> pdb=" O LEUBW 224 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N LEUBW 229 " --> pdb=" O LYSBW 225 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N GLNBW 232 " --> pdb=" O ASNBW 228 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N LEUBW 233 " --> pdb=" O LEUBW 229 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N GLUBW 237 " --> pdb=" O LEUBW 233 " (cutoff:3.500A) removed outlier: 4.781A pdb=" N GLYBW 238 " --> pdb=" O ASPBW 234 " (cutoff:3.500A) Processing helix chain 'BW' and resid 241 through 258 removed outlier: 4.017A pdb=" N LYSBW 245 " --> pdb=" O LEUBW 241 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N HISBW 246 " --> pdb=" O SERBW 242 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N ARGBW 248 " --> pdb=" O CYSBW 244 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ALABW 249 " --> pdb=" O LYSBW 245 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASPBW 252 " --> pdb=" O ARGBW 248 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N THRBW 253 " --> pdb=" O ALABW 249 " (cutoff:3.500A) Proline residue: BW 254 - end of helix removed outlier: 4.775A pdb=" N ALABW 258 " --> pdb=" O PROBW 254 " (cutoff:3.500A) Processing helix chain 'BW' and resid 259 through 278 removed outlier: 4.305A pdb=" N TRPBW 263 " --> pdb=" O GLUBW 259 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LYSBW 268 " --> pdb=" O GLNBW 264 " (cutoff:3.500A) removed outlier: 4.156A pdb=" N TYRBW 273 " --> pdb=" O SERBW 269 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N VALBW 274 " --> pdb=" O VALBW 270 " (cutoff:3.500A) removed outlier: 5.492A pdb=" N ILEBW 275 " --> pdb=" O VALBW 271 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LEUBW 276 " --> pdb=" O LEUBW 272 " (cutoff:3.500A) Proline residue: BW 278 - end of helix Processing helix chain 'BW' and resid 280 through 292 removed outlier: 3.628A pdb=" N ASPBW 285 " --> pdb=" O ASNBW 281 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N HISBW 288 " --> pdb=" O SERBW 284 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ARGBW 289 " --> pdb=" O ASPBW 285 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ILEBW 290 " --> pdb=" O LEUBW 286 " (cutoff:3.500A) removed outlier: 5.314A pdb=" N GLYBW 292 " --> pdb=" O HISBW 288 " (cutoff:3.500A) Processing helix chain 'BW' and resid 293 through 298 removed outlier: 4.161A pdb=" N GLUBW 297 " --> pdb=" O ASPBW 293 " (cutoff:3.500A) removed outlier: 5.051A pdb=" N GLUBW 298 " --> pdb=" O LYSBW 294 " (cutoff:3.500A) No H-bonds generated for 'chain 'BW' and resid 293 through 298' Processing helix chain 'BW' and resid 299 through 311 removed outlier: 3.977A pdb=" N LYSBW 303 " --> pdb=" O ILEBW 299 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N ASPBW 304 " --> pdb=" O PROBW 300 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N PHEBW 309 " --> pdb=" O LEUBW 305 " (cutoff:3.500A) removed outlier: 5.529A pdb=" N THRBW 311 " --> pdb=" O LYSBW 307 " (cutoff:3.500A) Processing helix chain 'BW' and resid 316 through 330 removed outlier: 3.905A pdb=" N METBW 326 " --> pdb=" O GLUBW 322 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N GLUBW 327 " --> pdb=" O ASPBW 323 " (cutoff:3.500A) removed outlier: 4.872A pdb=" N LEUBW 328 " --> pdb=" O TYRBW 324 " (cutoff:3.500A) removed outlier: 4.764A pdb=" N ARGBW 329 " --> pdb=" O GLYBW 325 " (cutoff:3.500A) Processing helix chain 'BW' and resid 334 through 341 Processing helix chain 'BW' and resid 343 through 370 removed outlier: 3.553A pdb=" N ARGBW 364 " --> pdb=" O GLUBW 360 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ILEBW 365 " --> pdb=" O HISBW 361 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N METBW 366 " --> pdb=" O ASNBW 362 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N LYSBW 368 " --> pdb=" O ARGBW 364 " (cutoff:3.500A) Processing helix chain 'BW' and resid 374 through 383 removed outlier: 3.522A pdb=" N METBW 378 " --> pdb=" O THRBW 374 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N GLNBW 380 " --> pdb=" O LYSBW 376 " (cutoff:3.500A) Processing helix chain 'BW' and resid 385 through 400 Processing helix chain 'BW' and resid 423 through 456 removed outlier: 4.266A pdb=" N SERBW 437 " --> pdb=" O ASNBW 433 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N LEUBW 438 " --> pdb=" O SERBW 434 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N THRBW 442 " --> pdb=" O LEUBW 438 " (cutoff:3.500A) removed outlier: 4.067A pdb=" N THRBW 443 " --> pdb=" O VALBW 439 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N ILEBW 446 " --> pdb=" O THRBW 442 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N ALABW 447 " --> pdb=" O THRBW 443 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N LEUBW 455 " --> pdb=" O METBW 451 " (cutoff:3.500A) Processing helix chain 'AX' and resid 43 through 61 removed outlier: 3.804A pdb=" N SERAX 49 " --> pdb=" O VALAX 45 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ILEAX 50 " --> pdb=" O LYSAX 46 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N LEUAX 51 " --> pdb=" O GLUAX 47 " (cutoff:3.500A) Processing helix chain 'AX' and resid 62 through 81 removed outlier: 5.164A pdb=" N LEUAX 66 " --> pdb=" O GLNAX 62 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N GLYAX 67 " --> pdb=" O ALAAX 63 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N LEUAX 69 " --> pdb=" O GLUAX 65 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N LYSAX 71 " --> pdb=" O GLYAX 67 " (cutoff:3.500A) Proline residue: AX 75 - end of helix removed outlier: 3.758A pdb=" N ASNAX 78 " --> pdb=" O ARGAX 74 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N SERAX 79 " --> pdb=" O PROAX 75 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N ILEAX 80 " --> pdb=" O PHEAX 76 " (cutoff:3.500A) removed outlier: 5.416A pdb=" N SERAX 81 " --> pdb=" O LEUAX 77 " (cutoff:3.500A) Processing helix chain 'AX' and resid 82 through 100 removed outlier: 3.741A pdb=" N ARGAX 87 " --> pdb=" O ALAAX 83 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N METAX 99 " --> pdb=" O LEUAX 95 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N GLUAX 100 " --> pdb=" O PHEAX 96 " (cutoff:3.500A) Processing helix chain 'AX' and resid 102 through 121 removed outlier: 4.017A pdb=" N VALAX 107 " --> pdb=" O THRAX 103 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N GLUAX 108 " --> pdb=" O GLYAX 104 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N LEUAX 111 " --> pdb=" O VALAX 107 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N GLUAX 112 " --> pdb=" O GLUAX 108 " (cutoff:3.500A) Processing helix chain 'AX' and resid 122 through 141 removed outlier: 4.187A pdb=" N ARGAX 126 " --> pdb=" O ARGAX 122 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N ALAAX 128 " --> pdb=" O PHEAX 124 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N SERAX 135 " --> pdb=" O ALAAX 131 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N ASPAX 139 " --> pdb=" O SERAX 135 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N THRAX 140 " --> pdb=" O LEUAX 136 " (cutoff:3.500A) Processing helix chain 'AX' and resid 143 through 161 removed outlier: 3.997A pdb=" N LEUAX 147 " --> pdb=" O TYRAX 143 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLYAX 150 " --> pdb=" O ALAAX 146 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N SERAX 151 " --> pdb=" O LEUAX 147 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N GLNAX 152 " --> pdb=" O HISAX 148 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ARGAX 155 " --> pdb=" O SERAX 151 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N GLUAX 156 " --> pdb=" O GLNAX 152 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYSAX 159 " --> pdb=" O ARGAX 155 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N METAX 160 " --> pdb=" O GLUAX 156 " (cutoff:3.500A) removed outlier: 4.905A pdb=" N ASPAX 161 " --> pdb=" O LEUAX 157 " (cutoff:3.500A) Processing helix chain 'AX' and resid 163 through 181 removed outlier: 4.469A pdb=" N VALAX 167 " --> pdb=" O LYSAX 163 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N GLUAX 168 " --> pdb=" O ALAAX 164 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N LEUAX 172 " --> pdb=" O GLUAX 168 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LYSAX 175 " --> pdb=" O LEUAX 171 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N THRAX 176 " --> pdb=" O LEUAX 172 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N TYRAX 177 " --> pdb=" O GLUAX 173 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N HISAX 178 " --> pdb=" O SERAX 174 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ALAAX 179 " --> pdb=" O LYSAX 175 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N SERAX 181 " --> pdb=" O TYRAX 177 " (cutoff:3.500A) Processing helix chain 'AX' and resid 182 through 200 removed outlier: 3.863A pdb=" N ALAAX 186 " --> pdb=" O ASNAX 182 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N SERAX 192 " --> pdb=" O ALAAX 188 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALAAX 193 " --> pdb=" O ALAAX 189 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N THRAX 195 " --> pdb=" O THRAX 191 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N ASNAX 198 " --> pdb=" O ARGAX 194 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N ALAAX 199 " --> pdb=" O THRAX 195 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ILEAX 200 " --> pdb=" O THRAX 196 " (cutoff:3.500A) Processing helix chain 'AX' and resid 205 through 222 removed outlier: 5.581A pdb=" N THRAX 209 " --> pdb=" O LYSAX 205 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N METAX 212 " --> pdb=" O ALAAX 208 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLNAX 213 " --> pdb=" O THRAX 209 " (cutoff:3.500A) Processing helix chain 'AX' and resid 224 through 240 removed outlier: 4.092A pdb=" N ALAAX 228 " --> pdb=" O ASPAX 224 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N TYRAX 229 " --> pdb=" O TRPAX 225 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N PHEAX 232 " --> pdb=" O ALAAX 228 " (cutoff:3.500A) Processing helix chain 'AX' and resid 243 through 262 removed outlier: 3.550A pdb=" N THRAX 249 " --> pdb=" O PROAX 245 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N LEUAX 251 " --> pdb=" O ALAAX 247 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N LYSAX 252 " --> pdb=" O ILEAX 248 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N TYRAX 253 " --> pdb=" O THRAX 249 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N METAX 254 " --> pdb=" O SERAX 250 " (cutoff:3.500A) Processing helix chain 'AX' and resid 263 through 273 removed outlier: 4.363A pdb=" N VALAX 267 " --> pdb=" O THRAX 263 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N GLNAX 268 " --> pdb=" O PROAX 264 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N ALAAX 269 " --> pdb=" O GLUAX 265 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N GLYAX 273 " --> pdb=" O ALAAX 269 " (cutoff:3.500A) Processing helix chain 'AX' and resid 274 through 280 removed outlier: 4.015A pdb=" N ARGAX 278 " --> pdb=" O LYSAX 274 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N TYRAX 279 " --> pdb=" O LEUAX 275 " (cutoff:3.500A) Processing helix chain 'AX' and resid 281 through 297 removed outlier: 3.540A pdb=" N GLUAX 285 " --> pdb=" O GLYAX 281 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ALAAX 286 " --> pdb=" O ARGAX 282 " (cutoff:3.500A) Processing helix chain 'AX' and resid 298 through 310 removed outlier: 3.558A pdb=" N THRAX 307 " --> pdb=" O GLUAX 303 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N ASPAX 308 " --> pdb=" O LYSAX 304 " (cutoff:3.500A) Processing helix chain 'AX' and resid 311 through 316 removed outlier: 4.239A pdb=" N ASPAX 315 " --> pdb=" O ALAAX 311 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N ASPAX 316 " --> pdb=" O GLUAX 312 " (cutoff:3.500A) No H-bonds generated for 'chain 'AX' and resid 311 through 316' Processing helix chain 'AX' and resid 318 through 343 removed outlier: 4.316A pdb=" N HISAX 322 " --> pdb=" O ILEAX 318 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEUAX 323 " --> pdb=" O ILEAX 319 " (cutoff:3.500A) removed outlier: 4.289A pdb=" N GLUAX 332 " --> pdb=" O ASPAX 328 " (cutoff:3.500A) removed outlier: 4.267A pdb=" N ARGAX 337 " --> pdb=" O GLNAX 333 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N VALAX 338 " --> pdb=" O ASNAX 334 " (cutoff:3.500A) Proline residue: AX 341 - end of helix Processing helix chain 'AX' and resid 346 through 355 removed outlier: 3.707A pdb=" N ILEAX 350 " --> pdb=" O GLNAX 346 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N SERAX 352 " --> pdb=" O GLUAX 348 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N LEUAX 353 " --> pdb=" O HISAX 349 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ILEAX 354 " --> pdb=" O ILEAX 350 " (cutoff:3.500A) Processing helix chain 'AX' and resid 357 through 372 removed outlier: 3.724A pdb=" N VALAX 361 " --> pdb=" O SERAX 357 " (cutoff:3.500A) Processing helix chain 'AX' and resid 393 through 422 removed outlier: 3.827A pdb=" N ALAAX 399 " --> pdb=" O LYSAX 395 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N GLUAX 402 " --> pdb=" O GLUAX 398 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N GLNAX 405 " --> pdb=" O LEUAX 401 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N SERAX 408 " --> pdb=" O ILEAX 404 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N TYRAX 415 " --> pdb=" O VALAX 411 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N ASNAX 416 " --> pdb=" O ASPAX 412 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LEUAX 421 " --> pdb=" O LYSAX 417 " (cutoff:3.500A) Processing helix chain 'BX' and resid 43 through 61 removed outlier: 3.804A pdb=" N SERBX 49 " --> pdb=" O VALBX 45 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ILEBX 50 " --> pdb=" O LYSBX 46 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N LEUBX 51 " --> pdb=" O GLUBX 47 " (cutoff:3.500A) Processing helix chain 'BX' and resid 62 through 81 removed outlier: 5.164A pdb=" N LEUBX 66 " --> pdb=" O GLNBX 62 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N GLYBX 67 " --> pdb=" O ALABX 63 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N LEUBX 69 " --> pdb=" O GLUBX 65 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N LYSBX 71 " --> pdb=" O GLYBX 67 " (cutoff:3.500A) Proline residue: BX 75 - end of helix removed outlier: 3.758A pdb=" N ASNBX 78 " --> pdb=" O ARGBX 74 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N SERBX 79 " --> pdb=" O PROBX 75 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N ILEBX 80 " --> pdb=" O PHEBX 76 " (cutoff:3.500A) removed outlier: 5.416A pdb=" N SERBX 81 " --> pdb=" O LEUBX 77 " (cutoff:3.500A) Processing helix chain 'BX' and resid 82 through 100 removed outlier: 3.740A pdb=" N ARGBX 87 " --> pdb=" O ALABX 83 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N METBX 99 " --> pdb=" O LEUBX 95 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N GLUBX 100 " --> pdb=" O PHEBX 96 " (cutoff:3.500A) Processing helix chain 'BX' and resid 102 through 121 removed outlier: 4.017A pdb=" N VALBX 107 " --> pdb=" O THRBX 103 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N GLUBX 108 " --> pdb=" O GLYBX 104 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N LEUBX 111 " --> pdb=" O VALBX 107 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N GLUBX 112 " --> pdb=" O GLUBX 108 " (cutoff:3.500A) Processing helix chain 'BX' and resid 122 through 141 removed outlier: 4.187A pdb=" N ARGBX 126 " --> pdb=" O ARGBX 122 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N ALABX 128 " --> pdb=" O PHEBX 124 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N SERBX 135 " --> pdb=" O ALABX 131 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N ASPBX 139 " --> pdb=" O SERBX 135 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N THRBX 140 " --> pdb=" O LEUBX 136 " (cutoff:3.500A) Processing helix chain 'BX' and resid 143 through 161 removed outlier: 3.997A pdb=" N LEUBX 147 " --> pdb=" O TYRBX 143 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N GLYBX 150 " --> pdb=" O ALABX 146 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N SERBX 151 " --> pdb=" O LEUBX 147 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N GLNBX 152 " --> pdb=" O HISBX 148 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ARGBX 155 " --> pdb=" O SERBX 151 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N GLUBX 156 " --> pdb=" O GLNBX 152 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N LYSBX 159 " --> pdb=" O ARGBX 155 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N METBX 160 " --> pdb=" O GLUBX 156 " (cutoff:3.500A) removed outlier: 4.906A pdb=" N ASPBX 161 " --> pdb=" O LEUBX 157 " (cutoff:3.500A) Processing helix chain 'BX' and resid 163 through 181 removed outlier: 4.469A pdb=" N VALBX 167 " --> pdb=" O LYSBX 163 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N GLUBX 168 " --> pdb=" O ALABX 164 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N LEUBX 172 " --> pdb=" O GLUBX 168 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N LYSBX 175 " --> pdb=" O LEUBX 171 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N THRBX 176 " --> pdb=" O LEUBX 172 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N TYRBX 177 " --> pdb=" O GLUBX 173 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N HISBX 178 " --> pdb=" O SERBX 174 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ALABX 179 " --> pdb=" O LYSBX 175 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N SERBX 181 " --> pdb=" O TYRBX 177 " (cutoff:3.500A) Processing helix chain 'BX' and resid 182 through 200 removed outlier: 3.864A pdb=" N ALABX 186 " --> pdb=" O ASNBX 182 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N SERBX 192 " --> pdb=" O ALABX 188 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N ALABX 193 " --> pdb=" O ALABX 189 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N THRBX 195 " --> pdb=" O THRBX 191 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N ASNBX 198 " --> pdb=" O ARGBX 194 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N ALABX 199 " --> pdb=" O THRBX 195 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ILEBX 200 " --> pdb=" O THRBX 196 " (cutoff:3.500A) Processing helix chain 'BX' and resid 205 through 222 removed outlier: 5.582A pdb=" N THRBX 209 " --> pdb=" O LYSBX 205 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N METBX 212 " --> pdb=" O ALABX 208 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNBX 213 " --> pdb=" O THRBX 209 " (cutoff:3.500A) Processing helix chain 'BX' and resid 224 through 240 removed outlier: 4.092A pdb=" N ALABX 228 " --> pdb=" O ASPBX 224 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N TYRBX 229 " --> pdb=" O TRPBX 225 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N PHEBX 232 " --> pdb=" O ALABX 228 " (cutoff:3.500A) Processing helix chain 'BX' and resid 243 through 262 removed outlier: 3.550A pdb=" N THRBX 249 " --> pdb=" O PROBX 245 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N LEUBX 251 " --> pdb=" O ALABX 247 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N LYSBX 252 " --> pdb=" O ILEBX 248 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N TYRBX 253 " --> pdb=" O THRBX 249 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N METBX 254 " --> pdb=" O SERBX 250 " (cutoff:3.500A) Processing helix chain 'BX' and resid 263 through 273 removed outlier: 4.363A pdb=" N VALBX 267 " --> pdb=" O THRBX 263 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N GLNBX 268 " --> pdb=" O PROBX 264 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N ALABX 269 " --> pdb=" O GLUBX 265 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLYBX 273 " --> pdb=" O ALABX 269 " (cutoff:3.500A) Processing helix chain 'BX' and resid 274 through 280 removed outlier: 4.015A pdb=" N ARGBX 278 " --> pdb=" O LYSBX 274 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N TYRBX 279 " --> pdb=" O LEUBX 275 " (cutoff:3.500A) Processing helix chain 'BX' and resid 281 through 297 removed outlier: 3.540A pdb=" N GLUBX 285 " --> pdb=" O GLYBX 281 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ALABX 286 " --> pdb=" O ARGBX 282 " (cutoff:3.500A) Processing helix chain 'BX' and resid 298 through 310 removed outlier: 3.558A pdb=" N THRBX 307 " --> pdb=" O GLUBX 303 " (cutoff:3.500A) removed outlier: 4.317A pdb=" N ASPBX 308 " --> pdb=" O LYSBX 304 " (cutoff:3.500A) Processing helix chain 'BX' and resid 311 through 316 removed outlier: 4.239A pdb=" N ASPBX 315 " --> pdb=" O ALABX 311 " (cutoff:3.500A) removed outlier: 4.259A pdb=" N ASPBX 316 " --> pdb=" O GLUBX 312 " (cutoff:3.500A) No H-bonds generated for 'chain 'BX' and resid 311 through 316' Processing helix chain 'BX' and resid 318 through 343 removed outlier: 4.316A pdb=" N HISBX 322 " --> pdb=" O ILEBX 318 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEUBX 323 " --> pdb=" O ILEBX 319 " (cutoff:3.500A) removed outlier: 4.289A pdb=" N GLUBX 332 " --> pdb=" O ASPBX 328 " (cutoff:3.500A) removed outlier: 4.267A pdb=" N ARGBX 337 " --> pdb=" O GLNBX 333 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N VALBX 338 " --> pdb=" O ASNBX 334 " (cutoff:3.500A) Proline residue: BX 341 - end of helix Processing helix chain 'BX' and resid 346 through 355 removed outlier: 3.708A pdb=" N ILEBX 350 " --> pdb=" O GLNBX 346 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N SERBX 352 " --> pdb=" O GLUBX 348 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N LEUBX 353 " --> pdb=" O HISBX 349 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ILEBX 354 " --> pdb=" O ILEBX 350 " (cutoff:3.500A) Processing helix chain 'BX' and resid 357 through 372 removed outlier: 3.725A pdb=" N VALBX 361 " --> pdb=" O SERBX 357 " (cutoff:3.500A) Processing helix chain 'BX' and resid 393 through 422 removed outlier: 3.827A pdb=" N ALABX 399 " --> pdb=" O LYSBX 395 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N GLUBX 402 " --> pdb=" O GLUBX 398 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N GLNBX 405 " --> pdb=" O LEUBX 401 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N SERBX 408 " --> pdb=" O ILEBX 404 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N TYRBX 415 " --> pdb=" O VALBX 411 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N ASNBX 416 " --> pdb=" O ASPBX 412 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LEUBX 421 " --> pdb=" O LYSBX 417 " (cutoff:3.500A) Processing helix chain 'AY' and resid 12 through 29 removed outlier: 5.725A pdb=" N ASPAY 16 " --> pdb=" O PROAY 12 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N ILEAY 19 " --> pdb=" O PROAY 15 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N LEUAY 28 " --> pdb=" O PHEAY 24 " (cutoff:3.500A) Proline residue: AY 29 - end of helix Processing helix chain 'AY' and resid 34 through 48 removed outlier: 3.596A pdb=" N ASPAY 39 " --> pdb=" O ALAAY 35 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N GLUAY 40 " --> pdb=" O ALAAY 36 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N ARGAY 46 " --> pdb=" O METAY 42 " (cutoff:3.500A) removed outlier: 4.876A pdb=" N ASPAY 47 " --> pdb=" O ALAAY 43 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N ASNAY 48 " --> pdb=" O ALAAY 44 " (cutoff:3.500A) Processing helix chain 'AY' and resid 50 through 58 removed outlier: 4.149A pdb=" N TYRAY 54 " --> pdb=" O METAY 50 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N GLUAY 55 " --> pdb=" O ALAAY 51 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ALAAY 56 " --> pdb=" O PROAY 52 " (cutoff:3.500A) Processing helix chain 'AY' and resid 68 through 95 removed outlier: 3.924A pdb=" N METAY 73 " --> pdb=" O LEUAY 69 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEUAY 84 " --> pdb=" O GLUAY 80 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N GLUAY 89 " --> pdb=" O ASPAY 85 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N ASPAY 90 " --> pdb=" O GLUAY 86 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N ASNAY 94 " --> pdb=" O ASPAY 90 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N LEUAY 95 " --> pdb=" O ALAAY 91 " (cutoff:3.500A) Processing helix chain 'AY' and resid 98 through 116 removed outlier: 4.181A pdb=" N ALAAY 103 " --> pdb=" O GLUAY 99 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ALAAY 106 " --> pdb=" O ASPAY 102 " (cutoff:3.500A) removed outlier: 4.546A pdb=" N LYSAY 107 " --> pdb=" O ALAAY 103 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N GLYAY 115 " --> pdb=" O LEUAY 111 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N ASPAY 116 " --> pdb=" O CYSAY 112 " (cutoff:3.500A) Processing helix chain 'AY' and resid 117 through 131 removed outlier: 3.615A pdb=" N ARGAY 125 " --> pdb=" O LEUAY 121 " (cutoff:3.500A) removed outlier: 4.165A pdb=" N ASPAY 129 " --> pdb=" O ARGAY 125 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N LYSAY 130 " --> pdb=" O LYSAY 126 " (cutoff:3.500A) Processing helix chain 'AY' and resid 133 through 152 removed outlier: 4.012A pdb=" N ARGAY 137 " --> pdb=" O ALAAY 133 " (cutoff:3.500A) Processing helix chain 'AY' and resid 154 through 172 removed outlier: 3.849A pdb=" N THRAY 158 " --> pdb=" O ASNAY 154 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ARGAY 159 " --> pdb=" O ASPAY 155 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ASNAY 160 " --> pdb=" O LEUAY 156 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N THRAY 161 " --> pdb=" O ILEAY 157 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N GLUAY 162 " --> pdb=" O THRAY 158 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SERAY 166 " --> pdb=" O GLUAY 162 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N LEUAY 167 " --> pdb=" O LYSAY 163 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N GLUAY 170 " --> pdb=" O SERAY 166 " (cutoff:3.500A) removed outlier: 5.959A pdb=" N GLYAY 171 " --> pdb=" O LEUAY 167 " (cutoff:3.500A) Processing helix chain 'AY' and resid 174 through 192 removed outlier: 3.511A pdb=" N GLYAY 185 " --> pdb=" O LYSAY 181 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ARGAY 192 " --> pdb=" O CYSAY 188 " (cutoff:3.500A) Processing helix chain 'AY' and resid 193 through 208 removed outlier: 3.693A pdb=" N ALAAY 197 " --> pdb=" O ASPAY 193 " (cutoff:3.500A) removed outlier: 5.320A pdb=" N ASPAY 203 " --> pdb=" O GLUAY 199 " (cutoff:3.500A) removed outlier: 5.910A pdb=" N THRAY 204 " --> pdb=" O LEUAY 200 " (cutoff:3.500A) removed outlier: 6.285A pdb=" N VALAY 205 " --> pdb=" O PHEAY 201 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N SERAY 206 " --> pdb=" O LEUAY 202 " (cutoff:3.500A) removed outlier: 4.792A pdb=" N THRAY 207 " --> pdb=" O ASPAY 203 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N PHEAY 208 " --> pdb=" O THRAY 204 " (cutoff:3.500A) Processing helix chain 'AY' and resid 215 through 231 removed outlier: 3.633A pdb=" N VALAY 226 " --> pdb=" O TYRAY 222 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N SERAY 227 " --> pdb=" O THRAY 223 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N METAY 228 " --> pdb=" O VALAY 224 " (cutoff:3.500A) removed outlier: 4.821A pdb=" N ILEAY 229 " --> pdb=" O TYRAY 225 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ALAAY 230 " --> pdb=" O VALAY 226 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LEUAY 231 " --> pdb=" O SERAY 227 " (cutoff:3.500A) Processing helix chain 'AY' and resid 232 through 241 Processing helix chain 'AY' and resid 243 through 254 removed outlier: 3.520A pdb=" N LEUAY 247 " --> pdb=" O GLYAY 243 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N GLUAY 248 " --> pdb=" O ALAAY 244 " (cutoff:3.500A) removed outlier: 4.442A pdb=" N VALAY 249 " --> pdb=" O GLUAY 245 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N LEUAY 250 " --> pdb=" O ILEAY 246 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N LEUAY 253 " --> pdb=" O VALAY 249 " (cutoff:3.500A) Proline residue: AY 254 - end of helix Processing helix chain 'AY' and resid 255 through 266 removed outlier: 3.713A pdb=" N TYRAY 259 " --> pdb=" O ALAAY 255 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N LEUAY 260 " --> pdb=" O VALAY 256 " (cutoff:3.500A) Processing helix chain 'AY' and resid 268 through 286 removed outlier: 4.634A pdb=" N PHEAY 272 " --> pdb=" O TYRAY 268 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N GLNAY 273 " --> pdb=" O SERAY 269 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N LYSAY 284 " --> pdb=" O GLNAY 280 " (cutoff:3.500A) removed outlier: 5.445A pdb=" N TRPAY 286 " --> pdb=" O METAY 282 " (cutoff:3.500A) Processing helix chain 'AY' and resid 287 through 312 removed outlier: 4.563A pdb=" N HISAY 291 " --> pdb=" O LEUAY 287 " (cutoff:3.500A) removed outlier: 4.977A pdb=" N ARGAY 293 " --> pdb=" O ALAAY 289 " (cutoff:3.500A) removed outlier: 5.254A pdb=" N TYRAY 294 " --> pdb=" O PROAY 290 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N TYRAY 295 " --> pdb=" O HISAY 291 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ARGAY 297 " --> pdb=" O ARGAY 293 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ARGAY 300 " --> pdb=" O VALAY 296 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N GLNAY 306 " --> pdb=" O HISAY 302 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N SERAY 310 " --> pdb=" O GLNAY 306 " (cutoff:3.500A) removed outlier: 4.554A pdb=" N TYRAY 311 " --> pdb=" O LEUAY 307 " (cutoff:3.500A) removed outlier: 5.313A pdb=" N ARGAY 312 " --> pdb=" O LEUAY 308 " (cutoff:3.500A) Processing helix chain 'AY' and resid 315 through 324 removed outlier: 3.889A pdb=" N GLUAY 321 " --> pdb=" O GLYAY 317 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ALAAY 322 " --> pdb=" O TYRAY 318 " (cutoff:3.500A) Processing helix chain 'AY' and resid 327 through 341 removed outlier: 3.817A pdb=" N ASPAY 331 " --> pdb=" O VALAY 327 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N GLYAY 341 " --> pdb=" O PHEAY 337 " (cutoff:3.500A) Processing helix chain 'AY' and resid 362 through 389 removed outlier: 3.677A pdb=" N TYRAY 366 " --> pdb=" O LYSAY 362 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N GLUAY 368 " --> pdb=" O TRPAY 364 " (cutoff:3.500A) removed outlier: 4.872A pdb=" N THRAY 369 " --> pdb=" O GLNAY 365 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ILEAY 370 " --> pdb=" O TYRAY 366 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N LEUAY 375 " --> pdb=" O LYSAY 371 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LYSAY 382 " --> pdb=" O ASNAY 378 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N ILEAY 387 " --> pdb=" O LEUAY 383 " (cutoff:3.500A) removed outlier: 4.934A pdb=" N ASNAY 388 " --> pdb=" O SERAY 384 " (cutoff:3.500A) removed outlier: 4.902A pdb=" N METAY 389 " --> pdb=" O ARGAY 385 " (cutoff:3.500A) Processing helix chain 'BY' and resid 12 through 29 removed outlier: 5.725A pdb=" N ASPBY 16 " --> pdb=" O PROBY 12 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N ILEBY 19 " --> pdb=" O PROBY 15 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N LEUBY 28 " --> pdb=" O PHEBY 24 " (cutoff:3.500A) Proline residue: BY 29 - end of helix Processing helix chain 'BY' and resid 34 through 48 removed outlier: 3.595A pdb=" N ASPBY 39 " --> pdb=" O ALABY 35 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N GLUBY 40 " --> pdb=" O ALABY 36 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N ARGBY 46 " --> pdb=" O METBY 42 " (cutoff:3.500A) removed outlier: 4.876A pdb=" N ASPBY 47 " --> pdb=" O ALABY 43 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N ASNBY 48 " --> pdb=" O ALABY 44 " (cutoff:3.500A) Processing helix chain 'BY' and resid 50 through 58 removed outlier: 4.150A pdb=" N TYRBY 54 " --> pdb=" O METBY 50 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N GLUBY 55 " --> pdb=" O ALABY 51 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ALABY 56 " --> pdb=" O PROBY 52 " (cutoff:3.500A) Processing helix chain 'BY' and resid 68 through 95 removed outlier: 3.924A pdb=" N METBY 73 " --> pdb=" O LEUBY 69 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEUBY 84 " --> pdb=" O GLUBY 80 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N GLUBY 89 " --> pdb=" O ASPBY 85 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N ASPBY 90 " --> pdb=" O GLUBY 86 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N ASNBY 94 " --> pdb=" O ASPBY 90 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N LEUBY 95 " --> pdb=" O ALABY 91 " (cutoff:3.500A) Processing helix chain 'BY' and resid 98 through 116 removed outlier: 4.180A pdb=" N ALABY 103 " --> pdb=" O GLUBY 99 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ALABY 106 " --> pdb=" O ASPBY 102 " (cutoff:3.500A) removed outlier: 4.546A pdb=" N LYSBY 107 " --> pdb=" O ALABY 103 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N GLYBY 115 " --> pdb=" O LEUBY 111 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N ASPBY 116 " --> pdb=" O CYSBY 112 " (cutoff:3.500A) Processing helix chain 'BY' and resid 117 through 131 removed outlier: 3.615A pdb=" N ARGBY 125 " --> pdb=" O LEUBY 121 " (cutoff:3.500A) removed outlier: 4.166A pdb=" N ASPBY 129 " --> pdb=" O ARGBY 125 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N LYSBY 130 " --> pdb=" O LYSBY 126 " (cutoff:3.500A) Processing helix chain 'BY' and resid 133 through 152 removed outlier: 4.012A pdb=" N ARGBY 137 " --> pdb=" O ALABY 133 " (cutoff:3.500A) Processing helix chain 'BY' and resid 154 through 172 removed outlier: 3.849A pdb=" N THRBY 158 " --> pdb=" O ASNBY 154 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ARGBY 159 " --> pdb=" O ASPBY 155 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N ASNBY 160 " --> pdb=" O LEUBY 156 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N THRBY 161 " --> pdb=" O ILEBY 157 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N GLUBY 162 " --> pdb=" O THRBY 158 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SERBY 166 " --> pdb=" O GLUBY 162 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N LEUBY 167 " --> pdb=" O LYSBY 163 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLUBY 170 " --> pdb=" O SERBY 166 " (cutoff:3.500A) removed outlier: 5.959A pdb=" N GLYBY 171 " --> pdb=" O LEUBY 167 " (cutoff:3.500A) Processing helix chain 'BY' and resid 174 through 192 removed outlier: 3.512A pdb=" N GLYBY 185 " --> pdb=" O LYSBY 181 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ARGBY 192 " --> pdb=" O CYSBY 188 " (cutoff:3.500A) Processing helix chain 'BY' and resid 193 through 208 removed outlier: 3.693A pdb=" N ALABY 197 " --> pdb=" O ASPBY 193 " (cutoff:3.500A) removed outlier: 5.320A pdb=" N ASPBY 203 " --> pdb=" O GLUBY 199 " (cutoff:3.500A) removed outlier: 5.910A pdb=" N THRBY 204 " --> pdb=" O LEUBY 200 " (cutoff:3.500A) removed outlier: 6.285A pdb=" N VALBY 205 " --> pdb=" O PHEBY 201 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N SERBY 206 " --> pdb=" O LEUBY 202 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N THRBY 207 " --> pdb=" O ASPBY 203 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N PHEBY 208 " --> pdb=" O THRBY 204 " (cutoff:3.500A) Processing helix chain 'BY' and resid 215 through 231 removed outlier: 3.633A pdb=" N VALBY 226 " --> pdb=" O TYRBY 222 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N SERBY 227 " --> pdb=" O THRBY 223 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N METBY 228 " --> pdb=" O VALBY 224 " (cutoff:3.500A) removed outlier: 4.821A pdb=" N ILEBY 229 " --> pdb=" O TYRBY 225 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ALABY 230 " --> pdb=" O VALBY 226 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LEUBY 231 " --> pdb=" O SERBY 227 " (cutoff:3.500A) Processing helix chain 'BY' and resid 232 through 241 Processing helix chain 'BY' and resid 243 through 254 removed outlier: 3.519A pdb=" N LEUBY 247 " --> pdb=" O GLYBY 243 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N GLUBY 248 " --> pdb=" O ALABY 244 " (cutoff:3.500A) removed outlier: 4.443A pdb=" N VALBY 249 " --> pdb=" O GLUBY 245 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N LEUBY 250 " --> pdb=" O ILEBY 246 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N LEUBY 253 " --> pdb=" O VALBY 249 " (cutoff:3.500A) Proline residue: BY 254 - end of helix Processing helix chain 'BY' and resid 255 through 266 removed outlier: 3.714A pdb=" N TYRBY 259 " --> pdb=" O ALABY 255 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N LEUBY 260 " --> pdb=" O VALBY 256 " (cutoff:3.500A) Processing helix chain 'BY' and resid 268 through 286 removed outlier: 4.634A pdb=" N PHEBY 272 " --> pdb=" O TYRBY 268 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLNBY 273 " --> pdb=" O SERBY 269 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N LYSBY 284 " --> pdb=" O GLNBY 280 " (cutoff:3.500A) removed outlier: 5.445A pdb=" N TRPBY 286 " --> pdb=" O METBY 282 " (cutoff:3.500A) Processing helix chain 'BY' and resid 287 through 312 removed outlier: 4.562A pdb=" N HISBY 291 " --> pdb=" O LEUBY 287 " (cutoff:3.500A) removed outlier: 4.977A pdb=" N ARGBY 293 " --> pdb=" O ALABY 289 " (cutoff:3.500A) removed outlier: 5.255A pdb=" N TYRBY 294 " --> pdb=" O PROBY 290 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N TYRBY 295 " --> pdb=" O HISBY 291 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ARGBY 297 " --> pdb=" O ARGBY 293 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARGBY 300 " --> pdb=" O VALBY 296 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLNBY 306 " --> pdb=" O HISBY 302 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N SERBY 310 " --> pdb=" O GLNBY 306 " (cutoff:3.500A) removed outlier: 4.554A pdb=" N TYRBY 311 " --> pdb=" O LEUBY 307 " (cutoff:3.500A) removed outlier: 5.313A pdb=" N ARGBY 312 " --> pdb=" O LEUBY 308 " (cutoff:3.500A) Processing helix chain 'BY' and resid 315 through 324 removed outlier: 3.888A pdb=" N GLUBY 321 " --> pdb=" O GLYBY 317 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N ALABY 322 " --> pdb=" O TYRBY 318 " (cutoff:3.500A) Processing helix chain 'BY' and resid 327 through 341 removed outlier: 3.817A pdb=" N ASPBY 331 " --> pdb=" O VALBY 327 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N GLYBY 341 " --> pdb=" O PHEBY 337 " (cutoff:3.500A) Processing helix chain 'BY' and resid 362 through 389 removed outlier: 3.677A pdb=" N TYRBY 366 " --> pdb=" O LYSBY 362 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLUBY 368 " --> pdb=" O TRPBY 364 " (cutoff:3.500A) removed outlier: 4.872A pdb=" N THRBY 369 " --> pdb=" O GLNBY 365 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ILEBY 370 " --> pdb=" O TYRBY 366 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N LEUBY 375 " --> pdb=" O LYSBY 371 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LYSBY 382 " --> pdb=" O ASNBY 378 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N ILEBY 387 " --> pdb=" O LEUBY 383 " (cutoff:3.500A) removed outlier: 4.934A pdb=" N ASNBY 388 " --> pdb=" O SERBY 384 " (cutoff:3.500A) removed outlier: 4.902A pdb=" N METBY 389 " --> pdb=" O ARGBY 385 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 12 through 30 removed outlier: 3.648A pdb=" N HISAZ 22 " --> pdb=" O SERAZ 18 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N LYSAZ 28 " --> pdb=" O ASNAZ 24 " (cutoff:3.500A) removed outlier: 4.165A pdb=" N VALAZ 29 " --> pdb=" O ARGAZ 25 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 71 through 86 Processing helix chain 'AZ' and resid 104 through 117 removed outlier: 4.219A pdb=" N ILEAZ 108 " --> pdb=" O ASNAZ 104 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ASNAZ 109 " --> pdb=" O ASPAZ 105 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLUAZ 110 " --> pdb=" O ILEAZ 106 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N METAZ 112 " --> pdb=" O ILEAZ 108 " (cutoff:3.500A) removed outlier: 4.695A pdb=" N ARGAZ 114 " --> pdb=" O GLUAZ 110 " (cutoff:3.500A) removed outlier: 5.128A pdb=" N TYRAZ 115 " --> pdb=" O LEUAZ 111 " (cutoff:3.500A) Proline residue: AZ 117 - end of helix Processing helix chain 'AZ' and resid 165 through 177 removed outlier: 5.622A pdb=" N GLUAZ 169 " --> pdb=" O GLUAZ 165 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLYAZ 171 " --> pdb=" O ALAAZ 167 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N VALAZ 172 " --> pdb=" O GLUAZ 168 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N LEUAZ 176 " --> pdb=" O VALAZ 172 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N ARGAZ 177 " --> pdb=" O GLUAZ 173 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 186 through 217 removed outlier: 4.092A pdb=" N ARGAZ 190 " --> pdb=" O THRAZ 186 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N ILEAZ 191 " --> pdb=" O LEUAZ 187 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N THRAZ 192 " --> pdb=" O SERAZ 188 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N GLYAZ 197 " --> pdb=" O ASNAZ 193 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N SERAZ 203 " --> pdb=" O LYSAZ 199 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N VALAZ 215 " --> pdb=" O TYRAZ 211 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ALAAZ 216 " --> pdb=" O LEUAZ 212 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 224 through 237 removed outlier: 7.471A pdb=" N TYRAZ 228 " --> pdb=" O HISAZ 224 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLNAZ 229 " --> pdb=" O GLNAZ 225 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N LEUAZ 230 " --> pdb=" O ILEAZ 226 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N LEUAZ 237 " --> pdb=" O VALAZ 233 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 242 through 290 removed outlier: 7.247A pdb=" N VALAZ 246 " --> pdb=" O LEUAZ 242 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N LYSAZ 247 " --> pdb=" O GLNAZ 243 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N PHEAZ 249 " --> pdb=" O PHEAZ 245 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N TYRAZ 250 " --> pdb=" O VALAZ 246 " (cutoff:3.500A) removed outlier: 4.120A pdb=" N LEUAZ 251 " --> pdb=" O LYSAZ 247 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N VALAZ 258 " --> pdb=" O ASNAZ 254 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N VALAZ 259 " --> pdb=" O ASPAZ 255 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N SERAZ 268 " --> pdb=" O SERAZ 264 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N VALAZ 269 " --> pdb=" O LEUAZ 265 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N ALAAZ 285 " --> pdb=" O ALAAZ 281 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N LYSAZ 288 " --> pdb=" O ASPAZ 284 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N GLUAZ 289 " --> pdb=" O ALAAZ 285 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 12 through 30 removed outlier: 3.648A pdb=" N HISBZ 22 " --> pdb=" O SERBZ 18 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N LYSBZ 28 " --> pdb=" O ASNBZ 24 " (cutoff:3.500A) removed outlier: 4.165A pdb=" N VALBZ 29 " --> pdb=" O ARGBZ 25 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 71 through 86 Processing helix chain 'BZ' and resid 104 through 117 removed outlier: 4.218A pdb=" N ILEBZ 108 " --> pdb=" O ASNBZ 104 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ASNBZ 109 " --> pdb=" O ASPBZ 105 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLUBZ 110 " --> pdb=" O ILEBZ 106 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N METBZ 112 " --> pdb=" O ILEBZ 108 " (cutoff:3.500A) removed outlier: 4.695A pdb=" N ARGBZ 114 " --> pdb=" O GLUBZ 110 " (cutoff:3.500A) removed outlier: 5.128A pdb=" N TYRBZ 115 " --> pdb=" O LEUBZ 111 " (cutoff:3.500A) Proline residue: BZ 117 - end of helix Processing helix chain 'BZ' and resid 165 through 177 removed outlier: 5.622A pdb=" N GLUBZ 169 " --> pdb=" O GLUBZ 165 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N GLYBZ 171 " --> pdb=" O ALABZ 167 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N VALBZ 172 " --> pdb=" O GLUBZ 168 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N LEUBZ 176 " --> pdb=" O VALBZ 172 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N ARGBZ 177 " --> pdb=" O GLUBZ 173 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 186 through 217 removed outlier: 4.092A pdb=" N ARGBZ 190 " --> pdb=" O THRBZ 186 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N ILEBZ 191 " --> pdb=" O LEUBZ 187 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N THRBZ 192 " --> pdb=" O SERBZ 188 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N GLYBZ 197 " --> pdb=" O ASNBZ 193 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N SERBZ 203 " --> pdb=" O LYSBZ 199 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N VALBZ 215 " --> pdb=" O TYRBZ 211 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N ALABZ 216 " --> pdb=" O LEUBZ 212 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 224 through 237 removed outlier: 7.471A pdb=" N TYRBZ 228 " --> pdb=" O HISBZ 224 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLNBZ 229 " --> pdb=" O GLNBZ 225 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N LEUBZ 230 " --> pdb=" O ILEBZ 226 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N LEUBZ 237 " --> pdb=" O VALBZ 233 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 242 through 290 removed outlier: 7.246A pdb=" N VALBZ 246 " --> pdb=" O LEUBZ 242 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N LYSBZ 247 " --> pdb=" O GLNBZ 243 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N PHEBZ 249 " --> pdb=" O PHEBZ 245 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N TYRBZ 250 " --> pdb=" O VALBZ 246 " (cutoff:3.500A) removed outlier: 4.119A pdb=" N LEUBZ 251 " --> pdb=" O LYSBZ 247 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N VALBZ 258 " --> pdb=" O ASNBZ 254 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N VALBZ 259 " --> pdb=" O ASPBZ 255 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N SERBZ 268 " --> pdb=" O SERBZ 264 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N VALBZ 269 " --> pdb=" O LEUBZ 265 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N ALABZ 285 " --> pdb=" O ALABZ 281 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N LYSBZ 288 " --> pdb=" O ASPBZ 284 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N GLUBZ 289 " --> pdb=" O ALABZ 285 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 4 through 12 removed outlier: 4.006A pdb=" N LEUAa 8 " --> pdb=" O VALAa 4 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N SERAa 11 " --> pdb=" O PHEAa 7 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 17 through 32 removed outlier: 4.573A pdb=" N VALAa 21 " --> pdb=" O GLYAa 17 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N TRPAa 22 " --> pdb=" O GLNAa 18 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N ARGAa 24 " --> pdb=" O ALAAa 20 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N GLUAa 27 " --> pdb=" O HISAa 23 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N TYRAa 29 " --> pdb=" O LEUAa 25 " (cutoff:3.500A) removed outlier: 4.174A pdb=" N THRAa 30 " --> pdb=" O GLUAa 26 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N LYSAa 31 " --> pdb=" O GLUAa 27 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 33 through 48 removed outlier: 4.009A pdb=" N LEUAa 37 " --> pdb=" O LEUAa 33 " (cutoff:3.500A) Proline residue: Aa 48 - end of helix Processing helix chain 'Aa' and resid 51 through 69 removed outlier: 4.422A pdb=" N GLYAa 55 " --> pdb=" O ALAAa 51 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N LEUAa 56 " --> pdb=" O GLNAa 52 " (cutoff:3.500A) removed outlier: 4.469A pdb=" N LEUAa 59 " --> pdb=" O GLYAa 55 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N TYRAa 60 " --> pdb=" O LEUAa 56 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N PHEAa 67 " --> pdb=" O PHEAa 63 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 72 through 88 removed outlier: 4.110A pdb=" N LEUAa 76 " --> pdb=" O ASNAa 72 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N HISAa 82 " --> pdb=" O GLUAa 78 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N ARGAa 85 " --> pdb=" O LEUAa 81 " (cutoff:3.500A) removed outlier: 4.276A pdb=" N GLNAa 86 " --> pdb=" O HISAa 82 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 89 through 105 removed outlier: 3.673A pdb=" N THRAa 95 " --> pdb=" O ASNAa 91 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N PHEAa 96 " --> pdb=" O VALAa 92 " (cutoff:3.500A) removed outlier: 5.261A pdb=" N LYSAa 105 " --> pdb=" O ARGAa 101 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 109 through 123 removed outlier: 4.641A pdb=" N LEUAa 113 " --> pdb=" O GLUAa 109 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N LEUAa 123 " --> pdb=" O GLYAa 119 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 130 through 146 removed outlier: 3.726A pdb=" N ASPAa 137 " --> pdb=" O GLUAa 133 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N VALAa 138 " --> pdb=" O THRAa 134 " (cutoff:3.500A) removed outlier: 4.067A pdb=" N GLUAa 139 " --> pdb=" O ILEAa 135 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N GLUAa 140 " --> pdb=" O GLUAa 136 " (cutoff:3.500A) removed outlier: 4.571A pdb=" N ASNAa 144 " --> pdb=" O GLUAa 140 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N LEUAa 145 " --> pdb=" O METAa 141 " (cutoff:3.500A) Proline residue: Aa 146 - end of helix Processing helix chain 'Aa' and resid 149 through 166 removed outlier: 4.058A pdb=" N SERAa 153 " --> pdb=" O THRAa 149 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N ARGAa 154 " --> pdb=" O SERAa 150 " (cutoff:3.500A) removed outlier: 4.025A pdb=" N LEUAa 158 " --> pdb=" O ARGAa 154 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N TYRAa 163 " --> pdb=" O SERAa 159 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N THRAa 165 " --> pdb=" O LYSAa 161 " (cutoff:3.500A) removed outlier: 4.844A pdb=" N ILEAa 166 " --> pdb=" O TYRAa 162 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 168 through 184 removed outlier: 3.829A pdb=" N TYRAa 173 " --> pdb=" O HISAa 169 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N LYSAa 174 " --> pdb=" O ALAAa 170 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ARGAa 178 " --> pdb=" O LYSAa 174 " (cutoff:3.500A) removed outlier: 5.715A pdb=" N ASPAa 184 " --> pdb=" O LEUAa 180 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 189 through 207 removed outlier: 3.760A pdb=" N GLNAa 193 " --> pdb=" O PROAa 189 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N GLUAa 195 " --> pdb=" O SERAa 191 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 213 through 219 removed outlier: 3.898A pdb=" N LEUAa 217 " --> pdb=" O PHEAa 213 " (cutoff:3.500A) removed outlier: 4.200A pdb=" N METAa 218 " --> pdb=" O GLYAa 214 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N HISAa 219 " --> pdb=" O GLUAa 215 " (cutoff:3.500A) No H-bonds generated for 'chain 'Aa' and resid 213 through 219' Processing helix chain 'Aa' and resid 220 through 230 removed outlier: 3.890A pdb=" N SERAa 224 " --> pdb=" O PROAa 220 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N LEUAa 225 " --> pdb=" O VALAa 221 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N THRAa 228 " --> pdb=" O SERAa 224 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N ARGAa 230 " --> pdb=" O ARGAa 226 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 231 through 242 Processing helix chain 'Aa' and resid 246 through 258 removed outlier: 3.809A pdb=" N LEUAa 251 " --> pdb=" O ARGAa 247 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N ALAAa 254 " --> pdb=" O THRAa 250 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N GLNAa 258 " --> pdb=" O ALAAa 254 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 259 through 265 removed outlier: 6.628A pdb=" N ALAAa 263 " --> pdb=" O PROAa 259 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N ASNAa 264 " --> pdb=" O ASPAa 260 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 266 through 284 removed outlier: 3.981A pdb=" N GLNAa 273 " --> pdb=" O LEUAa 269 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N LEUAa 277 " --> pdb=" O GLNAa 273 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N METAa 278 " --> pdb=" O LEUAa 274 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N GLUAa 279 " --> pdb=" O LEUAa 275 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N PHEAa 282 " --> pdb=" O METAa 278 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ARGAa 284 " --> pdb=" O METAa 280 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 292 through 301 removed outlier: 3.511A pdb=" N ILEAa 296 " --> pdb=" O THRAa 292 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 303 through 318 removed outlier: 3.524A pdb=" N VALAa 307 " --> pdb=" O THRAa 303 " (cutoff:3.500A) removed outlier: 4.432A pdb=" N GLUAa 308 " --> pdb=" O VALAa 304 " (cutoff:3.500A) removed outlier: 5.164A pdb=" N LEUAa 309 " --> pdb=" O ASNAa 305 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ALAAa 314 " --> pdb=" O LEUAa 310 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 342 through 376 removed outlier: 3.747A pdb=" N TRPAa 356 " --> pdb=" O ARGAa 352 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N CYSAa 357 " --> pdb=" O LEUAa 353 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ASPAa 359 " --> pdb=" O PHEAa 355 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N LEUAa 366 " --> pdb=" O SERAa 362 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ALAAa 371 " --> pdb=" O VALAa 367 " (cutoff:3.500A) removed outlier: 4.677A pdb=" N ASPAa 373 " --> pdb=" O HISAa 369 " (cutoff:3.500A) removed outlier: 5.037A pdb=" N ILEAa 374 " --> pdb=" O GLNAa 370 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N LEUAa 375 " --> pdb=" O ALAAa 371 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N THRAa 376 " --> pdb=" O HISAa 372 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 4 through 12 removed outlier: 4.006A pdb=" N LEUBa 8 " --> pdb=" O VALBa 4 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N SERBa 11 " --> pdb=" O PHEBa 7 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 17 through 32 removed outlier: 4.574A pdb=" N VALBa 21 " --> pdb=" O GLYBa 17 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N TRPBa 22 " --> pdb=" O GLNBa 18 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N ARGBa 24 " --> pdb=" O ALABa 20 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N GLUBa 27 " --> pdb=" O HISBa 23 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N TYRBa 29 " --> pdb=" O LEUBa 25 " (cutoff:3.500A) removed outlier: 4.174A pdb=" N THRBa 30 " --> pdb=" O GLUBa 26 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N LYSBa 31 " --> pdb=" O GLUBa 27 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 33 through 48 removed outlier: 4.010A pdb=" N LEUBa 37 " --> pdb=" O LEUBa 33 " (cutoff:3.500A) Proline residue: Ba 48 - end of helix Processing helix chain 'Ba' and resid 51 through 69 removed outlier: 4.422A pdb=" N GLYBa 55 " --> pdb=" O ALABa 51 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N LEUBa 56 " --> pdb=" O GLNBa 52 " (cutoff:3.500A) removed outlier: 4.469A pdb=" N LEUBa 59 " --> pdb=" O GLYBa 55 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N TYRBa 60 " --> pdb=" O LEUBa 56 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N PHEBa 67 " --> pdb=" O PHEBa 63 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 72 through 88 removed outlier: 4.110A pdb=" N LEUBa 76 " --> pdb=" O ASNBa 72 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N HISBa 82 " --> pdb=" O GLUBa 78 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N ARGBa 85 " --> pdb=" O LEUBa 81 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N GLNBa 86 " --> pdb=" O HISBa 82 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 89 through 105 removed outlier: 3.674A pdb=" N THRBa 95 " --> pdb=" O ASNBa 91 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N PHEBa 96 " --> pdb=" O VALBa 92 " (cutoff:3.500A) removed outlier: 5.261A pdb=" N LYSBa 105 " --> pdb=" O ARGBa 101 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 109 through 123 removed outlier: 4.641A pdb=" N LEUBa 113 " --> pdb=" O GLUBa 109 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N LEUBa 123 " --> pdb=" O GLYBa 119 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 130 through 146 removed outlier: 3.727A pdb=" N ASPBa 137 " --> pdb=" O GLUBa 133 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N VALBa 138 " --> pdb=" O THRBa 134 " (cutoff:3.500A) removed outlier: 4.067A pdb=" N GLUBa 139 " --> pdb=" O ILEBa 135 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLUBa 140 " --> pdb=" O GLUBa 136 " (cutoff:3.500A) removed outlier: 4.571A pdb=" N ASNBa 144 " --> pdb=" O GLUBa 140 " (cutoff:3.500A) removed outlier: 4.609A pdb=" N LEUBa 145 " --> pdb=" O METBa 141 " (cutoff:3.500A) Proline residue: Ba 146 - end of helix Processing helix chain 'Ba' and resid 149 through 166 removed outlier: 4.058A pdb=" N SERBa 153 " --> pdb=" O THRBa 149 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N ARGBa 154 " --> pdb=" O SERBa 150 " (cutoff:3.500A) removed outlier: 4.025A pdb=" N LEUBa 158 " --> pdb=" O ARGBa 154 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N TYRBa 163 " --> pdb=" O SERBa 159 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N THRBa 165 " --> pdb=" O LYSBa 161 " (cutoff:3.500A) removed outlier: 4.844A pdb=" N ILEBa 166 " --> pdb=" O TYRBa 162 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 168 through 184 removed outlier: 3.828A pdb=" N TYRBa 173 " --> pdb=" O HISBa 169 " (cutoff:3.500A) removed outlier: 4.215A pdb=" N LYSBa 174 " --> pdb=" O ALABa 170 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ARGBa 178 " --> pdb=" O LYSBa 174 " (cutoff:3.500A) removed outlier: 5.714A pdb=" N ASPBa 184 " --> pdb=" O LEUBa 180 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 189 through 207 removed outlier: 3.760A pdb=" N GLNBa 193 " --> pdb=" O PROBa 189 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N GLUBa 195 " --> pdb=" O SERBa 191 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 213 through 219 removed outlier: 3.898A pdb=" N LEUBa 217 " --> pdb=" O PHEBa 213 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N METBa 218 " --> pdb=" O GLYBa 214 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N HISBa 219 " --> pdb=" O GLUBa 215 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ba' and resid 213 through 219' Processing helix chain 'Ba' and resid 220 through 230 removed outlier: 3.889A pdb=" N SERBa 224 " --> pdb=" O PROBa 220 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N LEUBa 225 " --> pdb=" O VALBa 221 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N THRBa 228 " --> pdb=" O SERBa 224 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N ARGBa 230 " --> pdb=" O ARGBa 226 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 231 through 242 Processing helix chain 'Ba' and resid 246 through 258 removed outlier: 3.809A pdb=" N LEUBa 251 " --> pdb=" O ARGBa 247 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N ALABa 254 " --> pdb=" O THRBa 250 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N GLNBa 258 " --> pdb=" O ALABa 254 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 259 through 265 removed outlier: 6.628A pdb=" N ALABa 263 " --> pdb=" O PROBa 259 " (cutoff:3.500A) removed outlier: 4.132A pdb=" N ASNBa 264 " --> pdb=" O ASPBa 260 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 266 through 284 removed outlier: 3.981A pdb=" N GLNBa 273 " --> pdb=" O LEUBa 269 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N LEUBa 277 " --> pdb=" O GLNBa 273 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N METBa 278 " --> pdb=" O LEUBa 274 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N GLUBa 279 " --> pdb=" O LEUBa 275 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N PHEBa 282 " --> pdb=" O METBa 278 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ARGBa 284 " --> pdb=" O METBa 280 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 292 through 301 removed outlier: 3.511A pdb=" N ILEBa 296 " --> pdb=" O THRBa 292 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 303 through 318 removed outlier: 3.524A pdb=" N VALBa 307 " --> pdb=" O THRBa 303 " (cutoff:3.500A) removed outlier: 4.433A pdb=" N GLUBa 308 " --> pdb=" O VALBa 304 " (cutoff:3.500A) removed outlier: 5.164A pdb=" N LEUBa 309 " --> pdb=" O ASNBa 305 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ALABa 314 " --> pdb=" O LEUBa 310 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 342 through 376 removed outlier: 3.747A pdb=" N TRPBa 356 " --> pdb=" O ARGBa 352 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N CYSBa 357 " --> pdb=" O LEUBa 353 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ASPBa 359 " --> pdb=" O PHEBa 355 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N LEUBa 366 " --> pdb=" O SERBa 362 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ALABa 371 " --> pdb=" O VALBa 367 " (cutoff:3.500A) removed outlier: 4.676A pdb=" N ASPBa 373 " --> pdb=" O HISBa 369 " (cutoff:3.500A) removed outlier: 5.037A pdb=" N ILEBa 374 " --> pdb=" O GLNBa 370 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N LEUBa 375 " --> pdb=" O ALABa 371 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N THRBa 376 " --> pdb=" O HISBa 372 " (cutoff:3.500A) Processing helix chain 'Ab' and resid 24 through 44 Processing helix chain 'Ab' and resid 68 through 76 removed outlier: 4.102A pdb=" N HISAb 76 " --> pdb=" O LEUAb 72 " (cutoff:3.500A) Processing helix chain 'Ab' and resid 85 through 100 removed outlier: 4.137A pdb=" N GLYAb 89 " --> pdb=" O THRAb 85 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ILEAb 90 " --> pdb=" O PHEAb 86 " (cutoff:3.500A) removed outlier: 4.167A pdb=" N ARGAb 91 " --> pdb=" O CYSAb 87 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N ALAAb 93 " --> pdb=" O GLYAb 89 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N HISAb 99 " --> pdb=" O LEUAb 95 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N ARGAb 100 " --> pdb=" O ALAAb 96 " (cutoff:3.500A) Processing helix chain 'Ab' and resid 120 through 135 removed outlier: 3.568A pdb=" N LYSAb 133 " --> pdb=" O LYSAb 129 " (cutoff:3.500A) Processing helix chain 'Ab' and resid 150 through 162 removed outlier: 4.253A pdb=" N THRAb 154 " --> pdb=" O THRAb 150 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ASNAb 161 " --> pdb=" O VALAb 157 " (cutoff:3.500A) removed outlier: 5.032A pdb=" N GLYAb 162 " --> pdb=" O ASNAb 158 " (cutoff:3.500A) Processing helix chain 'Ab' and resid 179 through 189 removed outlier: 3.788A pdb=" N SERAb 185 " --> pdb=" O ASPAb 181 " (cutoff:3.500A) removed outlier: 4.598A pdb=" N SERAb 186 " --> pdb=" O ALAAb 182 " (cutoff:3.500A) Proline residue: Ab 187 - end of helix Processing helix chain 'Ab' and resid 13 through 18 removed outlier: 3.952A pdb=" N ARGAb 17 " --> pdb=" O GLUAb 14 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N ASNAb 18 " --> pdb=" O TYRAb 15 " (cutoff:3.500A) Processing helix chain 'Bb' and resid 24 through 44 Processing helix chain 'Bb' and resid 68 through 76 removed outlier: 4.103A pdb=" N HISBb 76 " --> pdb=" O LEUBb 72 " (cutoff:3.500A) Processing helix chain 'Bb' and resid 85 through 100 removed outlier: 4.138A pdb=" N GLYBb 89 " --> pdb=" O THRBb 85 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ILEBb 90 " --> pdb=" O PHEBb 86 " (cutoff:3.500A) removed outlier: 4.167A pdb=" N ARGBb 91 " --> pdb=" O CYSBb 87 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N ALABb 93 " --> pdb=" O GLYBb 89 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N HISBb 99 " --> pdb=" O LEUBb 95 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ARGBb 100 " --> pdb=" O ALABb 96 " (cutoff:3.500A) Processing helix chain 'Bb' and resid 120 through 135 removed outlier: 3.568A pdb=" N LYSBb 133 " --> pdb=" O LYSBb 129 " (cutoff:3.500A) Processing helix chain 'Bb' and resid 150 through 162 removed outlier: 4.253A pdb=" N THRBb 154 " --> pdb=" O THRBb 150 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ASNBb 161 " --> pdb=" O VALBb 157 " (cutoff:3.500A) removed outlier: 5.032A pdb=" N GLYBb 162 " --> pdb=" O ASNBb 158 " (cutoff:3.500A) Processing helix chain 'Bb' and resid 179 through 189 removed outlier: 3.787A pdb=" N SERBb 185 " --> pdb=" O ASPBb 181 " (cutoff:3.500A) removed outlier: 4.597A pdb=" N SERBb 186 " --> pdb=" O ALABb 182 " (cutoff:3.500A) Proline residue: Bb 187 - end of helix Processing helix chain 'Bb' and resid 13 through 18 removed outlier: 3.952A pdb=" N ARGBb 17 " --> pdb=" O GLUBb 14 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N ASNBb 18 " --> pdb=" O TYRBb 15 " (cutoff:3.500A) Processing helix chain 'Ac' and resid 34 through 49 removed outlier: 3.906A pdb=" N LEUAc 39 " --> pdb=" O SERAc 35 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLYAc 48 " --> pdb=" O HISAc 44 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N VALAc 49 " --> pdb=" O GLYAc 45 " (cutoff:3.500A) Processing helix chain 'Ac' and resid 88 through 103 removed outlier: 4.921A pdb=" N GLYAc 103 " --> pdb=" O LEUAc 99 " (cutoff:3.500A) Processing helix chain 'Ac' and resid 123 through 137 removed outlier: 3.588A pdb=" N ASNAc 128 " --> pdb=" O GLYAc 124 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N THRAc 129 " --> pdb=" O VALAc 125 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N SERAc 132 " --> pdb=" O ASNAc 128 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ALAAc 135 " --> pdb=" O GLNAc 131 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEUAc 136 " --> pdb=" O SERAc 132 " (cutoff:3.500A) Processing helix chain 'Ac' and resid 146 through 151 removed outlier: 4.910A pdb=" N SERAc 150 " --> pdb=" O ASPAc 146 " (cutoff:3.500A) removed outlier: 4.982A pdb=" N VALAc 151 " --> pdb=" O PROAc 147 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ac' and resid 146 through 151' Processing helix chain 'Ac' and resid 178 through 186 Processing helix chain 'Ac' and resid 190 through 198 removed outlier: 4.836A pdb=" N HISAc 194 " --> pdb=" O GLNAc 190 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N LEUAc 196 " --> pdb=" O LEUAc 192 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N ASNAc 197 " --> pdb=" O ILEAc 193 " (cutoff:3.500A) removed outlier: 4.606A pdb=" N ARGAc 198 " --> pdb=" O HISAc 194 " (cutoff:3.500A) Processing helix chain 'Ac' and resid 210 through 227 removed outlier: 3.746A pdb=" N HISAc 221 " --> pdb=" O LEUAc 217 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N TRPAc 225 " --> pdb=" O HISAc 221 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N METAc 226 " --> pdb=" O LYSAc 222 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N GLUAc 227 " --> pdb=" O LYSAc 223 " (cutoff:3.500A) Processing helix chain 'Ac' and resid 229 through 244 removed outlier: 7.472A pdb=" N ASPAc 233 " --> pdb=" O LEUAc 229 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N TYRAc 234 " --> pdb=" O THRAc 230 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N SERAc 235 " --> pdb=" O LEUAc 231 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLUAc 242 " --> pdb=" O CYSAc 238 " (cutoff:3.500A) removed outlier: 4.462A pdb=" N SERAc 243 " --> pdb=" O LYSAc 239 " (cutoff:3.500A) removed outlier: 5.987A pdb=" N VALAc 244 " --> pdb=" O HISAc 240 " (cutoff:3.500A) Processing helix chain 'Ac' and resid 245 through 270 removed outlier: 3.583A pdb=" N GLUAc 260 " --> pdb=" O ASNAc 256 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N GLUAc 262 " --> pdb=" O ALAAc 258 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N METAc 265 " --> pdb=" O GLUAc 261 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N THRAc 266 " --> pdb=" O GLUAc 262 " (cutoff:3.500A) Proline residue: Ac 267 - end of helix Processing helix chain 'Ac' and resid 286 through 308 removed outlier: 3.626A pdb=" N VALAc 290 " --> pdb=" O GLUAc 286 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N LEUAc 304 " --> pdb=" O LEUAc 300 " (cutoff:3.500A) removed outlier: 4.448A pdb=" N ASPAc 305 " --> pdb=" O ALAAc 301 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N THRAc 306 " --> pdb=" O ALAAc 302 " (cutoff:3.500A) Processing helix chain 'Bc' and resid 34 through 49 removed outlier: 3.906A pdb=" N LEUBc 39 " --> pdb=" O SERBc 35 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLYBc 48 " --> pdb=" O HISBc 44 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N VALBc 49 " --> pdb=" O GLYBc 45 " (cutoff:3.500A) Processing helix chain 'Bc' and resid 88 through 103 removed outlier: 4.921A pdb=" N GLYBc 103 " --> pdb=" O LEUBc 99 " (cutoff:3.500A) Processing helix chain 'Bc' and resid 123 through 137 removed outlier: 3.588A pdb=" N ASNBc 128 " --> pdb=" O GLYBc 124 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N THRBc 129 " --> pdb=" O VALBc 125 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N SERBc 132 " --> pdb=" O ASNBc 128 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ALABc 135 " --> pdb=" O GLNBc 131 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEUBc 136 " --> pdb=" O SERBc 132 " (cutoff:3.500A) Processing helix chain 'Bc' and resid 146 through 151 removed outlier: 4.910A pdb=" N SERBc 150 " --> pdb=" O ASPBc 146 " (cutoff:3.500A) removed outlier: 4.983A pdb=" N VALBc 151 " --> pdb=" O PROBc 147 " (cutoff:3.500A) No H-bonds generated for 'chain 'Bc' and resid 146 through 151' Processing helix chain 'Bc' and resid 178 through 186 removed outlier: 3.501A pdb=" N LYSBc 186 " --> pdb=" O GLYBc 182 " (cutoff:3.500A) Processing helix chain 'Bc' and resid 190 through 198 removed outlier: 4.836A pdb=" N HISBc 194 " --> pdb=" O GLNBc 190 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N LEUBc 196 " --> pdb=" O LEUBc 192 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N ASNBc 197 " --> pdb=" O ILEBc 193 " (cutoff:3.500A) removed outlier: 4.606A pdb=" N ARGBc 198 " --> pdb=" O HISBc 194 " (cutoff:3.500A) Processing helix chain 'Bc' and resid 210 through 227 removed outlier: 3.746A pdb=" N HISBc 221 " --> pdb=" O LEUBc 217 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N TRPBc 225 " --> pdb=" O HISBc 221 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N METBc 226 " --> pdb=" O LYSBc 222 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N GLUBc 227 " --> pdb=" O LYSBc 223 " (cutoff:3.500A) Processing helix chain 'Bc' and resid 229 through 244 removed outlier: 7.472A pdb=" N ASPBc 233 " --> pdb=" O LEUBc 229 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N TYRBc 234 " --> pdb=" O THRBc 230 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N SERBc 235 " --> pdb=" O LEUBc 231 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLUBc 242 " --> pdb=" O CYSBc 238 " (cutoff:3.500A) removed outlier: 4.462A pdb=" N SERBc 243 " --> pdb=" O LYSBc 239 " (cutoff:3.500A) removed outlier: 5.987A pdb=" N VALBc 244 " --> pdb=" O HISBc 240 " (cutoff:3.500A) Processing helix chain 'Bc' and resid 245 through 270 removed outlier: 3.584A pdb=" N GLUBc 260 " --> pdb=" O ASNBc 256 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N GLUBc 262 " --> pdb=" O ALABc 258 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N METBc 265 " --> pdb=" O GLUBc 261 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N THRBc 266 " --> pdb=" O GLUBc 262 " (cutoff:3.500A) Proline residue: Bc 267 - end of helix Processing helix chain 'Bc' and resid 286 through 308 removed outlier: 3.626A pdb=" N VALBc 290 " --> pdb=" O GLUBc 286 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N LEUBc 304 " --> pdb=" O LEUBc 300 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N ASPBc 305 " --> pdb=" O ALABc 301 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N THRBc 306 " --> pdb=" O ALABc 302 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 4 through 12 removed outlier: 5.922A pdb=" N GLUAd 8 " --> pdb=" O GLNAd 4 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N TRPAd 9 " --> pdb=" O LEUAd 5 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ASNAd 10 " --> pdb=" O LYSAd 6 " (cutoff:3.500A) removed outlier: 4.488A pdb=" N ARGAd 11 " --> pdb=" O GLYAd 7 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 15 through 33 removed outlier: 4.055A pdb=" N CYSAd 19 " --> pdb=" O ASNAd 15 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N LEUAd 28 " --> pdb=" O GLYAd 24 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N VALAd 29 " --> pdb=" O ARGAd 25 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 43 through 66 removed outlier: 4.712A pdb=" N GLNAd 47 " --> pdb=" O LEUAd 43 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N LEUAd 48 " --> pdb=" O THRAd 44 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ILEAd 54 " --> pdb=" O LEUAd 50 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 67 through 84 Processing helix chain 'Ad' and resid 94 through 110 removed outlier: 4.125A pdb=" N LEUAd 99 " --> pdb=" O METAd 95 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLYAd 100 " --> pdb=" O HISAd 96 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N ASNAd 102 " --> pdb=" O LEUAd 98 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 111 through 121 removed outlier: 3.617A pdb=" N PHEAd 115 " --> pdb=" O ARGAd 111 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N HISAd 116 " --> pdb=" O VALAd 112 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LEUAd 119 " --> pdb=" O PHEAd 115 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N GLUAd 120 " --> pdb=" O HISAd 116 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N ARGAd 121 " --> pdb=" O THRAd 117 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 122 through 129 removed outlier: 3.873A pdb=" N ILEAd 127 " --> pdb=" O PROAd 123 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 130 through 146 Proline residue: Ad 136 - end of helix removed outlier: 3.647A pdb=" N GLUAd 145 " --> pdb=" O GLNAd 141 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLYAd 146 " --> pdb=" O TYRAd 142 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 148 through 158 removed outlier: 3.921A pdb=" N GLYAd 156 " --> pdb=" O PHEAd 152 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N ASNAd 157 " --> pdb=" O LEUAd 153 " (cutoff:3.500A) removed outlier: 4.541A pdb=" N ILEAd 158 " --> pdb=" O ALAAd 154 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 164 through 181 removed outlier: 3.950A pdb=" N ILEAd 169 " --> pdb=" O PHEAd 165 " (cutoff:3.500A) removed outlier: 4.206A pdb=" N GLUAd 177 " --> pdb=" O THRAd 173 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N ALAAd 179 " --> pdb=" O ARGAd 175 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 190 through 199 removed outlier: 3.920A pdb=" N ILEAd 197 " --> pdb=" O GLUAd 193 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 203 through 213 removed outlier: 4.222A pdb=" N THRAd 207 " --> pdb=" O PROAd 203 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 225 through 230 removed outlier: 8.024A pdb=" N GLNAd 229 " --> pdb=" O PHEAd 225 " (cutoff:3.500A) removed outlier: 4.208A pdb=" N GLNAd 230 " --> pdb=" O ALAAd 226 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ad' and resid 225 through 230' Processing helix chain 'Ad' and resid 235 through 257 removed outlier: 4.398A pdb=" N SERAd 239 " --> pdb=" O THRAd 235 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THRAd 240 " --> pdb=" O THRAd 236 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N GLUAd 241 " --> pdb=" O ILEAd 237 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VALAd 246 " --> pdb=" O LEUAd 242 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ILEAd 256 " --> pdb=" O GLNAd 252 " (cutoff:3.500A) removed outlier: 4.725A pdb=" N VALAd 257 " --> pdb=" O LEUAd 253 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 4 through 12 removed outlier: 5.923A pdb=" N GLUBd 8 " --> pdb=" O GLNBd 4 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N TRPBd 9 " --> pdb=" O LEUBd 5 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ASNBd 10 " --> pdb=" O LYSBd 6 " (cutoff:3.500A) removed outlier: 4.488A pdb=" N ARGBd 11 " --> pdb=" O GLYBd 7 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 15 through 33 removed outlier: 4.055A pdb=" N CYSBd 19 " --> pdb=" O ASNBd 15 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N LEUBd 28 " --> pdb=" O GLYBd 24 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N VALBd 29 " --> pdb=" O ARGBd 25 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 43 through 66 removed outlier: 4.712A pdb=" N GLNBd 47 " --> pdb=" O LEUBd 43 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N LEUBd 48 " --> pdb=" O THRBd 44 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ILEBd 54 " --> pdb=" O LEUBd 50 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 67 through 84 Processing helix chain 'Bd' and resid 94 through 110 removed outlier: 4.125A pdb=" N LEUBd 99 " --> pdb=" O METBd 95 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLYBd 100 " --> pdb=" O HISBd 96 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N ASNBd 102 " --> pdb=" O LEUBd 98 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 111 through 121 removed outlier: 3.617A pdb=" N PHEBd 115 " --> pdb=" O ARGBd 111 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N HISBd 116 " --> pdb=" O VALBd 112 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LEUBd 119 " --> pdb=" O PHEBd 115 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N GLUBd 120 " --> pdb=" O HISBd 116 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N ARGBd 121 " --> pdb=" O THRBd 117 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 122 through 129 removed outlier: 3.873A pdb=" N ILEBd 127 " --> pdb=" O PROBd 123 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 130 through 146 Proline residue: Bd 136 - end of helix removed outlier: 3.647A pdb=" N GLUBd 145 " --> pdb=" O GLNBd 141 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLYBd 146 " --> pdb=" O TYRBd 142 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 148 through 158 removed outlier: 3.920A pdb=" N GLYBd 156 " --> pdb=" O PHEBd 152 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N ASNBd 157 " --> pdb=" O LEUBd 153 " (cutoff:3.500A) removed outlier: 4.541A pdb=" N ILEBd 158 " --> pdb=" O ALABd 154 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 164 through 181 removed outlier: 3.950A pdb=" N ILEBd 169 " --> pdb=" O PHEBd 165 " (cutoff:3.500A) removed outlier: 4.206A pdb=" N GLUBd 177 " --> pdb=" O THRBd 173 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N ALABd 179 " --> pdb=" O ARGBd 175 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 190 through 199 removed outlier: 3.920A pdb=" N ILEBd 197 " --> pdb=" O GLUBd 193 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 203 through 213 removed outlier: 4.222A pdb=" N THRBd 207 " --> pdb=" O PROBd 203 " (cutoff:3.500A) Processing helix chain 'Bd' and resid 225 through 230 removed outlier: 8.025A pdb=" N GLNBd 229 " --> pdb=" O PHEBd 225 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N GLNBd 230 " --> pdb=" O ALABd 226 " (cutoff:3.500A) No H-bonds generated for 'chain 'Bd' and resid 225 through 230' Processing helix chain 'Bd' and resid 235 through 257 removed outlier: 4.398A pdb=" N SERBd 239 " --> pdb=" O THRBd 235 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N THRBd 240 " --> pdb=" O THRBd 236 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N GLUBd 241 " --> pdb=" O ILEBd 237 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VALBd 246 " --> pdb=" O LEUBd 242 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ILEBd 256 " --> pdb=" O GLNBd 252 " (cutoff:3.500A) removed outlier: 4.725A pdb=" N VALBd 257 " --> pdb=" O LEUBd 253 " (cutoff:3.500A) Processing helix chain 'Ae' and resid 43 through 55 removed outlier: 4.002A pdb=" N VALAe 48 " --> pdb=" O ASPAe 44 " (cutoff:3.500A) Processing helix chain 'Ae' and resid 59 through 70 removed outlier: 4.589A pdb=" N HISAe 63 " --> pdb=" O GLUAe 59 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N METAe 67 " --> pdb=" O HISAe 63 " (cutoff:3.500A) removed outlier: 4.678A pdb=" N GLUAe 68 " --> pdb=" O GLYAe 64 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N THRAe 69 " --> pdb=" O TYRAe 65 " (cutoff:3.500A) removed outlier: 4.276A pdb=" N SERAe 70 " --> pdb=" O LYSAe 66 " (cutoff:3.500A) Processing helix chain 'Be' and resid 43 through 55 removed outlier: 4.001A pdb=" N VALBe 48 " --> pdb=" O ASPBe 44 " (cutoff:3.500A) Processing helix chain 'Be' and resid 59 through 70 removed outlier: 4.589A pdb=" N HISBe 63 " --> pdb=" O GLUBe 59 " (cutoff:3.500A) removed outlier: 4.552A pdb=" N METBe 67 " --> pdb=" O HISBe 63 " (cutoff:3.500A) removed outlier: 4.678A pdb=" N GLUBe 68 " --> pdb=" O GLYBe 64 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N THRBe 69 " --> pdb=" O TYRBe 65 " (cutoff:3.500A) removed outlier: 4.276A pdb=" N SERBe 70 " --> pdb=" O LYSBe 66 " (cutoff:3.500A) Processing helix chain 'Af' and resid 174 through 180 removed outlier: 4.077A pdb=" N LYSAf 178 " --> pdb=" O ASPAf 174 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N VALAf 179 " --> pdb=" O ASPAf 175 " (cutoff:3.500A) Processing helix chain 'Af' and resid 181 through 187 removed outlier: 4.199A pdb=" N THRAf 186 " --> pdb=" O GLUAf 182 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N LEUAf 187 " --> pdb=" O PROAf 183 " (cutoff:3.500A) Processing helix chain 'Af' and resid 188 through 196 Proline residue: Af 193 - end of helix Processing helix chain 'Af' and resid 205 through 218 removed outlier: 4.065A pdb=" N METAf 209 " --> pdb=" O CYSAf 205 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N GLUAf 212 " --> pdb=" O LEUAf 208 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N GLNAf 213 " --> pdb=" O METAf 209 " (cutoff:3.500A) Processing helix chain 'Af' and resid 219 through 231 removed outlier: 4.394A pdb=" N GLUAf 223 " --> pdb=" O LYSAf 219 " (cutoff:3.500A) removed outlier: 6.171A pdb=" N ASNAf 224 " --> pdb=" O ASPAf 220 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LYSAf 228 " --> pdb=" O ASNAf 224 " (cutoff:3.500A) removed outlier: 5.523A pdb=" N VALAf 229 " --> pdb=" O ALAAf 225 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N CYSAf 230 " --> pdb=" O TYRAf 226 " (cutoff:3.500A) Processing helix chain 'Af' and resid 232 through 237 removed outlier: 4.173A pdb=" N CYSAf 236 " --> pdb=" O TYRAf 232 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N VALAf 237 " --> pdb=" O LEUAf 233 " (cutoff:3.500A) No H-bonds generated for 'chain 'Af' and resid 232 through 237' Processing helix chain 'Af' and resid 240 through 261 removed outlier: 4.332A pdb=" N GLUAf 244 " --> pdb=" O VALAf 240 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N PHEAf 256 " --> pdb=" O ALAAf 252 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ARGAf 257 " --> pdb=" O LEUAf 253 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N LYSAf 258 " --> pdb=" O GLYAf 254 " (cutoff:3.500A) removed outlier: 4.583A pdb=" N SERAf 260 " --> pdb=" O PHEAf 256 " (cutoff:3.500A) removed outlier: 5.403A pdb=" N ARGAf 261 " --> pdb=" O ARGAf 257 " (cutoff:3.500A) Processing helix chain 'Af' and resid 273 through 286 removed outlier: 4.003A pdb=" N SERAf 284 " --> pdb=" O ASPAf 280 " (cutoff:3.500A) Processing helix chain 'Af' and resid 293 through 298 removed outlier: 3.628A pdb=" N METAf 297 " --> pdb=" O GLNAf 293 " (cutoff:3.500A) Processing helix chain 'Af' and resid 300 through 308 removed outlier: 3.804A pdb=" N GLUAf 306 " --> pdb=" O GLYAf 302 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N SERAf 308 " --> pdb=" O PHEAf 304 " (cutoff:3.500A) Processing helix chain 'Af' and resid 312 through 317 removed outlier: 4.713A pdb=" N ASPAf 316 " --> pdb=" O GLUAf 312 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N LEUAf 317 " --> pdb=" O GLUAf 313 " (cutoff:3.500A) No H-bonds generated for 'chain 'Af' and resid 312 through 317' Processing helix chain 'Af' and resid 323 through 339 removed outlier: 3.791A pdb=" N ASNAf 329 " --> pdb=" O GLNAf 325 " (cutoff:3.500A) Processing helix chain 'Af' and resid 346 through 351 removed outlier: 4.315A pdb=" N LYSAf 350 " --> pdb=" O ASPAf 346 " (cutoff:3.500A) Processing helix chain 'Af' and resid 356 through 367 removed outlier: 4.566A pdb=" N ASPAf 366 " --> pdb=" O GLYAf 362 " (cutoff:3.500A) Processing helix chain 'Af' and resid 369 through 374 removed outlier: 3.937A pdb=" N ALAAf 373 " --> pdb=" O ARGAf 369 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N SERAf 374 " --> pdb=" O METAf 370 " (cutoff:3.500A) No H-bonds generated for 'chain 'Af' and resid 369 through 374' Processing helix chain 'Af' and resid 375 through 384 removed outlier: 6.345A pdb=" N GLYAf 379 " --> pdb=" O SERAf 375 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N PHEAf 380 " --> pdb=" O PHEAf 376 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALAAf 384 " --> pdb=" O PHEAf 380 " (cutoff:3.500A) Processing helix chain 'Af' and resid 387 through 397 Processing helix chain 'Af' and resid 402 through 409 removed outlier: 5.065A pdb=" N GLYAf 406 " --> pdb=" O ASNAf 402 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N METAf 407 " --> pdb=" O LYSAf 403 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N SERAf 409 " --> pdb=" O HISAf 405 " (cutoff:3.500A) Processing helix chain 'Af' and resid 410 through 425 Processing helix chain 'Af' and resid 431 through 440 removed outlier: 4.039A pdb=" N TYRAf 439 " --> pdb=" O SERAf 435 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ILEAf 440 " --> pdb=" O SERAf 436 " (cutoff:3.500A) Processing helix chain 'Af' and resid 447 through 456 removed outlier: 4.230A pdb=" N VALAf 451 " --> pdb=" O ALAAf 447 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N ASNAf 452 " --> pdb=" O CYSAf 448 " (cutoff:3.500A) Processing helix chain 'Af' and resid 459 through 473 removed outlier: 3.997A pdb=" N LEUAf 463 " --> pdb=" O CYSAf 459 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEUAf 465 " --> pdb=" O PROAf 461 " (cutoff:3.500A) removed outlier: 4.291A pdb=" N HISAf 472 " --> pdb=" O ASPAf 468 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N ASNAf 473 " --> pdb=" O TYRAf 469 " (cutoff:3.500A) Processing helix chain 'Af' and resid 476 through 493 removed outlier: 4.921A pdb=" N GLYAf 480 " --> pdb=" O THRAf 476 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N SERAf 481 " --> pdb=" O METAf 477 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLYAf 486 " --> pdb=" O ILEAf 482 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N TYRAf 489 " --> pdb=" O LEUAf 485 " (cutoff:3.500A) removed outlier: 4.738A pdb=" N SERAf 492 " --> pdb=" O ALAAf 488 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ASNAf 493 " --> pdb=" O TYRAf 489 " (cutoff:3.500A) Processing helix chain 'Af' and resid 497 through 507 removed outlier: 4.473A pdb=" N LEUAf 501 " --> pdb=" O VALAf 497 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N LEUAf 502 " --> pdb=" O LEUAf 498 " (cutoff:3.500A) Proline residue: Af 503 - end of helix Processing helix chain 'Af' and resid 514 through 525 removed outlier: 4.914A pdb=" N THRAf 518 " --> pdb=" O VALAf 514 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N CYSAf 522 " --> pdb=" O THRAf 518 " (cutoff:3.500A) removed outlier: 4.139A pdb=" N GLYAf 523 " --> pdb=" O ALAAf 519 " (cutoff:3.500A) Processing helix chain 'Af' and resid 531 through 546 removed outlier: 8.018A pdb=" N THRAf 535 " --> pdb=" O ASNAf 531 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N SERAf 536 " --> pdb=" O GLYAf 532 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N LYSAf 545 " --> pdb=" O THRAf 541 " (cutoff:3.500A) removed outlier: 4.201A pdb=" N SERAf 546 " --> pdb=" O ILEAf 542 " (cutoff:3.500A) Processing helix chain 'Af' and resid 552 through 566 removed outlier: 3.565A pdb=" N ARGAf 556 " --> pdb=" O ASPAf 552 " (cutoff:3.500A) removed outlier: 4.528A pdb=" N TRPAf 557 " --> pdb=" O THRAf 553 " (cutoff:3.500A) Proline residue: Af 559 - end of helix removed outlier: 4.065A pdb=" N LEUAf 562 " --> pdb=" O LEUAf 558 " (cutoff:3.500A) removed outlier: 4.306A pdb=" N LEUAf 564 " --> pdb=" O LEUAf 560 " (cutoff:3.500A) removed outlier: 5.282A pdb=" N ASNAf 565 " --> pdb=" O GLYAf 561 " (cutoff:3.500A) Processing helix chain 'Af' and resid 572 through 582 removed outlier: 4.569A pdb=" N ILEAf 576 " --> pdb=" O ALAAf 572 " (cutoff:3.500A) removed outlier: 4.656A pdb=" N LEUAf 580 " --> pdb=" O ILEAf 576 " (cutoff:3.500A) removed outlier: 4.707A pdb=" N GLUAf 581 " --> pdb=" O LEUAf 577 " (cutoff:3.500A) removed outlier: 5.486A pdb=" N VALAf 582 " --> pdb=" O ALAAf 578 " (cutoff:3.500A) Processing helix chain 'Af' and resid 585 through 602 removed outlier: 3.922A pdb=" N SERAf 589 " --> pdb=" O GLUAf 585 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N PHEAf 590 " --> pdb=" O PROAf 586 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N ALAAf 591 " --> pdb=" O PHEAf 587 " (cutoff:3.500A) removed outlier: 4.292A pdb=" N VALAf 595 " --> pdb=" O ALAAf 591 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N TYRAf 600 " --> pdb=" O ASPAf 596 " (cutoff:3.500A) removed outlier: 5.183A pdb=" N ALAAf 601 " --> pdb=" O VALAf 597 " (cutoff:3.500A) removed outlier: 5.499A pdb=" N GLYAf 602 " --> pdb=" O CYSAf 598 " (cutoff:3.500A) Processing helix chain 'Af' and resid 606 through 616 removed outlier: 4.088A pdb=" N GLNAf 610 " --> pdb=" O VALAf 606 " (cutoff:3.500A) Processing helix chain 'Af' and resid 622 through 637 removed outlier: 5.959A pdb=" N GLUAf 626 " --> pdb=" O SERAf 622 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N GLUAf 627 " --> pdb=" O LYSAf 623 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ASPAf 636 " --> pdb=" O LYSAf 632 " (cutoff:3.500A) removed outlier: 5.162A pdb=" N LYSAf 637 " --> pdb=" O GLUAf 633 " (cutoff:3.500A) Processing helix chain 'Af' and resid 640 through 647 removed outlier: 4.111A pdb=" N ALAAf 644 " --> pdb=" O LYSAf 640 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N GLYAf 647 " --> pdb=" O PROAf 643 " (cutoff:3.500A) Processing helix chain 'Af' and resid 653 through 663 removed outlier: 3.549A pdb=" N ILEAf 657 " --> pdb=" O ALAAf 653 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N ALAAf 658 " --> pdb=" O VALAf 654 " (cutoff:3.500A) Processing helix chain 'Af' and resid 671 through 682 removed outlier: 3.953A pdb=" N LEUAf 679 " --> pdb=" O PHEAf 675 " (cutoff:3.500A) Processing helix chain 'Af' and resid 685 through 698 removed outlier: 3.960A pdb=" N ALAAf 689 " --> pdb=" O THRAf 685 " (cutoff:3.500A) Proline residue: Af 691 - end of helix removed outlier: 4.706A pdb=" N LEUAf 694 " --> pdb=" O VALAf 690 " (cutoff:3.500A) removed outlier: 4.913A pdb=" N ALAAf 695 " --> pdb=" O PROAf 691 " (cutoff:3.500A) removed outlier: 5.613A pdb=" N LEUAf 696 " --> pdb=" O LEUAf 692 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ILEAf 697 " --> pdb=" O ALAAf 693 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N SERAf 698 " --> pdb=" O LEUAf 694 " (cutoff:3.500A) Processing helix chain 'Af' and resid 701 through 717 removed outlier: 4.450A pdb=" N ASNAf 705 " --> pdb=" O ASNAf 701 " (cutoff:3.500A) removed outlier: 4.201A pdb=" N LEUAf 707 " --> pdb=" O ARGAf 703 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ASPAf 708 " --> pdb=" O LEUAf 704 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N LYSAf 712 " --> pdb=" O ASPAf 708 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N HISAf 715 " --> pdb=" O SERAf 711 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N ASPAf 716 " --> pdb=" O LYSAf 712 " (cutoff:3.500A) removed outlier: 6.218A pdb=" N ALAAf 717 " --> pdb=" O PHEAf 713 " (cutoff:3.500A) Processing helix chain 'Af' and resid 718 through 735 removed outlier: 4.380A pdb=" N METAf 731 " --> pdb=" O PHEAf 727 " (cutoff:3.500A) removed outlier: 5.525A pdb=" N VALAf 732 " --> pdb=" O ALAAf 728 " (cutoff:3.500A) Processing helix chain 'Af' and resid 738 through 751 removed outlier: 4.115A pdb=" N ARGAf 746 " --> pdb=" O ALAAf 742 " (cutoff:3.500A) removed outlier: 6.010A pdb=" N GLNAf 747 " --> pdb=" O ALAAf 743 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N LEUAf 748 " --> pdb=" O METAf 744 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N ALAAf 749 " --> pdb=" O LEUAf 745 " (cutoff:3.500A) removed outlier: 5.946A pdb=" N GLNAf 750 " --> pdb=" O ARGAf 746 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N TYRAf 751 " --> pdb=" O GLNAf 747 " (cutoff:3.500A) Processing helix chain 'Af' and resid 755 through 769 removed outlier: 4.637A pdb=" N LEUAf 759 " --> pdb=" O ASPAf 755 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N GLYAf 767 " --> pdb=" O ARGAf 763 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N LEUAf 768 " --> pdb=" O LEUAf 764 " (cutoff:3.500A) removed outlier: 4.773A pdb=" N THRAf 769 " --> pdb=" O ALAAf 765 " (cutoff:3.500A) Processing helix chain 'Af' and resid 780 through 794 removed outlier: 4.778A pdb=" N ASPAf 784 " --> pdb=" O PROAf 780 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ALAAf 792 " --> pdb=" O METAf 788 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N VALAf 793 " --> pdb=" O SERAf 789 " (cutoff:3.500A) removed outlier: 4.822A pdb=" N ALAAf 794 " --> pdb=" O GLNAf 790 " (cutoff:3.500A) Processing helix chain 'Af' and resid 798 through 813 removed outlier: 4.519A pdb=" N SERAf 802 " --> pdb=" O THRAf 798 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N VALAf 806 " --> pdb=" O SERAf 802 " (cutoff:3.500A) removed outlier: 4.134A pdb=" N ILEAf 809 " --> pdb=" O ASPAf 805 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N LEUAf 811 " --> pdb=" O ARGAf 807 " (cutoff:3.500A) Processing helix chain 'Af' and resid 819 through 824 removed outlier: 7.745A pdb=" N ALAAf 823 " --> pdb=" O TYRAf 819 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N ALAAf 824 " --> pdb=" O GLYAf 820 " (cutoff:3.500A) No H-bonds generated for 'chain 'Af' and resid 819 through 824' Processing helix chain 'Af' and resid 829 through 841 removed outlier: 4.098A pdb=" N PHEAf 833 " --> pdb=" O METAf 829 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ASPAf 834 " --> pdb=" O LEUAf 830 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N ARGAf 838 " --> pdb=" O ASPAf 834 " (cutoff:3.500A) Proline residue: Af 839 - end of helix Processing helix chain 'Af' and resid 845 through 852 Processing helix chain 'Bf' and resid 174 through 180 removed outlier: 4.077A pdb=" N LYSBf 178 " --> pdb=" O ASPBf 174 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N VALBf 179 " --> pdb=" O ASPBf 175 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 181 through 187 removed outlier: 4.199A pdb=" N THRBf 186 " --> pdb=" O GLUBf 182 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N LEUBf 187 " --> pdb=" O PROBf 183 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 188 through 196 Proline residue: Bf 193 - end of helix Processing helix chain 'Bf' and resid 205 through 218 removed outlier: 4.065A pdb=" N METBf 209 " --> pdb=" O CYSBf 205 " (cutoff:3.500A) removed outlier: 4.487A pdb=" N GLUBf 212 " --> pdb=" O LEUBf 208 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N GLNBf 213 " --> pdb=" O METBf 209 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 219 through 231 removed outlier: 4.394A pdb=" N GLUBf 223 " --> pdb=" O LYSBf 219 " (cutoff:3.500A) removed outlier: 6.171A pdb=" N ASNBf 224 " --> pdb=" O ASPBf 220 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LYSBf 228 " --> pdb=" O ASNBf 224 " (cutoff:3.500A) removed outlier: 5.524A pdb=" N VALBf 229 " --> pdb=" O ALABf 225 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N CYSBf 230 " --> pdb=" O TYRBf 226 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 232 through 237 removed outlier: 4.174A pdb=" N CYSBf 236 " --> pdb=" O TYRBf 232 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N VALBf 237 " --> pdb=" O LEUBf 233 " (cutoff:3.500A) No H-bonds generated for 'chain 'Bf' and resid 232 through 237' Processing helix chain 'Bf' and resid 240 through 261 removed outlier: 4.332A pdb=" N GLUBf 244 " --> pdb=" O VALBf 240 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N PHEBf 256 " --> pdb=" O ALABf 252 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ARGBf 257 " --> pdb=" O LEUBf 253 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N LYSBf 258 " --> pdb=" O GLYBf 254 " (cutoff:3.500A) removed outlier: 4.582A pdb=" N SERBf 260 " --> pdb=" O PHEBf 256 " (cutoff:3.500A) removed outlier: 5.404A pdb=" N ARGBf 261 " --> pdb=" O ARGBf 257 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 273 through 286 removed outlier: 4.002A pdb=" N SERBf 284 " --> pdb=" O ASPBf 280 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 293 through 298 removed outlier: 3.628A pdb=" N METBf 297 " --> pdb=" O GLNBf 293 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 300 through 308 removed outlier: 3.803A pdb=" N GLUBf 306 " --> pdb=" O GLYBf 302 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N SERBf 308 " --> pdb=" O PHEBf 304 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 312 through 317 removed outlier: 4.714A pdb=" N ASPBf 316 " --> pdb=" O GLUBf 312 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N LEUBf 317 " --> pdb=" O GLUBf 313 " (cutoff:3.500A) No H-bonds generated for 'chain 'Bf' and resid 312 through 317' Processing helix chain 'Bf' and resid 323 through 339 removed outlier: 3.791A pdb=" N ASNBf 329 " --> pdb=" O GLNBf 325 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 346 through 351 removed outlier: 4.315A pdb=" N LYSBf 350 " --> pdb=" O ASPBf 346 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 356 through 367 removed outlier: 4.566A pdb=" N ASPBf 366 " --> pdb=" O GLYBf 362 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 369 through 374 removed outlier: 3.937A pdb=" N ALABf 373 " --> pdb=" O ARGBf 369 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N SERBf 374 " --> pdb=" O METBf 370 " (cutoff:3.500A) No H-bonds generated for 'chain 'Bf' and resid 369 through 374' Processing helix chain 'Bf' and resid 375 through 384 removed outlier: 6.345A pdb=" N GLYBf 379 " --> pdb=" O SERBf 375 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N PHEBf 380 " --> pdb=" O PHEBf 376 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALABf 384 " --> pdb=" O PHEBf 380 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 387 through 397 Processing helix chain 'Bf' and resid 402 through 409 removed outlier: 5.065A pdb=" N GLYBf 406 " --> pdb=" O ASNBf 402 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N METBf 407 " --> pdb=" O LYSBf 403 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N SERBf 409 " --> pdb=" O HISBf 405 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 410 through 425 Processing helix chain 'Bf' and resid 431 through 440 removed outlier: 4.039A pdb=" N TYRBf 439 " --> pdb=" O SERBf 435 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ILEBf 440 " --> pdb=" O SERBf 436 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 447 through 456 removed outlier: 4.229A pdb=" N VALBf 451 " --> pdb=" O ALABf 447 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N ASNBf 452 " --> pdb=" O CYSBf 448 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 459 through 473 removed outlier: 3.997A pdb=" N LEUBf 463 " --> pdb=" O CYSBf 459 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEUBf 465 " --> pdb=" O PROBf 461 " (cutoff:3.500A) removed outlier: 4.291A pdb=" N HISBf 472 " --> pdb=" O ASPBf 468 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N ASNBf 473 " --> pdb=" O TYRBf 469 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 476 through 493 removed outlier: 4.921A pdb=" N GLYBf 480 " --> pdb=" O THRBf 476 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N SERBf 481 " --> pdb=" O METBf 477 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLYBf 486 " --> pdb=" O ILEBf 482 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N TYRBf 489 " --> pdb=" O LEUBf 485 " (cutoff:3.500A) removed outlier: 4.739A pdb=" N SERBf 492 " --> pdb=" O ALABf 488 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ASNBf 493 " --> pdb=" O TYRBf 489 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 497 through 507 removed outlier: 4.473A pdb=" N LEUBf 501 " --> pdb=" O VALBf 497 " (cutoff:3.500A) removed outlier: 4.392A pdb=" N LEUBf 502 " --> pdb=" O LEUBf 498 " (cutoff:3.500A) Proline residue: Bf 503 - end of helix Processing helix chain 'Bf' and resid 514 through 525 removed outlier: 4.913A pdb=" N THRBf 518 " --> pdb=" O VALBf 514 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N CYSBf 522 " --> pdb=" O THRBf 518 " (cutoff:3.500A) removed outlier: 4.139A pdb=" N GLYBf 523 " --> pdb=" O ALABf 519 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 531 through 546 removed outlier: 8.018A pdb=" N THRBf 535 " --> pdb=" O ASNBf 531 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N SERBf 536 " --> pdb=" O GLYBf 532 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LYSBf 545 " --> pdb=" O THRBf 541 " (cutoff:3.500A) removed outlier: 4.201A pdb=" N SERBf 546 " --> pdb=" O ILEBf 542 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 552 through 566 removed outlier: 3.564A pdb=" N ARGBf 556 " --> pdb=" O ASPBf 552 " (cutoff:3.500A) removed outlier: 4.528A pdb=" N TRPBf 557 " --> pdb=" O THRBf 553 " (cutoff:3.500A) Proline residue: Bf 559 - end of helix removed outlier: 4.065A pdb=" N LEUBf 562 " --> pdb=" O LEUBf 558 " (cutoff:3.500A) removed outlier: 4.306A pdb=" N LEUBf 564 " --> pdb=" O LEUBf 560 " (cutoff:3.500A) removed outlier: 5.281A pdb=" N ASNBf 565 " --> pdb=" O GLYBf 561 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 572 through 582 removed outlier: 4.569A pdb=" N ILEBf 576 " --> pdb=" O ALABf 572 " (cutoff:3.500A) removed outlier: 4.656A pdb=" N LEUBf 580 " --> pdb=" O ILEBf 576 " (cutoff:3.500A) removed outlier: 4.707A pdb=" N GLUBf 581 " --> pdb=" O LEUBf 577 " (cutoff:3.500A) removed outlier: 5.487A pdb=" N VALBf 582 " --> pdb=" O ALABf 578 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 585 through 602 removed outlier: 3.922A pdb=" N SERBf 589 " --> pdb=" O GLUBf 585 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N PHEBf 590 " --> pdb=" O PROBf 586 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N ALABf 591 " --> pdb=" O PHEBf 587 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N VALBf 595 " --> pdb=" O ALABf 591 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N TYRBf 600 " --> pdb=" O ASPBf 596 " (cutoff:3.500A) removed outlier: 5.183A pdb=" N ALABf 601 " --> pdb=" O VALBf 597 " (cutoff:3.500A) removed outlier: 5.499A pdb=" N GLYBf 602 " --> pdb=" O CYSBf 598 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 606 through 616 removed outlier: 4.087A pdb=" N GLNBf 610 " --> pdb=" O VALBf 606 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 622 through 637 removed outlier: 5.959A pdb=" N GLUBf 626 " --> pdb=" O SERBf 622 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N GLUBf 627 " --> pdb=" O LYSBf 623 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ASPBf 636 " --> pdb=" O LYSBf 632 " (cutoff:3.500A) removed outlier: 5.162A pdb=" N LYSBf 637 " --> pdb=" O GLUBf 633 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 640 through 647 removed outlier: 4.112A pdb=" N ALABf 644 " --> pdb=" O LYSBf 640 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N GLYBf 647 " --> pdb=" O PROBf 643 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 653 through 663 removed outlier: 3.549A pdb=" N ILEBf 657 " --> pdb=" O ALABf 653 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N ALABf 658 " --> pdb=" O VALBf 654 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 671 through 682 removed outlier: 3.952A pdb=" N LEUBf 679 " --> pdb=" O PHEBf 675 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 685 through 698 removed outlier: 3.961A pdb=" N ALABf 689 " --> pdb=" O THRBf 685 " (cutoff:3.500A) Proline residue: Bf 691 - end of helix removed outlier: 4.706A pdb=" N LEUBf 694 " --> pdb=" O VALBf 690 " (cutoff:3.500A) removed outlier: 4.913A pdb=" N ALABf 695 " --> pdb=" O PROBf 691 " (cutoff:3.500A) removed outlier: 5.613A pdb=" N LEUBf 696 " --> pdb=" O LEUBf 692 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ILEBf 697 " --> pdb=" O ALABf 693 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N SERBf 698 " --> pdb=" O LEUBf 694 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 701 through 717 removed outlier: 4.450A pdb=" N ASNBf 705 " --> pdb=" O ASNBf 701 " (cutoff:3.500A) removed outlier: 4.201A pdb=" N LEUBf 707 " --> pdb=" O ARGBf 703 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ASPBf 708 " --> pdb=" O LEUBf 704 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N LYSBf 712 " --> pdb=" O ASPBf 708 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N HISBf 715 " --> pdb=" O SERBf 711 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N ASPBf 716 " --> pdb=" O LYSBf 712 " (cutoff:3.500A) removed outlier: 6.218A pdb=" N ALABf 717 " --> pdb=" O PHEBf 713 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 718 through 735 removed outlier: 4.381A pdb=" N METBf 731 " --> pdb=" O PHEBf 727 " (cutoff:3.500A) removed outlier: 5.525A pdb=" N VALBf 732 " --> pdb=" O ALABf 728 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 738 through 751 removed outlier: 4.115A pdb=" N ARGBf 746 " --> pdb=" O ALABf 742 " (cutoff:3.500A) removed outlier: 6.011A pdb=" N GLNBf 747 " --> pdb=" O ALABf 743 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N LEUBf 748 " --> pdb=" O METBf 744 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ALABf 749 " --> pdb=" O LEUBf 745 " (cutoff:3.500A) removed outlier: 5.946A pdb=" N GLNBf 750 " --> pdb=" O ARGBf 746 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N TYRBf 751 " --> pdb=" O GLNBf 747 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 755 through 769 removed outlier: 4.637A pdb=" N LEUBf 759 " --> pdb=" O ASPBf 755 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N GLYBf 767 " --> pdb=" O ARGBf 763 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N LEUBf 768 " --> pdb=" O LEUBf 764 " (cutoff:3.500A) removed outlier: 4.773A pdb=" N THRBf 769 " --> pdb=" O ALABf 765 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 780 through 794 removed outlier: 4.778A pdb=" N ASPBf 784 " --> pdb=" O PROBf 780 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ALABf 792 " --> pdb=" O METBf 788 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N VALBf 793 " --> pdb=" O SERBf 789 " (cutoff:3.500A) removed outlier: 4.822A pdb=" N ALABf 794 " --> pdb=" O GLNBf 790 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 798 through 813 removed outlier: 4.519A pdb=" N SERBf 802 " --> pdb=" O THRBf 798 " (cutoff:3.500A) removed outlier: 4.325A pdb=" N VALBf 806 " --> pdb=" O SERBf 802 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N ILEBf 809 " --> pdb=" O ASPBf 805 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N LEUBf 811 " --> pdb=" O ARGBf 807 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 819 through 824 removed outlier: 7.746A pdb=" N ALABf 823 " --> pdb=" O TYRBf 819 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ALABf 824 " --> pdb=" O GLYBf 820 " (cutoff:3.500A) No H-bonds generated for 'chain 'Bf' and resid 819 through 824' Processing helix chain 'Bf' and resid 829 through 841 removed outlier: 4.098A pdb=" N PHEBf 833 " --> pdb=" O METBf 829 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ASPBf 834 " --> pdb=" O LEUBf 830 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N ARGBf 838 " --> pdb=" O ASPBf 834 " (cutoff:3.500A) Proline residue: Bf 839 - end of helix Processing helix chain 'Bf' and resid 845 through 852 Processing helix chain 'AA' and resid 73 through 93 removed outlier: 3.703A pdb=" N ALAAA 82 " --> pdb=" O TRPAA 78 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N ASPAA 83 " --> pdb=" O ASPAA 79 " (cutoff:3.500A) removed outlier: 5.378A pdb=" N LYSAA 84 " --> pdb=" O LEUAA 80 " (cutoff:3.500A) removed outlier: 5.399A pdb=" N GLNAA 85 " --> pdb=" O ALAAA 81 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N GLNAA 88 " --> pdb=" O LYSAA 84 " (cutoff:3.500A) Proline residue: AA 92 - end of helix Processing helix chain 'AA' and resid 159 through 167 removed outlier: 4.352A pdb=" N METAA 163 " --> pdb=" O PROAA 159 " (cutoff:3.500A) removed outlier: 5.323A pdb=" N GLUAA 167 " --> pdb=" O METAA 163 " (cutoff:3.500A) Processing helix chain 'AA' and resid 180 through 196 removed outlier: 4.179A pdb=" N ILEAA 184 " --> pdb=" O CYSAA 180 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N VALAA 191 " --> pdb=" O LEUAA 187 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N THRAA 193 " --> pdb=" O GLUAA 189 " (cutoff:3.500A) Proline residue: AA 194 - end of helix Processing helix chain 'AA' and resid 197 through 205 removed outlier: 4.169A pdb=" N PHEAA 201 " --> pdb=" O HISAA 197 " (cutoff:3.500A) Processing helix chain 'AA' and resid 220 through 232 removed outlier: 4.933A pdb=" N LEUAA 224 " --> pdb=" O THRAA 220 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N CYSAA 225 " --> pdb=" O GLYAA 221 " (cutoff:3.500A) Processing helix chain 'AA' and resid 241 through 247 removed outlier: 4.515A pdb=" N LEUAA 245 " --> pdb=" O ILEAA 241 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N VALAA 246 " --> pdb=" O GLYAA 242 " (cutoff:3.500A) removed outlier: 5.084A pdb=" N GLNAA 247 " --> pdb=" O SERAA 243 " (cutoff:3.500A) No H-bonds generated for 'chain 'AA' and resid 241 through 247' Processing helix chain 'AA' and resid 251 through 268 removed outlier: 3.666A pdb=" N ARGAA 255 " --> pdb=" O GLYAA 251 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LYSAA 268 " --> pdb=" O ALAAA 264 " (cutoff:3.500A) Processing helix chain 'AA' and resid 276 through 282 removed outlier: 4.105A pdb=" N ILEAA 280 " --> pdb=" O GLUAA 276 " (cutoff:3.500A) removed outlier: 4.125A pdb=" N GLYAA 282 " --> pdb=" O ASPAA 278 " (cutoff:3.500A) Processing helix chain 'AA' and resid 292 through 308 Processing helix chain 'AA' and resid 326 through 337 removed outlier: 3.516A pdb=" N ALAAA 330 " --> pdb=" O THRAA 326 " (cutoff:3.500A) Proline residue: AA 334 - end of helix Processing helix chain 'AA' and resid 347 through 360 removed outlier: 4.560A pdb=" N THRAA 352 " --> pdb=" O LEUAA 348 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N HISAA 353 " --> pdb=" O GLUAA 349 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N ILEAA 354 " --> pdb=" O GLYAA 350 " (cutoff:3.500A) Processing helix chain 'AA' and resid 369 through 378 removed outlier: 3.828A pdb=" N LEUAA 373 " --> pdb=" O ARGAA 369 " (cutoff:3.500A) Proline residue: AA 378 - end of helix Processing helix chain 'AA' and resid 381 through 400 removed outlier: 4.966A pdb=" N ILEAA 385 " --> pdb=" O THRAA 381 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N GLYAA 393 " --> pdb=" O CYSAA 389 " (cutoff:3.500A) Processing helix chain 'AA' and resid 407 through 424 removed outlier: 4.123A pdb=" N GLUAA 411 " --> pdb=" O LYSAA 407 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N ALAAA 412 " --> pdb=" O ASPAA 408 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N PHEAA 423 " --> pdb=" O SERAA 419 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N SERAA 424 " --> pdb=" O TYRAA 420 " (cutoff:3.500A) Processing helix chain 'AA' and resid 427 through 433 Processing helix chain 'AA' and resid 309 through 314 removed outlier: 3.575A pdb=" N ARGAA 312 " --> pdb=" O PHEAA 309 " (cutoff:3.500A) removed outlier: 6.039A pdb=" N GLYAA 313 " --> pdb=" O ASPAA 310 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N ASNAA 314 " --> pdb=" O PROAA 311 " (cutoff:3.500A) No H-bonds generated for 'chain 'AA' and resid 309 through 314' Processing helix chain 'BA' and resid 73 through 93 removed outlier: 3.703A pdb=" N ALABA 82 " --> pdb=" O TRPBA 78 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N ASPBA 83 " --> pdb=" O ASPBA 79 " (cutoff:3.500A) removed outlier: 5.378A pdb=" N LYSBA 84 " --> pdb=" O LEUBA 80 " (cutoff:3.500A) removed outlier: 5.399A pdb=" N GLNBA 85 " --> pdb=" O ALABA 81 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N GLNBA 88 " --> pdb=" O LYSBA 84 " (cutoff:3.500A) Proline residue: BA 92 - end of helix Processing helix chain 'BA' and resid 159 through 167 removed outlier: 4.353A pdb=" N METBA 163 " --> pdb=" O PROBA 159 " (cutoff:3.500A) removed outlier: 5.323A pdb=" N GLUBA 167 " --> pdb=" O METBA 163 " (cutoff:3.500A) Processing helix chain 'BA' and resid 180 through 196 removed outlier: 4.179A pdb=" N ILEBA 184 " --> pdb=" O CYSBA 180 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N VALBA 191 " --> pdb=" O LEUBA 187 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N THRBA 193 " --> pdb=" O GLUBA 189 " (cutoff:3.500A) Proline residue: BA 194 - end of helix Processing helix chain 'BA' and resid 197 through 205 removed outlier: 4.169A pdb=" N PHEBA 201 " --> pdb=" O HISBA 197 " (cutoff:3.500A) Processing helix chain 'BA' and resid 220 through 232 removed outlier: 4.933A pdb=" N LEUBA 224 " --> pdb=" O THRBA 220 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N CYSBA 225 " --> pdb=" O GLYBA 221 " (cutoff:3.500A) Processing helix chain 'BA' and resid 241 through 247 removed outlier: 4.515A pdb=" N LEUBA 245 " --> pdb=" O ILEBA 241 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N VALBA 246 " --> pdb=" O GLYBA 242 " (cutoff:3.500A) removed outlier: 5.084A pdb=" N GLNBA 247 " --> pdb=" O SERBA 243 " (cutoff:3.500A) No H-bonds generated for 'chain 'BA' and resid 241 through 247' Processing helix chain 'BA' and resid 251 through 268 removed outlier: 3.666A pdb=" N ARGBA 255 " --> pdb=" O GLYBA 251 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LYSBA 268 " --> pdb=" O ALABA 264 " (cutoff:3.500A) Processing helix chain 'BA' and resid 276 through 282 removed outlier: 4.104A pdb=" N ILEBA 280 " --> pdb=" O GLUBA 276 " (cutoff:3.500A) removed outlier: 4.125A pdb=" N GLYBA 282 " --> pdb=" O ASPBA 278 " (cutoff:3.500A) Processing helix chain 'BA' and resid 292 through 308 Processing helix chain 'BA' and resid 326 through 337 removed outlier: 3.515A pdb=" N ALABA 330 " --> pdb=" O THRBA 326 " (cutoff:3.500A) Proline residue: BA 334 - end of helix Processing helix chain 'BA' and resid 347 through 360 removed outlier: 4.559A pdb=" N THRBA 352 " --> pdb=" O LEUBA 348 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N HISBA 353 " --> pdb=" O GLUBA 349 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N ILEBA 354 " --> pdb=" O GLYBA 350 " (cutoff:3.500A) Processing helix chain 'BA' and resid 369 through 378 removed outlier: 3.827A pdb=" N LEUBA 373 " --> pdb=" O ARGBA 369 " (cutoff:3.500A) Proline residue: BA 378 - end of helix Processing helix chain 'BA' and resid 381 through 400 removed outlier: 4.967A pdb=" N ILEBA 385 " --> pdb=" O THRBA 381 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N GLYBA 393 " --> pdb=" O CYSBA 389 " (cutoff:3.500A) Processing helix chain 'BA' and resid 407 through 424 removed outlier: 4.123A pdb=" N GLUBA 411 " --> pdb=" O LYSBA 407 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N ALABA 412 " --> pdb=" O ASPBA 408 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N PHEBA 423 " --> pdb=" O SERBA 419 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N SERBA 424 " --> pdb=" O TYRBA 420 " (cutoff:3.500A) Processing helix chain 'BA' and resid 427 through 433 Processing helix chain 'BA' and resid 309 through 314 removed outlier: 3.575A pdb=" N ARGBA 312 " --> pdb=" O PHEBA 309 " (cutoff:3.500A) removed outlier: 6.039A pdb=" N GLYBA 313 " --> pdb=" O ASPBA 310 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N ASNBA 314 " --> pdb=" O PROBA 311 " (cutoff:3.500A) No H-bonds generated for 'chain 'BA' and resid 309 through 314' Processing helix chain 'AB' and resid 93 through 104 removed outlier: 3.645A pdb=" N SERAB 97 " --> pdb=" O GLUAB 93 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ASPAB 100 " --> pdb=" O ARGAB 96 " (cutoff:3.500A) removed outlier: 4.752A pdb=" N ASPAB 101 " --> pdb=" O SERAB 97 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LEUAB 102 " --> pdb=" O LYSAB 98 " (cutoff:3.500A) Processing helix chain 'AB' and resid 140 through 145 removed outlier: 4.704A pdb=" N GLUAB 145 " --> pdb=" O LYSAB 141 " (cutoff:3.500A) Processing helix chain 'AB' and resid 168 through 176 removed outlier: 3.646A pdb=" N METAB 174 " --> pdb=" O LEUAB 170 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N LYSAB 175 " --> pdb=" O VALAB 171 " (cutoff:3.500A) removed outlier: 5.123A pdb=" N VALAB 176 " --> pdb=" O THRAB 172 " (cutoff:3.500A) Processing helix chain 'AB' and resid 183 through 188 removed outlier: 4.185A pdb=" N ILEAB 187 " --> pdb=" O THRAB 183 " (cutoff:3.500A) removed outlier: 5.117A pdb=" N GLYAB 188 " --> pdb=" O TYRAB 184 " (cutoff:3.500A) No H-bonds generated for 'chain 'AB' and resid 183 through 188' Processing helix chain 'AB' and resid 190 through 206 removed outlier: 4.298A pdb=" N GLUAB 196 " --> pdb=" O ASNAB 192 " (cutoff:3.500A) removed outlier: 4.614A pdb=" N ILEAB 197 " --> pdb=" O GLNAB 193 " (cutoff:3.500A) Proline residue: AB 204 - end of helix Processing helix chain 'AB' and resid 208 through 215 removed outlier: 3.611A pdb=" N GLYAB 215 " --> pdb=" O TYRAB 211 " (cutoff:3.500A) Processing helix chain 'AB' and resid 230 through 243 removed outlier: 6.037A pdb=" N LEUAB 234 " --> pdb=" O THRAB 230 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LYSAB 237 " --> pdb=" O THRAB 233 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N ALAAB 240 " --> pdb=" O ALAAB 236 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N THRAB 243 " --> pdb=" O VALAB 239 " (cutoff:3.500A) Processing helix chain 'AB' and resid 252 through 258 removed outlier: 4.838A pdb=" N ILEAB 256 " --> pdb=" O GLYAB 252 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLNAB 257 " --> pdb=" O SERAB 253 " (cutoff:3.500A) Processing helix chain 'AB' and resid 264 through 278 Processing helix chain 'AB' and resid 301 through 318 removed outlier: 4.133A pdb=" N GLYAB 318 " --> pdb=" O ASNAB 314 " (cutoff:3.500A) Processing helix chain 'AB' and resid 333 through 338 removed outlier: 4.813A pdb=" N LEUAB 337 " --> pdb=" O ARGAB 333 " (cutoff:3.500A) removed outlier: 5.788A pdb=" N ASPAB 338 " --> pdb=" O ILEAB 334 " (cutoff:3.500A) No H-bonds generated for 'chain 'AB' and resid 333 through 338' Processing helix chain 'AB' and resid 339 through 345 removed outlier: 3.770A pdb=" N ARGAB 343 " --> pdb=" O PROAB 339 " (cutoff:3.500A) Proline residue: AB 344 - end of helix No H-bonds generated for 'chain 'AB' and resid 339 through 345' Processing helix chain 'AB' and resid 357 through 373 removed outlier: 4.680A pdb=" N ARGAB 371 " --> pdb=" O ILEAB 367 " (cutoff:3.500A) removed outlier: 4.262A pdb=" N METAB 372 " --> pdb=" O HISAB 368 " (cutoff:3.500A) removed outlier: 5.080A pdb=" N THRAB 373 " --> pdb=" O THRAB 369 " (cutoff:3.500A) Processing helix chain 'AB' and resid 379 through 388 removed outlier: 4.228A pdb=" N LEUAB 383 " --> pdb=" O THRAB 379 " (cutoff:3.500A) removed outlier: 5.526A pdb=" N ASPAB 388 " --> pdb=" O ILEAB 384 " (cutoff:3.500A) Processing helix chain 'AB' and resid 391 through 410 removed outlier: 3.776A pdb=" N ILEAB 395 " --> pdb=" O SERAB 391 " (cutoff:3.500A) Processing helix chain 'AB' and resid 415 through 433 removed outlier: 3.808A pdb=" N VALAB 426 " --> pdb=" O SERAB 422 " (cutoff:3.500A) Processing helix chain 'BB' and resid 93 through 104 removed outlier: 3.646A pdb=" N SERBB 97 " --> pdb=" O GLUBB 93 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ASPBB 100 " --> pdb=" O ARGBB 96 " (cutoff:3.500A) removed outlier: 4.752A pdb=" N ASPBB 101 " --> pdb=" O SERBB 97 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LEUBB 102 " --> pdb=" O LYSBB 98 " (cutoff:3.500A) Processing helix chain 'BB' and resid 140 through 145 removed outlier: 4.704A pdb=" N GLUBB 145 " --> pdb=" O LYSBB 141 " (cutoff:3.500A) Processing helix chain 'BB' and resid 168 through 176 removed outlier: 3.647A pdb=" N METBB 174 " --> pdb=" O LEUBB 170 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N LYSBB 175 " --> pdb=" O VALBB 171 " (cutoff:3.500A) removed outlier: 5.124A pdb=" N VALBB 176 " --> pdb=" O THRBB 172 " (cutoff:3.500A) Processing helix chain 'BB' and resid 183 through 188 removed outlier: 4.184A pdb=" N ILEBB 187 " --> pdb=" O THRBB 183 " (cutoff:3.500A) removed outlier: 5.117A pdb=" N GLYBB 188 " --> pdb=" O TYRBB 184 " (cutoff:3.500A) No H-bonds generated for 'chain 'BB' and resid 183 through 188' Processing helix chain 'BB' and resid 190 through 206 removed outlier: 4.298A pdb=" N GLUBB 196 " --> pdb=" O ASNBB 192 " (cutoff:3.500A) removed outlier: 4.614A pdb=" N ILEBB 197 " --> pdb=" O GLNBB 193 " (cutoff:3.500A) Proline residue: BB 204 - end of helix Processing helix chain 'BB' and resid 208 through 215 removed outlier: 3.610A pdb=" N GLYBB 215 " --> pdb=" O TYRBB 211 " (cutoff:3.500A) Processing helix chain 'BB' and resid 230 through 243 removed outlier: 6.037A pdb=" N LEUBB 234 " --> pdb=" O THRBB 230 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LYSBB 237 " --> pdb=" O THRBB 233 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N ALABB 240 " --> pdb=" O ALABB 236 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N THRBB 243 " --> pdb=" O VALBB 239 " (cutoff:3.500A) Processing helix chain 'BB' and resid 252 through 258 removed outlier: 4.838A pdb=" N ILEBB 256 " --> pdb=" O GLYBB 252 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N GLNBB 257 " --> pdb=" O SERBB 253 " (cutoff:3.500A) Processing helix chain 'BB' and resid 264 through 278 Processing helix chain 'BB' and resid 301 through 318 removed outlier: 4.133A pdb=" N GLYBB 318 " --> pdb=" O ASNBB 314 " (cutoff:3.500A) Processing helix chain 'BB' and resid 333 through 338 removed outlier: 4.813A pdb=" N LEUBB 337 " --> pdb=" O ARGBB 333 " (cutoff:3.500A) removed outlier: 5.788A pdb=" N ASPBB 338 " --> pdb=" O ILEBB 334 " (cutoff:3.500A) No H-bonds generated for 'chain 'BB' and resid 333 through 338' Processing helix chain 'BB' and resid 339 through 345 removed outlier: 3.770A pdb=" N ARGBB 343 " --> pdb=" O PROBB 339 " (cutoff:3.500A) Proline residue: BB 344 - end of helix No H-bonds generated for 'chain 'BB' and resid 339 through 345' Processing helix chain 'BB' and resid 357 through 373 removed outlier: 4.680A pdb=" N ARGBB 371 " --> pdb=" O ILEBB 367 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N METBB 372 " --> pdb=" O HISBB 368 " (cutoff:3.500A) removed outlier: 5.080A pdb=" N THRBB 373 " --> pdb=" O THRBB 369 " (cutoff:3.500A) Processing helix chain 'BB' and resid 379 through 388 removed outlier: 4.228A pdb=" N LEUBB 383 " --> pdb=" O THRBB 379 " (cutoff:3.500A) removed outlier: 5.526A pdb=" N ASPBB 388 " --> pdb=" O ILEBB 384 " (cutoff:3.500A) Processing helix chain 'BB' and resid 391 through 410 removed outlier: 3.775A pdb=" N ILEBB 395 " --> pdb=" O SERBB 391 " (cutoff:3.500A) Processing helix chain 'BB' and resid 415 through 433 removed outlier: 3.809A pdb=" N VALBB 426 " --> pdb=" O SERBB 422 " (cutoff:3.500A) Processing helix chain 'AD' and resid 40 through 76 removed outlier: 4.634A pdb=" N GLNAD 48 " --> pdb=" O TYRAD 44 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N GLNAD 49 " --> pdb=" O LYSAD 45 " (cutoff:3.500A) removed outlier: 4.867A pdb=" N GLUAD 50 " --> pdb=" O LYSAD 46 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LEUAD 51 " --> pdb=" O LEUAD 47 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N GLUAD 59 " --> pdb=" O GLUAD 55 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N LYSAD 70 " --> pdb=" O LYSAD 66 " (cutoff:3.500A) Processing helix chain 'AD' and resid 170 through 188 removed outlier: 5.710A pdb=" N LYSAD 174 " --> pdb=" O METAD 170 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N GLNAD 175 " --> pdb=" O ASPAD 171 " (cutoff:3.500A) removed outlier: 4.471A pdb=" N LEUAD 183 " --> pdb=" O GLUAD 179 " (cutoff:3.500A) Proline residue: AD 184 - end of helix removed outlier: 3.844A pdb=" N PHEAD 188 " --> pdb=" O PROAD 184 " (cutoff:3.500A) Processing helix chain 'AD' and resid 189 through 195 Processing helix chain 'AD' and resid 211 through 223 removed outlier: 4.460A pdb=" N LEUAD 215 " --> pdb=" O GLYAD 211 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N ALAAD 216 " --> pdb=" O LYSAD 212 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N HISAD 221 " --> pdb=" O LYSAD 217 " (cutoff:3.500A) Processing helix chain 'AD' and resid 239 through 258 removed outlier: 4.233A pdb=" N GLYAD 243 " --> pdb=" O TYRAD 239 " (cutoff:3.500A) Proline residue: AD 244 - end of helix Processing helix chain 'AD' and resid 267 through 272 removed outlier: 4.333A pdb=" N THRAD 272 " --> pdb=" O ASPAD 268 " (cutoff:3.500A) Processing helix chain 'AD' and resid 276 through 301 removed outlier: 4.604A pdb=" N ASPAD 282 " --> pdb=" O GLNAD 278 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ASPAD 300 " --> pdb=" O METAD 296 " (cutoff:3.500A) removed outlier: 5.452A pdb=" N GLNAD 301 " --> pdb=" O ASPAD 297 " (cutoff:3.500A) Processing helix chain 'AD' and resid 318 through 323 removed outlier: 4.320A pdb=" N LEUAD 322 " --> pdb=" O ASPAD 318 " (cutoff:3.500A) Processing helix chain 'AD' and resid 337 through 353 removed outlier: 4.031A pdb=" N LYSAD 351 " --> pdb=" O THRAD 347 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N METAD 352 " --> pdb=" O ILEAD 348 " (cutoff:3.500A) removed outlier: 5.152A pdb=" N ASNAD 353 " --> pdb=" O THRAD 349 " (cutoff:3.500A) Processing helix chain 'AD' and resid 359 through 371 removed outlier: 4.537A pdb=" N TYRAD 363 " --> pdb=" O ASPAD 359 " (cutoff:3.500A) Proline residue: AD 367 - end of helix removed outlier: 3.881A pdb=" N ILEAD 370 " --> pdb=" O ARGAD 366 " (cutoff:3.500A) Processing helix chain 'AD' and resid 374 through 390 removed outlier: 4.502A pdb=" N GLUAD 389 " --> pdb=" O LEUAD 385 " (cutoff:3.500A) removed outlier: 4.481A pdb=" N ASNAD 390 " --> pdb=" O ALAAD 386 " (cutoff:3.500A) Processing helix chain 'AD' and resid 395 through 407 Processing helix chain 'AD' and resid 412 through 417 removed outlier: 4.167A pdb=" N PHEAD 416 " --> pdb=" O GLUAD 413 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N TYRAD 417 " --> pdb=" O HISAD 414 " (cutoff:3.500A) Processing helix chain 'BD' and resid 40 through 76 removed outlier: 4.634A pdb=" N GLNBD 48 " --> pdb=" O TYRBD 44 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N GLNBD 49 " --> pdb=" O LYSBD 45 " (cutoff:3.500A) removed outlier: 4.867A pdb=" N GLUBD 50 " --> pdb=" O LYSBD 46 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LEUBD 51 " --> pdb=" O LEUBD 47 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N GLUBD 59 " --> pdb=" O GLUBD 55 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N LYSBD 70 " --> pdb=" O LYSBD 66 " (cutoff:3.500A) Processing helix chain 'BD' and resid 170 through 188 removed outlier: 5.710A pdb=" N LYSBD 174 " --> pdb=" O METBD 170 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N GLNBD 175 " --> pdb=" O ASPBD 171 " (cutoff:3.500A) removed outlier: 4.471A pdb=" N LEUBD 183 " --> pdb=" O GLUBD 179 " (cutoff:3.500A) Proline residue: BD 184 - end of helix removed outlier: 3.844A pdb=" N PHEBD 188 " --> pdb=" O PROBD 184 " (cutoff:3.500A) Processing helix chain 'BD' and resid 189 through 195 Processing helix chain 'BD' and resid 211 through 223 removed outlier: 4.461A pdb=" N LEUBD 215 " --> pdb=" O GLYBD 211 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALABD 216 " --> pdb=" O LYSBD 212 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N HISBD 221 " --> pdb=" O LYSBD 217 " (cutoff:3.500A) Processing helix chain 'BD' and resid 239 through 258 removed outlier: 4.232A pdb=" N GLYBD 243 " --> pdb=" O TYRBD 239 " (cutoff:3.500A) Proline residue: BD 244 - end of helix Processing helix chain 'BD' and resid 267 through 272 removed outlier: 4.334A pdb=" N THRBD 272 " --> pdb=" O ASPBD 268 " (cutoff:3.500A) Processing helix chain 'BD' and resid 276 through 301 removed outlier: 4.604A pdb=" N ASPBD 282 " --> pdb=" O GLNBD 278 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ASPBD 300 " --> pdb=" O METBD 296 " (cutoff:3.500A) removed outlier: 5.452A pdb=" N GLNBD 301 " --> pdb=" O ASPBD 297 " (cutoff:3.500A) Processing helix chain 'BD' and resid 318 through 323 removed outlier: 4.320A pdb=" N LEUBD 322 " --> pdb=" O ASPBD 318 " (cutoff:3.500A) Processing helix chain 'BD' and resid 337 through 353 removed outlier: 4.031A pdb=" N LYSBD 351 " --> pdb=" O THRBD 347 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N METBD 352 " --> pdb=" O ILEBD 348 " (cutoff:3.500A) removed outlier: 5.152A pdb=" N ASNBD 353 " --> pdb=" O THRBD 349 " (cutoff:3.500A) Processing helix chain 'BD' and resid 359 through 371 removed outlier: 4.537A pdb=" N TYRBD 363 " --> pdb=" O ASPBD 359 " (cutoff:3.500A) Proline residue: BD 367 - end of helix removed outlier: 3.880A pdb=" N ILEBD 370 " --> pdb=" O ARGBD 366 " (cutoff:3.500A) Processing helix chain 'BD' and resid 374 through 390 removed outlier: 4.502A pdb=" N GLUBD 389 " --> pdb=" O LEUBD 385 " (cutoff:3.500A) removed outlier: 4.482A pdb=" N ASNBD 390 " --> pdb=" O ALABD 386 " (cutoff:3.500A) Processing helix chain 'BD' and resid 395 through 407 Processing helix chain 'BD' and resid 412 through 417 removed outlier: 4.167A pdb=" N PHEBD 416 " --> pdb=" O GLUBD 413 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N TYRBD 417 " --> pdb=" O HISBD 414 " (cutoff:3.500A) Processing helix chain 'AE' and resid 37 through 52 removed outlier: 4.097A pdb=" N GLUAE 41 " --> pdb=" O THRAE 37 " (cutoff:3.500A) removed outlier: 4.838A pdb=" N SERAE 52 " --> pdb=" O LYSAE 48 " (cutoff:3.500A) Processing helix chain 'AE' and resid 88 through 93 removed outlier: 4.412A pdb=" N LYSAE 93 " --> pdb=" O LYSAE 89 " (cutoff:3.500A) Processing helix chain 'AE' and resid 115 through 124 removed outlier: 4.984A pdb=" N VALAE 119 " --> pdb=" O VALAE 115 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N TYRAE 120 " --> pdb=" O ASPAE 116 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N HISAE 124 " --> pdb=" O TYRAE 120 " (cutoff:3.500A) Processing helix chain 'AE' and resid 128 through 136 removed outlier: 5.739A pdb=" N TYRAE 132 " --> pdb=" O GLYAE 128 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N SERAE 133 " --> pdb=" O ASNAE 129 " (cutoff:3.500A) removed outlier: 5.206A pdb=" N GLYAE 136 " --> pdb=" O TYRAE 132 " (cutoff:3.500A) Processing helix chain 'AE' and resid 138 through 155 Proline residue: AE 152 - end of helix Processing helix chain 'AE' and resid 156 through 163 removed outlier: 3.709A pdb=" N VALAE 162 " --> pdb=" O LEUAE 158 " (cutoff:3.500A) Processing helix chain 'AE' and resid 179 through 192 Processing helix chain 'AE' and resid 199 through 204 removed outlier: 4.522A pdb=" N ILEAE 203 " --> pdb=" O VALAE 199 " (cutoff:3.500A) removed outlier: 4.829A pdb=" N VALAE 204 " --> pdb=" O SERAE 200 " (cutoff:3.500A) No H-bonds generated for 'chain 'AE' and resid 199 through 204' Processing helix chain 'AE' and resid 209 through 226 removed outlier: 4.431A pdb=" N ARGAE 213 " --> pdb=" O GLYAE 209 " (cutoff:3.500A) Processing helix chain 'AE' and resid 234 through 240 removed outlier: 4.467A pdb=" N ILEAE 238 " --> pdb=" O GLUAE 234 " (cutoff:3.500A) Processing helix chain 'AE' and resid 247 through 266 removed outlier: 5.247A pdb=" N ARGAE 251 " --> pdb=" O THRAE 247 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLYAE 266 " --> pdb=" O ASNAE 262 " (cutoff:3.500A) Processing helix chain 'AE' and resid 286 through 291 Processing helix chain 'AE' and resid 305 through 321 Proline residue: AE 319 - end of helix Processing helix chain 'AE' and resid 327 through 335 removed outlier: 4.372A pdb=" N ILEAE 331 " --> pdb=" O ASPAE 327 " (cutoff:3.500A) Processing helix chain 'AE' and resid 339 through 358 removed outlier: 4.327A pdb=" N ARGAE 356 " --> pdb=" O METAE 352 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ALAAE 357 " --> pdb=" O PHEAE 353 " (cutoff:3.500A) Processing helix chain 'AE' and resid 363 through 383 removed outlier: 3.563A pdb=" N PHEAE 367 " --> pdb=" O VALAE 363 " (cutoff:3.500A) removed outlier: 5.031A pdb=" N LYSAE 383 " --> pdb=" O LYSAE 379 " (cutoff:3.500A) Processing helix chain 'BE' and resid 37 through 52 removed outlier: 4.097A pdb=" N GLUBE 41 " --> pdb=" O THRBE 37 " (cutoff:3.500A) removed outlier: 4.838A pdb=" N SERBE 52 " --> pdb=" O LYSBE 48 " (cutoff:3.500A) Processing helix chain 'BE' and resid 88 through 93 removed outlier: 4.412A pdb=" N LYSBE 93 " --> pdb=" O LYSBE 89 " (cutoff:3.500A) Processing helix chain 'BE' and resid 115 through 124 removed outlier: 4.984A pdb=" N VALBE 119 " --> pdb=" O VALBE 115 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N TYRBE 120 " --> pdb=" O ASPBE 116 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N HISBE 124 " --> pdb=" O TYRBE 120 " (cutoff:3.500A) Processing helix chain 'BE' and resid 128 through 136 removed outlier: 5.738A pdb=" N TYRBE 132 " --> pdb=" O GLYBE 128 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N SERBE 133 " --> pdb=" O ASNBE 129 " (cutoff:3.500A) removed outlier: 5.206A pdb=" N GLYBE 136 " --> pdb=" O TYRBE 132 " (cutoff:3.500A) Processing helix chain 'BE' and resid 138 through 155 Proline residue: BE 152 - end of helix Processing helix chain 'BE' and resid 156 through 163 removed outlier: 3.709A pdb=" N VALBE 162 " --> pdb=" O LEUBE 158 " (cutoff:3.500A) Processing helix chain 'BE' and resid 179 through 192 Processing helix chain 'BE' and resid 199 through 204 removed outlier: 4.523A pdb=" N ILEBE 203 " --> pdb=" O VALBE 199 " (cutoff:3.500A) removed outlier: 4.830A pdb=" N VALBE 204 " --> pdb=" O SERBE 200 " (cutoff:3.500A) No H-bonds generated for 'chain 'BE' and resid 199 through 204' Processing helix chain 'BE' and resid 209 through 226 removed outlier: 4.431A pdb=" N ARGBE 213 " --> pdb=" O GLYBE 209 " (cutoff:3.500A) Processing helix chain 'BE' and resid 234 through 240 removed outlier: 4.467A pdb=" N ILEBE 238 " --> pdb=" O GLUBE 234 " (cutoff:3.500A) Processing helix chain 'BE' and resid 247 through 266 removed outlier: 5.247A pdb=" N ARGBE 251 " --> pdb=" O THRBE 247 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLYBE 266 " --> pdb=" O ASNBE 262 " (cutoff:3.500A) Processing helix chain 'BE' and resid 286 through 291 Processing helix chain 'BE' and resid 305 through 321 Proline residue: BE 319 - end of helix Processing helix chain 'BE' and resid 327 through 335 removed outlier: 4.372A pdb=" N ILEBE 331 " --> pdb=" O ASPBE 327 " (cutoff:3.500A) Processing helix chain 'BE' and resid 339 through 358 removed outlier: 4.327A pdb=" N ARGBE 356 " --> pdb=" O METBE 352 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ALABE 357 " --> pdb=" O PHEBE 353 " (cutoff:3.500A) Processing helix chain 'BE' and resid 363 through 383 removed outlier: 3.563A pdb=" N PHEBE 367 " --> pdb=" O VALBE 363 " (cutoff:3.500A) removed outlier: 5.032A pdb=" N LYSBE 383 " --> pdb=" O LYSBE 379 " (cutoff:3.500A) Processing helix chain 'AF' and resid 64 through 85 removed outlier: 4.150A pdb=" N ALAAF 68 " --> pdb=" O HISAF 64 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N VALAF 82 " --> pdb=" O GLUAF 78 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ASNAF 83 " --> pdb=" O LYSAF 79 " (cutoff:3.500A) Processing helix chain 'AF' and resid 170 through 175 Processing helix chain 'AF' and resid 184 through 189 removed outlier: 4.256A pdb=" N ILEAF 188 " --> pdb=" O GLNAF 184 " (cutoff:3.500A) removed outlier: 5.091A pdb=" N GLYAF 189 " --> pdb=" O TYRAF 185 " (cutoff:3.500A) No H-bonds generated for 'chain 'AF' and resid 184 through 189' Processing helix chain 'AF' and resid 191 through 208 Proline residue: AF 205 - end of helix Processing helix chain 'AF' and resid 209 through 216 Processing helix chain 'AF' and resid 232 through 245 removed outlier: 4.123A pdb=" N LYSAF 245 " --> pdb=" O ALAAF 241 " (cutoff:3.500A) Processing helix chain 'AF' and resid 252 through 258 removed outlier: 4.351A pdb=" N LEUAF 256 " --> pdb=" O ALAAF 252 " (cutoff:3.500A) removed outlier: 4.632A pdb=" N VALAF 257 " --> pdb=" O GLYAF 253 " (cutoff:3.500A) removed outlier: 5.515A pdb=" N GLNAF 258 " --> pdb=" O PROAF 254 " (cutoff:3.500A) No H-bonds generated for 'chain 'AF' and resid 252 through 258' Processing helix chain 'AF' and resid 262 through 279 removed outlier: 3.895A pdb=" N LYSAF 266 " --> pdb=" O GLYAF 262 " (cutoff:3.500A) Processing helix chain 'AF' and resid 287 through 293 removed outlier: 3.886A pdb=" N ILEAF 291 " --> pdb=" O GLUAF 287 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N THRAF 293 " --> pdb=" O ASPAF 289 " (cutoff:3.500A) Processing helix chain 'AF' and resid 303 through 319 Processing helix chain 'AF' and resid 358 through 371 Processing helix chain 'AF' and resid 380 through 389 removed outlier: 6.320A pdb=" N LEUAF 384 " --> pdb=" O ASNAF 380 " (cutoff:3.500A) removed outlier: 5.322A pdb=" N ASPAF 389 " --> pdb=" O ALAAF 385 " (cutoff:3.500A) Processing helix chain 'AF' and resid 392 through 411 Processing helix chain 'AF' and resid 416 through 428 Processing helix chain 'AF' and resid 320 through 326 removed outlier: 4.557A pdb=" N ASNAF 323 " --> pdb=" O PHEAF 320 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLNAF 325 " --> pdb=" O PROAF 322 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N VALAF 326 " --> pdb=" O ASNAF 323 " (cutoff:3.500A) Processing helix chain 'BF' and resid 64 through 85 removed outlier: 4.150A pdb=" N ALABF 68 " --> pdb=" O HISBF 64 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N VALBF 82 " --> pdb=" O GLUBF 78 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N ASNBF 83 " --> pdb=" O LYSBF 79 " (cutoff:3.500A) Processing helix chain 'BF' and resid 170 through 175 Processing helix chain 'BF' and resid 184 through 189 removed outlier: 4.256A pdb=" N ILEBF 188 " --> pdb=" O GLNBF 184 " (cutoff:3.500A) removed outlier: 5.092A pdb=" N GLYBF 189 " --> pdb=" O TYRBF 185 " (cutoff:3.500A) No H-bonds generated for 'chain 'BF' and resid 184 through 189' Processing helix chain 'BF' and resid 191 through 208 Proline residue: BF 205 - end of helix Processing helix chain 'BF' and resid 209 through 216 Processing helix chain 'BF' and resid 232 through 245 removed outlier: 4.124A pdb=" N LYSBF 245 " --> pdb=" O ALABF 241 " (cutoff:3.500A) Processing helix chain 'BF' and resid 252 through 258 removed outlier: 4.352A pdb=" N LEUBF 256 " --> pdb=" O ALABF 252 " (cutoff:3.500A) removed outlier: 4.632A pdb=" N VALBF 257 " --> pdb=" O GLYBF 253 " (cutoff:3.500A) removed outlier: 5.516A pdb=" N GLNBF 258 " --> pdb=" O PROBF 254 " (cutoff:3.500A) No H-bonds generated for 'chain 'BF' and resid 252 through 258' Processing helix chain 'BF' and resid 262 through 279 removed outlier: 3.895A pdb=" N LYSBF 266 " --> pdb=" O GLYBF 262 " (cutoff:3.500A) Processing helix chain 'BF' and resid 287 through 293 removed outlier: 3.886A pdb=" N ILEBF 291 " --> pdb=" O GLUBF 287 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N THRBF 293 " --> pdb=" O ASPBF 289 " (cutoff:3.500A) Processing helix chain 'BF' and resid 303 through 319 Processing helix chain 'BF' and resid 358 through 371 Processing helix chain 'BF' and resid 380 through 389 removed outlier: 6.320A pdb=" N LEUBF 384 " --> pdb=" O ASNBF 380 " (cutoff:3.500A) removed outlier: 5.322A pdb=" N ASPBF 389 " --> pdb=" O ALABF 385 " (cutoff:3.500A) Processing helix chain 'BF' and resid 392 through 411 Processing helix chain 'BF' and resid 416 through 428 Processing helix chain 'BF' and resid 320 through 326 removed outlier: 4.557A pdb=" N ASNBF 323 " --> pdb=" O PHEBF 320 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLNBF 325 " --> pdb=" O PROBF 322 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N VALBF 326 " --> pdb=" O ASNBF 323 " (cutoff:3.500A) Processing helix chain 'AC' and resid 17 through 69 removed outlier: 3.844A pdb=" N LEUAC 25 " --> pdb=" O ARGAC 21 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N LEUAC 42 " --> pdb=" O LYSAC 38 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N LEUAC 45 " --> pdb=" O ASNAC 41 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLNAC 46 " --> pdb=" O LEUAC 42 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N VALAC 56 " --> pdb=" O LEUAC 52 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ARGAC 57 " --> pdb=" O ASNAC 53 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARGAC 60 " --> pdb=" O VALAC 56 " (cutoff:3.500A) removed outlier: 4.312A pdb=" N GLUAC 68 " --> pdb=" O GLNAC 64 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N GLNAC 69 " --> pdb=" O LEUAC 65 " (cutoff:3.500A) Processing helix chain 'AC' and resid 104 through 109 removed outlier: 4.755A pdb=" N THRAC 109 " --> pdb=" O ILEAC 105 " (cutoff:3.500A) Processing helix chain 'AC' and resid 130 through 143 removed outlier: 5.815A pdb=" N LEUAC 134 " --> pdb=" O LYSAC 130 " (cutoff:3.500A) removed outlier: 4.290A pdb=" N VALAC 135 " --> pdb=" O VALAC 131 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N LYSAC 142 " --> pdb=" O METAC 138 " (cutoff:3.500A) Processing helix chain 'AC' and resid 147 through 152 removed outlier: 3.910A pdb=" N ILEAC 151 " --> pdb=" O THRAC 147 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N GLYAC 152 " --> pdb=" O TYRAC 148 " (cutoff:3.500A) No H-bonds generated for 'chain 'AC' and resid 147 through 152' Processing helix chain 'AC' and resid 154 through 170 removed outlier: 4.157A pdb=" N GLUAC 163 " --> pdb=" O LYSAC 159 " (cutoff:3.500A) removed outlier: 4.334A pdb=" N VALAC 164 " --> pdb=" O GLUAC 160 " (cutoff:3.500A) Proline residue: AC 168 - end of helix Processing helix chain 'AC' and resid 171 through 179 removed outlier: 4.747A pdb=" N PHEAC 175 " --> pdb=" O HISAC 171 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N GLUAC 176 " --> pdb=" O PROAC 172 " (cutoff:3.500A) Processing helix chain 'AC' and resid 194 through 208 removed outlier: 6.802A pdb=" N LEUAC 198 " --> pdb=" O THRAC 194 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N ALAAC 200 " --> pdb=" O LYSAC 196 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ARGAC 201 " --> pdb=" O THRAC 197 " (cutoff:3.500A) Processing helix chain 'AC' and resid 217 through 225 removed outlier: 4.960A pdb=" N GLNAC 221 " --> pdb=" O SERAC 217 " (cutoff:3.500A) removed outlier: 6.255A pdb=" N LYSAC 222 " --> pdb=" O GLUAC 218 " (cutoff:3.500A) removed outlier: 4.858A pdb=" N GLYAC 225 " --> pdb=" O GLNAC 221 " (cutoff:3.500A) Processing helix chain 'AC' and resid 230 through 242 removed outlier: 4.163A pdb=" N ALAAC 242 " --> pdb=" O ALAAC 238 " (cutoff:3.500A) Processing helix chain 'AC' and resid 253 through 258 removed outlier: 4.160A pdb=" N SERAC 257 " --> pdb=" O SERAC 253 " (cutoff:3.500A) removed outlier: 5.205A pdb=" N ARGAC 258 " --> pdb=" O ILEAC 254 " (cutoff:3.500A) No H-bonds generated for 'chain 'AC' and resid 253 through 258' Processing helix chain 'AC' and resid 259 through 282 removed outlier: 4.873A pdb=" N SERAC 263 " --> pdb=" O LEUAC 259 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N GLYAC 264 " --> pdb=" O GLUAC 260 " (cutoff:3.500A) removed outlier: 4.400A pdb=" N VALAC 269 " --> pdb=" O GLYAC 265 " (cutoff:3.500A) Processing helix chain 'AC' and resid 296 through 308 removed outlier: 5.478A pdb=" N ILEAC 300 " --> pdb=" O ASNAC 296 " (cutoff:3.500A) removed outlier: 5.111A pdb=" N LEUAC 301 " --> pdb=" O ARGAC 297 " (cutoff:3.500A) Proline residue: AC 308 - end of helix Processing helix chain 'AC' and resid 321 through 335 removed outlier: 4.944A pdb=" N LYSAC 335 " --> pdb=" O ILEAC 331 " (cutoff:3.500A) Processing helix chain 'AC' and resid 343 through 352 removed outlier: 4.536A pdb=" N METAC 351 " --> pdb=" O ILEAC 347 " (cutoff:3.500A) Proline residue: AC 352 - end of helix Processing helix chain 'AC' and resid 355 through 374 removed outlier: 4.286A pdb=" N VALAC 359 " --> pdb=" O SERAC 355 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N LYSAC 360 " --> pdb=" O GLYAC 356 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N TYRAC 369 " --> pdb=" O GLUAC 365 " (cutoff:3.500A) Processing helix chain 'AC' and resid 379 through 394 removed outlier: 4.252A pdb=" N LYSAC 393 " --> pdb=" O LYSAC 389 " (cutoff:3.500A) removed outlier: 4.427A pdb=" N ASPAC 394 " --> pdb=" O VALAC 390 " (cutoff:3.500A) Processing helix chain 'AC' and resid 11 through 16 removed outlier: 7.019A pdb=" N ALAAC 16 " --> pdb=" O LEUAC 11 " (cutoff:3.500A) No H-bonds generated for 'chain 'AC' and resid 11 through 16' Processing helix chain 'BC' and resid 17 through 69 removed outlier: 3.844A pdb=" N LEUBC 25 " --> pdb=" O ARGBC 21 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N LEUBC 42 " --> pdb=" O LYSBC 38 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N LEUBC 45 " --> pdb=" O ASNBC 41 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N GLNBC 46 " --> pdb=" O LEUBC 42 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N VALBC 56 " --> pdb=" O LEUBC 52 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ARGBC 57 " --> pdb=" O ASNBC 53 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N ARGBC 60 " --> pdb=" O VALBC 56 " (cutoff:3.500A) removed outlier: 4.312A pdb=" N GLUBC 68 " --> pdb=" O GLNBC 64 " (cutoff:3.500A) removed outlier: 4.764A pdb=" N GLNBC 69 " --> pdb=" O LEUBC 65 " (cutoff:3.500A) Processing helix chain 'BC' and resid 104 through 109 removed outlier: 4.756A pdb=" N THRBC 109 " --> pdb=" O ILEBC 105 " (cutoff:3.500A) Processing helix chain 'BC' and resid 130 through 143 removed outlier: 5.815A pdb=" N LEUBC 134 " --> pdb=" O LYSBC 130 " (cutoff:3.500A) removed outlier: 4.290A pdb=" N VALBC 135 " --> pdb=" O VALBC 131 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N LYSBC 142 " --> pdb=" O METBC 138 " (cutoff:3.500A) Processing helix chain 'BC' and resid 147 through 152 removed outlier: 3.910A pdb=" N ILEBC 151 " --> pdb=" O THRBC 147 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N GLYBC 152 " --> pdb=" O TYRBC 148 " (cutoff:3.500A) No H-bonds generated for 'chain 'BC' and resid 147 through 152' Processing helix chain 'BC' and resid 154 through 170 removed outlier: 4.158A pdb=" N GLUBC 163 " --> pdb=" O LYSBC 159 " (cutoff:3.500A) removed outlier: 4.334A pdb=" N VALBC 164 " --> pdb=" O GLUBC 160 " (cutoff:3.500A) Proline residue: BC 168 - end of helix Processing helix chain 'BC' and resid 171 through 179 removed outlier: 4.748A pdb=" N PHEBC 175 " --> pdb=" O HISBC 171 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N GLUBC 176 " --> pdb=" O PROBC 172 " (cutoff:3.500A) Processing helix chain 'BC' and resid 194 through 208 removed outlier: 6.802A pdb=" N LEUBC 198 " --> pdb=" O THRBC 194 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N ALABC 200 " --> pdb=" O LYSBC 196 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ARGBC 201 " --> pdb=" O THRBC 197 " (cutoff:3.500A) Processing helix chain 'BC' and resid 217 through 225 removed outlier: 4.960A pdb=" N GLNBC 221 " --> pdb=" O SERBC 217 " (cutoff:3.500A) removed outlier: 6.255A pdb=" N LYSBC 222 " --> pdb=" O GLUBC 218 " (cutoff:3.500A) removed outlier: 4.858A pdb=" N GLYBC 225 " --> pdb=" O GLNBC 221 " (cutoff:3.500A) Processing helix chain 'BC' and resid 230 through 242 removed outlier: 4.163A pdb=" N ALABC 242 " --> pdb=" O ALABC 238 " (cutoff:3.500A) Processing helix chain 'BC' and resid 253 through 258 removed outlier: 4.160A pdb=" N SERBC 257 " --> pdb=" O SERBC 253 " (cutoff:3.500A) removed outlier: 5.205A pdb=" N ARGBC 258 " --> pdb=" O ILEBC 254 " (cutoff:3.500A) No H-bonds generated for 'chain 'BC' and resid 253 through 258' Processing helix chain 'BC' and resid 259 through 282 removed outlier: 4.873A pdb=" N SERBC 263 " --> pdb=" O LEUBC 259 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N GLYBC 264 " --> pdb=" O GLUBC 260 " (cutoff:3.500A) removed outlier: 4.400A pdb=" N VALBC 269 " --> pdb=" O GLYBC 265 " (cutoff:3.500A) Processing helix chain 'BC' and resid 296 through 308 removed outlier: 5.478A pdb=" N ILEBC 300 " --> pdb=" O ASNBC 296 " (cutoff:3.500A) removed outlier: 5.111A pdb=" N LEUBC 301 " --> pdb=" O ARGBC 297 " (cutoff:3.500A) Proline residue: BC 308 - end of helix Processing helix chain 'BC' and resid 321 through 335 removed outlier: 4.945A pdb=" N LYSBC 335 " --> pdb=" O ILEBC 331 " (cutoff:3.500A) Processing helix chain 'BC' and resid 343 through 352 removed outlier: 4.536A pdb=" N METBC 351 " --> pdb=" O ILEBC 347 " (cutoff:3.500A) Proline residue: BC 352 - end of helix Processing helix chain 'BC' and resid 355 through 374 removed outlier: 4.286A pdb=" N VALBC 359 " --> pdb=" O SERBC 355 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N LYSBC 360 " --> pdb=" O GLYBC 356 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N TYRBC 369 " --> pdb=" O GLUBC 365 " (cutoff:3.500A) Processing helix chain 'BC' and resid 379 through 394 removed outlier: 4.252A pdb=" N LYSBC 393 " --> pdb=" O LYSBC 389 " (cutoff:3.500A) removed outlier: 4.427A pdb=" N ASPBC 394 " --> pdb=" O VALBC 390 " (cutoff:3.500A) Processing helix chain 'BC' and resid 11 through 16 removed outlier: 7.019A pdb=" N ALABC 16 " --> pdb=" O LEUBC 11 " (cutoff:3.500A) No H-bonds generated for 'chain 'BC' and resid 11 through 16' Processing helix chain 'AG' and resid 22 through 34 removed outlier: 4.130A pdb=" N GLUAG 26 " --> pdb=" O LEUAG 22 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N LYSAG 30 " --> pdb=" O GLUAG 26 " (cutoff:3.500A) removed outlier: 4.552A pdb=" N ASNAG 33 " --> pdb=" O PHEAG 29 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N GLNAG 34 " --> pdb=" O LYSAG 30 " (cutoff:3.500A) Processing helix chain 'AG' and resid 62 through 67 removed outlier: 3.591A pdb=" N VALAG 66 " --> pdb=" O ASPAG 62 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N THRAG 67 " --> pdb=" O SERAG 63 " (cutoff:3.500A) No H-bonds generated for 'chain 'AG' and resid 62 through 67' Processing helix chain 'AG' and resid 83 through 105 removed outlier: 3.646A pdb=" N SERAG 87 " --> pdb=" O METAG 83 " (cutoff:3.500A) Processing helix chain 'AG' and resid 110 through 128 removed outlier: 6.425A pdb=" N LEUAG 114 " --> pdb=" O PROAG 110 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ASNAG 128 " --> pdb=" O VALAG 124 " (cutoff:3.500A) Processing helix chain 'AG' and resid 171 through 184 removed outlier: 3.504A pdb=" N SERAG 175 " --> pdb=" O LYSAG 171 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N SERAG 177 " --> pdb=" O THRAG 173 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N LYSAG 181 " --> pdb=" O SERAG 177 " (cutoff:3.500A) Processing helix chain 'AG' and resid 190 through 207 removed outlier: 4.255A pdb=" N LEUAG 202 " --> pdb=" O ALAAG 198 " (cutoff:3.500A) Processing helix chain 'AG' and resid 211 through 216 removed outlier: 4.643A pdb=" N ILEAG 215 " --> pdb=" O LYSAG 211 " (cutoff:3.500A) removed outlier: 5.281A pdb=" N GLUAG 216 " --> pdb=" O PROAG 212 " (cutoff:3.500A) No H-bonds generated for 'chain 'AG' and resid 211 through 216' Processing helix chain 'AG' and resid 231 through 244 removed outlier: 5.101A pdb=" N GLUAG 244 " --> pdb=" O VALAG 240 " (cutoff:3.500A) Processing helix chain 'BG' and resid 22 through 34 removed outlier: 4.129A pdb=" N GLUBG 26 " --> pdb=" O LEUBG 22 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N LYSBG 30 " --> pdb=" O GLUBG 26 " (cutoff:3.500A) removed outlier: 4.552A pdb=" N ASNBG 33 " --> pdb=" O PHEBG 29 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N GLNBG 34 " --> pdb=" O LYSBG 30 " (cutoff:3.500A) Processing helix chain 'BG' and resid 62 through 67 removed outlier: 3.591A pdb=" N VALBG 66 " --> pdb=" O ASPBG 62 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N THRBG 67 " --> pdb=" O SERBG 63 " (cutoff:3.500A) No H-bonds generated for 'chain 'BG' and resid 62 through 67' Processing helix chain 'BG' and resid 83 through 105 removed outlier: 3.646A pdb=" N SERBG 87 " --> pdb=" O METBG 83 " (cutoff:3.500A) Processing helix chain 'BG' and resid 110 through 128 removed outlier: 6.424A pdb=" N LEUBG 114 " --> pdb=" O PROBG 110 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ASNBG 128 " --> pdb=" O VALBG 124 " (cutoff:3.500A) Processing helix chain 'BG' and resid 171 through 184 removed outlier: 3.504A pdb=" N SERBG 175 " --> pdb=" O LYSBG 171 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N SERBG 177 " --> pdb=" O THRBG 173 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N LYSBG 181 " --> pdb=" O SERBG 177 " (cutoff:3.500A) Processing helix chain 'BG' and resid 190 through 207 removed outlier: 4.255A pdb=" N LEUBG 202 " --> pdb=" O ALABG 198 " (cutoff:3.500A) Processing helix chain 'BG' and resid 211 through 216 removed outlier: 4.642A pdb=" N ILEBG 215 " --> pdb=" O LYSBG 211 " (cutoff:3.500A) removed outlier: 5.281A pdb=" N GLUBG 216 " --> pdb=" O PROBG 212 " (cutoff:3.500A) No H-bonds generated for 'chain 'BG' and resid 211 through 216' Processing helix chain 'BG' and resid 231 through 244 removed outlier: 5.101A pdb=" N GLUBG 244 " --> pdb=" O VALBG 240 " (cutoff:3.500A) Processing helix chain 'AH' and resid 19 through 33 removed outlier: 5.045A pdb=" N ALAAH 33 " --> pdb=" O VALAH 29 " (cutoff:3.500A) Processing helix chain 'AH' and resid 58 through 63 removed outlier: 4.612A pdb=" N VALAH 62 " --> pdb=" O ASPAH 58 " (cutoff:3.500A) removed outlier: 5.436A pdb=" N HISAH 63 " --> pdb=" O GLUAH 59 " (cutoff:3.500A) No H-bonds generated for 'chain 'AH' and resid 58 through 63' Processing helix chain 'AH' and resid 79 through 102 removed outlier: 3.547A pdb=" N VALAH 85 " --> pdb=" O PROAH 81 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N GLNAH 95 " --> pdb=" O ARGAH 91 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N GLNAH 96 " --> pdb=" O LYSAH 92 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N TYRAH 97 " --> pdb=" O LEUAH 93 " (cutoff:3.500A) Processing helix chain 'AH' and resid 106 through 124 Processing helix chain 'AH' and resid 166 through 178 Processing helix chain 'AH' and resid 183 through 199 removed outlier: 4.278A pdb=" N SERAH 198 " --> pdb=" O THRAH 194 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N PHEAH 199 " --> pdb=" O LEUAH 195 " (cutoff:3.500A) Processing helix chain 'AH' and resid 204 through 209 removed outlier: 3.872A pdb=" N ILEAH 208 " --> pdb=" O THRAH 204 " (cutoff:3.500A) removed outlier: 5.237A pdb=" N GLUAH 209 " --> pdb=" O GLUAH 205 " (cutoff:3.500A) No H-bonds generated for 'chain 'AH' and resid 204 through 209' Processing helix chain 'AH' and resid 222 through 233 removed outlier: 3.664A pdb=" N ALAAH 231 " --> pdb=" O LYSAH 227 " (cutoff:3.500A) removed outlier: 6.427A pdb=" N ALAAH 232 " --> pdb=" O ASPAH 228 " (cutoff:3.500A) removed outlier: 4.827A pdb=" N ILEAH 233 " --> pdb=" O TYRAH 229 " (cutoff:3.500A) Processing helix chain 'BH' and resid 19 through 33 removed outlier: 5.046A pdb=" N ALABH 33 " --> pdb=" O VALBH 29 " (cutoff:3.500A) Processing helix chain 'BH' and resid 58 through 63 removed outlier: 4.612A pdb=" N VALBH 62 " --> pdb=" O ASPBH 58 " (cutoff:3.500A) removed outlier: 5.436A pdb=" N HISBH 63 " --> pdb=" O GLUBH 59 " (cutoff:3.500A) No H-bonds generated for 'chain 'BH' and resid 58 through 63' Processing helix chain 'BH' and resid 79 through 102 removed outlier: 3.546A pdb=" N VALBH 85 " --> pdb=" O PROBH 81 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N GLNBH 95 " --> pdb=" O ARGBH 91 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N GLNBH 96 " --> pdb=" O LYSBH 92 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N TYRBH 97 " --> pdb=" O LEUBH 93 " (cutoff:3.500A) Processing helix chain 'BH' and resid 106 through 124 Processing helix chain 'BH' and resid 166 through 178 Processing helix chain 'BH' and resid 183 through 199 removed outlier: 4.278A pdb=" N SERBH 198 " --> pdb=" O THRBH 194 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N PHEBH 199 " --> pdb=" O LEUBH 195 " (cutoff:3.500A) Processing helix chain 'BH' and resid 204 through 209 removed outlier: 3.873A pdb=" N ILEBH 208 " --> pdb=" O THRBH 204 " (cutoff:3.500A) removed outlier: 5.237A pdb=" N GLUBH 209 " --> pdb=" O GLUBH 205 " (cutoff:3.500A) No H-bonds generated for 'chain 'BH' and resid 204 through 209' Processing helix chain 'BH' and resid 222 through 233 removed outlier: 3.664A pdb=" N ALABH 231 " --> pdb=" O LYSBH 227 " (cutoff:3.500A) removed outlier: 6.427A pdb=" N ALABH 232 " --> pdb=" O ASPBH 228 " (cutoff:3.500A) removed outlier: 4.827A pdb=" N ILEBH 233 " --> pdb=" O TYRBH 229 " (cutoff:3.500A) Processing helix chain 'AI' and resid 2 through 7 removed outlier: 3.890A pdb=" N ASPAI 6 " --> pdb=" O SERAI 2 " (cutoff:3.500A) removed outlier: 5.792A pdb=" N SERAI 7 " --> pdb=" O ARGAI 3 " (cutoff:3.500A) No H-bonds generated for 'chain 'AI' and resid 2 through 7' Processing helix chain 'AI' and resid 18 through 32 removed outlier: 3.694A pdb=" N TYRAI 23 " --> pdb=" O TYRAI 19 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ILEAI 28 " --> pdb=" O ALAAI 24 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N HISAI 30 " --> pdb=" O GLUAI 26 " (cutoff:3.500A) removed outlier: 4.821A pdb=" N ALAAI 31 " --> pdb=" O ALAAI 27 " (cutoff:3.500A) removed outlier: 5.170A pdb=" N GLYAI 32 " --> pdb=" O ILEAI 28 " (cutoff:3.500A) Processing helix chain 'AI' and resid 79 through 102 removed outlier: 3.776A pdb=" N LEUAI 86 " --> pdb=" O ASPAI 82 " (cutoff:3.500A) Processing helix chain 'AI' and resid 106 through 123 removed outlier: 3.707A pdb=" N LEUAI 110 " --> pdb=" O PROAI 106 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N TYRAI 121 " --> pdb=" O ILEAI 117 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N THRAI 122 " --> pdb=" O LYSAI 118 " (cutoff:3.500A) Processing helix chain 'AI' and resid 167 through 179 removed outlier: 4.581A pdb=" N ALAAI 171 " --> pdb=" O ASNAI 167 " (cutoff:3.500A) Processing helix chain 'AI' and resid 185 through 201 Processing helix chain 'AI' and resid 207 through 212 removed outlier: 3.744A pdb=" N VALAI 211 " --> pdb=" O SERAI 207 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N GLUAI 212 " --> pdb=" O ALAAI 208 " (cutoff:3.500A) No H-bonds generated for 'chain 'AI' and resid 207 through 212' Processing helix chain 'AI' and resid 229 through 250 removed outlier: 3.792A pdb=" N VALAI 233 " --> pdb=" O LYSAI 229 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N LEUAI 236 " --> pdb=" O GLUAI 232 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ARGAI 249 " --> pdb=" O ALAAI 245 " (cutoff:3.500A) removed outlier: 4.688A pdb=" N GLUAI 250 " --> pdb=" O LYSAI 246 " (cutoff:3.500A) Processing helix chain 'BI' and resid 2 through 7 removed outlier: 3.890A pdb=" N ASPBI 6 " --> pdb=" O SERBI 2 " (cutoff:3.500A) removed outlier: 5.793A pdb=" N SERBI 7 " --> pdb=" O ARGBI 3 " (cutoff:3.500A) No H-bonds generated for 'chain 'BI' and resid 2 through 7' Processing helix chain 'BI' and resid 18 through 32 removed outlier: 3.693A pdb=" N TYRBI 23 " --> pdb=" O TYRBI 19 " (cutoff:3.500A) removed outlier: 4.115A pdb=" N ILEBI 28 " --> pdb=" O ALABI 24 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N HISBI 30 " --> pdb=" O GLUBI 26 " (cutoff:3.500A) removed outlier: 4.822A pdb=" N ALABI 31 " --> pdb=" O ALABI 27 " (cutoff:3.500A) removed outlier: 5.170A pdb=" N GLYBI 32 " --> pdb=" O ILEBI 28 " (cutoff:3.500A) Processing helix chain 'BI' and resid 79 through 102 removed outlier: 3.776A pdb=" N LEUBI 86 " --> pdb=" O ASPBI 82 " (cutoff:3.500A) Processing helix chain 'BI' and resid 106 through 123 removed outlier: 3.707A pdb=" N LEUBI 110 " --> pdb=" O PROBI 106 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N TYRBI 121 " --> pdb=" O ILEBI 117 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N THRBI 122 " --> pdb=" O LYSBI 118 " (cutoff:3.500A) Processing helix chain 'BI' and resid 167 through 179 removed outlier: 4.581A pdb=" N ALABI 171 " --> pdb=" O ASNBI 167 " (cutoff:3.500A) Processing helix chain 'BI' and resid 185 through 201 Processing helix chain 'BI' and resid 207 through 212 removed outlier: 3.744A pdb=" N VALBI 211 " --> pdb=" O SERBI 207 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N GLUBI 212 " --> pdb=" O ALABI 208 " (cutoff:3.500A) No H-bonds generated for 'chain 'BI' and resid 207 through 212' Processing helix chain 'BI' and resid 229 through 250 removed outlier: 3.792A pdb=" N VALBI 233 " --> pdb=" O LYSBI 229 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N LEUBI 236 " --> pdb=" O GLUBI 232 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ARGBI 249 " --> pdb=" O ALABI 245 " (cutoff:3.500A) removed outlier: 4.688A pdb=" N GLUBI 250 " --> pdb=" O LYSBI 246 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 16 through 29 removed outlier: 5.183A pdb=" N GLUAJ 20 " --> pdb=" O LEUAJ 16 " (cutoff:3.500A) removed outlier: 4.740A pdb=" N GLUAJ 24 " --> pdb=" O GLUAJ 20 " (cutoff:3.500A) removed outlier: 4.573A pdb=" N ALAAJ 25 " --> pdb=" O TYRAJ 21 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N VALAJ 26 " --> pdb=" O ALAAJ 22 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 55 through 60 removed outlier: 4.165A pdb=" N VALAJ 59 " --> pdb=" O ASPAJ 55 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 76 through 98 removed outlier: 3.508A pdb=" N ALAAJ 80 " --> pdb=" O LEUAJ 76 " (cutoff:3.500A) removed outlier: 4.598A pdb=" N VALAJ 98 " --> pdb=" O HISAJ 94 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 103 through 121 Processing helix chain 'AJ' and resid 164 through 176 removed outlier: 4.118A pdb=" N LYSAJ 174 " --> pdb=" O GLUAJ 170 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 177 through 183 removed outlier: 4.335A pdb=" N ILEAJ 181 " --> pdb=" O THRAJ 177 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N GLUAJ 182 " --> pdb=" O ASPAJ 178 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N THRAJ 183 " --> pdb=" O GLUAJ 179 " (cutoff:3.500A) No H-bonds generated for 'chain 'AJ' and resid 177 through 183' Processing helix chain 'AJ' and resid 184 through 199 removed outlier: 3.874A pdb=" N GLUAJ 197 " --> pdb=" O LYSAJ 193 " (cutoff:3.500A) removed outlier: 5.058A pdb=" N VALAJ 199 " --> pdb=" O LEUAJ 195 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 221 through 240 removed outlier: 4.173A pdb=" N ILEAJ 225 " --> pdb=" O ASNAJ 221 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N GLUAJ 226 " --> pdb=" O PROAJ 222 " (cutoff:3.500A) removed outlier: 4.015A pdb=" N GLUAJ 240 " --> pdb=" O LYSAJ 236 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 16 through 29 removed outlier: 5.183A pdb=" N GLUBJ 20 " --> pdb=" O LEUBJ 16 " (cutoff:3.500A) removed outlier: 4.740A pdb=" N GLUBJ 24 " --> pdb=" O GLUBJ 20 " (cutoff:3.500A) removed outlier: 4.573A pdb=" N ALABJ 25 " --> pdb=" O TYRBJ 21 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N VALBJ 26 " --> pdb=" O ALABJ 22 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 55 through 60 removed outlier: 4.164A pdb=" N VALBJ 59 " --> pdb=" O ASPBJ 55 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 76 through 98 removed outlier: 3.508A pdb=" N ALABJ 80 " --> pdb=" O LEUBJ 76 " (cutoff:3.500A) removed outlier: 4.598A pdb=" N VALBJ 98 " --> pdb=" O HISBJ 94 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 103 through 121 Processing helix chain 'BJ' and resid 164 through 176 removed outlier: 4.118A pdb=" N LYSBJ 174 " --> pdb=" O GLUBJ 170 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 177 through 183 removed outlier: 4.336A pdb=" N ILEBJ 181 " --> pdb=" O THRBJ 177 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLUBJ 182 " --> pdb=" O ASPBJ 178 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N THRBJ 183 " --> pdb=" O GLUBJ 179 " (cutoff:3.500A) No H-bonds generated for 'chain 'BJ' and resid 177 through 183' Processing helix chain 'BJ' and resid 184 through 199 removed outlier: 3.874A pdb=" N GLUBJ 197 " --> pdb=" O LYSBJ 193 " (cutoff:3.500A) removed outlier: 5.058A pdb=" N VALBJ 199 " --> pdb=" O LEUBJ 195 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 221 through 240 removed outlier: 4.173A pdb=" N ILEBJ 225 " --> pdb=" O ASNBJ 221 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N GLUBJ 226 " --> pdb=" O PROBJ 222 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N GLUBJ 240 " --> pdb=" O LYSBJ 236 " (cutoff:3.500A) Processing helix chain 'AK' and resid 21 through 35 removed outlier: 3.562A pdb=" N GLUAK 29 " --> pdb=" O GLUAK 25 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N ILEAK 31 " --> pdb=" O ALAAK 27 " (cutoff:3.500A) removed outlier: 4.083A pdb=" N LYSAK 32 " --> pdb=" O ILEAK 28 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N LEUAK 33 " --> pdb=" O GLUAK 29 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N GLYAK 34 " --> pdb=" O ALAAK 30 " (cutoff:3.500A) removed outlier: 5.354A pdb=" N SERAK 35 " --> pdb=" O ILEAK 31 " (cutoff:3.500A) Processing helix chain 'AK' and resid 81 through 103 removed outlier: 4.399A pdb=" N ALAAK 85 " --> pdb=" O LEUAK 81 " (cutoff:3.500A) removed outlier: 4.097A pdb=" N THRAK 87 " --> pdb=" O ALAAK 83 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N LEUAK 88 " --> pdb=" O ASPAK 84 " (cutoff:3.500A) Processing helix chain 'AK' and resid 108 through 121 removed outlier: 3.614A pdb=" N THRAK 113 " --> pdb=" O VALAK 109 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N GLNAK 114 " --> pdb=" O GLUAK 110 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N LEUAK 119 " --> pdb=" O ALAAK 115 " (cutoff:3.500A) removed outlier: 4.869A pdb=" N LEUAK 121 " --> pdb=" O SERAK 117 " (cutoff:3.500A) Processing helix chain 'AK' and resid 174 through 185 Processing helix chain 'AK' and resid 190 through 207 removed outlier: 3.629A pdb=" N ILEAK 201 " --> pdb=" O SERAK 197 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N GLUAK 207 " --> pdb=" O LYSAK 203 " (cutoff:3.500A) Processing helix chain 'AK' and resid 230 through 241 removed outlier: 3.523A pdb=" N LEUAK 234 " --> pdb=" O THRAK 230 " (cutoff:3.500A) removed outlier: 5.466A pdb=" N GLUAK 235 " --> pdb=" O LYSAK 231 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLUAK 236 " --> pdb=" O GLUAK 232 " (cutoff:3.500A) removed outlier: 4.139A pdb=" N LYSAK 239 " --> pdb=" O GLUAK 235 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ILEAK 241 " --> pdb=" O VALAK 237 " (cutoff:3.500A) Processing helix chain 'BK' and resid 21 through 35 removed outlier: 3.562A pdb=" N GLUBK 29 " --> pdb=" O GLUBK 25 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N ILEBK 31 " --> pdb=" O ALABK 27 " (cutoff:3.500A) removed outlier: 4.082A pdb=" N LYSBK 32 " --> pdb=" O ILEBK 28 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N LEUBK 33 " --> pdb=" O GLUBK 29 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N GLYBK 34 " --> pdb=" O ALABK 30 " (cutoff:3.500A) removed outlier: 5.353A pdb=" N SERBK 35 " --> pdb=" O ILEBK 31 " (cutoff:3.500A) Processing helix chain 'BK' and resid 81 through 103 removed outlier: 4.398A pdb=" N ALABK 85 " --> pdb=" O LEUBK 81 " (cutoff:3.500A) removed outlier: 4.097A pdb=" N THRBK 87 " --> pdb=" O ALABK 83 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N LEUBK 88 " --> pdb=" O ASPBK 84 " (cutoff:3.500A) Processing helix chain 'BK' and resid 108 through 121 removed outlier: 3.614A pdb=" N THRBK 113 " --> pdb=" O VALBK 109 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N GLNBK 114 " --> pdb=" O GLUBK 110 " (cutoff:3.500A) removed outlier: 4.940A pdb=" N LEUBK 119 " --> pdb=" O ALABK 115 " (cutoff:3.500A) removed outlier: 4.869A pdb=" N LEUBK 121 " --> pdb=" O SERBK 117 " (cutoff:3.500A) Processing helix chain 'BK' and resid 174 through 185 Processing helix chain 'BK' and resid 190 through 207 removed outlier: 3.629A pdb=" N ILEBK 201 " --> pdb=" O SERBK 197 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N GLUBK 207 " --> pdb=" O LYSBK 203 " (cutoff:3.500A) Processing helix chain 'BK' and resid 230 through 241 removed outlier: 3.522A pdb=" N LEUBK 234 " --> pdb=" O THRBK 230 " (cutoff:3.500A) removed outlier: 5.467A pdb=" N GLUBK 235 " --> pdb=" O LYSBK 231 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLUBK 236 " --> pdb=" O GLUBK 232 " (cutoff:3.500A) removed outlier: 4.139A pdb=" N LYSBK 239 " --> pdb=" O GLUBK 235 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ILEBK 241 " --> pdb=" O VALBK 237 " (cutoff:3.500A) Processing helix chain 'AL' and resid 19 through 32 removed outlier: 3.689A pdb=" N GLUAL 23 " --> pdb=" O ILEAL 19 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLNAL 31 " --> pdb=" O GLUAL 27 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N GLYAL 32 " --> pdb=" O ALAAL 28 " (cutoff:3.500A) Processing helix chain 'AL' and resid 77 through 99 removed outlier: 3.651A pdb=" N SERAL 95 " --> pdb=" O GLUAL 91 " (cutoff:3.500A) Processing helix chain 'AL' and resid 104 through 122 removed outlier: 4.179A pdb=" N ILEAL 118 " --> pdb=" O SERAL 114 " (cutoff:3.500A) Proline residue: AL 119 - end of helix Processing helix chain 'AL' and resid 164 through 176 removed outlier: 3.767A pdb=" N ALAAL 168 " --> pdb=" O ARGAL 164 " (cutoff:3.500A) removed outlier: 4.921A pdb=" N ARGAL 174 " --> pdb=" O THRAL 170 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N HISAL 175 " --> pdb=" O TYRAL 171 " (cutoff:3.500A) Processing helix chain 'AL' and resid 177 through 182 removed outlier: 5.175A pdb=" N GLUAL 181 " --> pdb=" O SERAL 177 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N CYSAL 182 " --> pdb=" O GLUAL 178 " (cutoff:3.500A) No H-bonds generated for 'chain 'AL' and resid 177 through 182' Processing helix chain 'AL' and resid 183 through 200 removed outlier: 4.606A pdb=" N GLUAL 197 " --> pdb=" O ARGAL 193 " (cutoff:3.500A) removed outlier: 4.459A pdb=" N THRAL 198 " --> pdb=" O ALAAL 194 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N LEUAL 199 " --> pdb=" O LEUAL 195 " (cutoff:3.500A) Proline residue: AL 200 - end of helix Processing helix chain 'AL' and resid 227 through 234 Proline residue: AL 231 - end of helix Processing helix chain 'BL' and resid 19 through 32 removed outlier: 3.689A pdb=" N GLUBL 23 " --> pdb=" O ILEBL 19 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLNBL 31 " --> pdb=" O GLUBL 27 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N GLYBL 32 " --> pdb=" O ALABL 28 " (cutoff:3.500A) Processing helix chain 'BL' and resid 77 through 99 removed outlier: 3.650A pdb=" N SERBL 95 " --> pdb=" O GLUBL 91 " (cutoff:3.500A) Processing helix chain 'BL' and resid 104 through 122 removed outlier: 4.179A pdb=" N ILEBL 118 " --> pdb=" O SERBL 114 " (cutoff:3.500A) Proline residue: BL 119 - end of helix Processing helix chain 'BL' and resid 164 through 176 removed outlier: 3.767A pdb=" N ALABL 168 " --> pdb=" O ARGBL 164 " (cutoff:3.500A) removed outlier: 4.921A pdb=" N ARGBL 174 " --> pdb=" O THRBL 170 " (cutoff:3.500A) removed outlier: 4.081A pdb=" N HISBL 175 " --> pdb=" O TYRBL 171 " (cutoff:3.500A) Processing helix chain 'BL' and resid 177 through 182 removed outlier: 5.175A pdb=" N GLUBL 181 " --> pdb=" O SERBL 177 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N CYSBL 182 " --> pdb=" O GLUBL 178 " (cutoff:3.500A) No H-bonds generated for 'chain 'BL' and resid 177 through 182' Processing helix chain 'BL' and resid 183 through 200 removed outlier: 4.607A pdb=" N GLUBL 197 " --> pdb=" O ARGBL 193 " (cutoff:3.500A) removed outlier: 4.459A pdb=" N THRBL 198 " --> pdb=" O ALABL 194 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N LEUBL 199 " --> pdb=" O LEUBL 195 " (cutoff:3.500A) Proline residue: BL 200 - end of helix Processing helix chain 'BL' and resid 227 through 234 Proline residue: BL 231 - end of helix Processing helix chain 'AM' and resid 20 through 33 removed outlier: 3.564A pdb=" N GLUAM 24 " --> pdb=" O VALAM 20 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N ASNAM 32 " --> pdb=" O LYSAM 28 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N SERAM 33 " --> pdb=" O ALAAM 29 " (cutoff:3.500A) Processing helix chain 'AM' and resid 80 through 102 Processing helix chain 'AM' and resid 107 through 125 removed outlier: 3.753A pdb=" N THRAM 123 " --> pdb=" O VALAM 119 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N LEUAM 124 " --> pdb=" O HISAM 120 " (cutoff:3.500A) removed outlier: 4.960A pdb=" N TYRAM 125 " --> pdb=" O ALAAM 121 " (cutoff:3.500A) Processing helix chain 'AM' and resid 169 through 180 removed outlier: 4.577A pdb=" N GLUAM 175 " --> pdb=" O ALAAM 171 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ILEAM 176 " --> pdb=" O ALAAM 172 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N GLUAM 177 " --> pdb=" O LYSAM 173 " (cutoff:3.500A) removed outlier: 4.941A pdb=" N LYSAM 178 " --> pdb=" O THRAM 174 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N LEUAM 179 " --> pdb=" O GLUAM 175 " (cutoff:3.500A) removed outlier: 5.007A pdb=" N GLNAM 180 " --> pdb=" O ILEAM 176 " (cutoff:3.500A) Processing helix chain 'AM' and resid 185 through 200 removed outlier: 4.229A pdb=" N LYSAM 191 " --> pdb=" O ARGAM 187 " (cutoff:3.500A) Processing helix chain 'AM' and resid 202 through 207 removed outlier: 3.875A pdb=" N ASPAM 206 " --> pdb=" O ASPAM 202 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N LYSAM 207 " --> pdb=" O GLUAM 203 " (cutoff:3.500A) No H-bonds generated for 'chain 'AM' and resid 202 through 207' Processing helix chain 'AM' and resid 228 through 233 removed outlier: 4.810A pdb=" N ARGAM 232 " --> pdb=" O PROAM 228 " (cutoff:3.500A) Processing helix chain 'AM' and resid 234 through 243 removed outlier: 3.858A pdb=" N GLUAM 241 " --> pdb=" O LYSAM 237 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEUAM 243 " --> pdb=" O ALAAM 239 " (cutoff:3.500A) Processing helix chain 'BM' and resid 20 through 33 removed outlier: 3.564A pdb=" N GLUBM 24 " --> pdb=" O VALBM 20 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N ASNBM 32 " --> pdb=" O LYSBM 28 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N SERBM 33 " --> pdb=" O ALABM 29 " (cutoff:3.500A) Processing helix chain 'BM' and resid 80 through 102 Processing helix chain 'BM' and resid 107 through 125 removed outlier: 3.752A pdb=" N THRBM 123 " --> pdb=" O VALBM 119 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N LEUBM 124 " --> pdb=" O HISBM 120 " (cutoff:3.500A) removed outlier: 4.960A pdb=" N TYRBM 125 " --> pdb=" O ALABM 121 " (cutoff:3.500A) Processing helix chain 'BM' and resid 169 through 180 removed outlier: 4.576A pdb=" N GLUBM 175 " --> pdb=" O ALABM 171 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ILEBM 176 " --> pdb=" O ALABM 172 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N GLUBM 177 " --> pdb=" O LYSBM 173 " (cutoff:3.500A) removed outlier: 4.941A pdb=" N LYSBM 178 " --> pdb=" O THRBM 174 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N LEUBM 179 " --> pdb=" O GLUBM 175 " (cutoff:3.500A) removed outlier: 5.007A pdb=" N GLNBM 180 " --> pdb=" O ILEBM 176 " (cutoff:3.500A) Processing helix chain 'BM' and resid 185 through 200 removed outlier: 4.228A pdb=" N LYSBM 191 " --> pdb=" O ARGBM 187 " (cutoff:3.500A) Processing helix chain 'BM' and resid 202 through 207 removed outlier: 3.874A pdb=" N ASPBM 206 " --> pdb=" O ASPBM 202 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N LYSBM 207 " --> pdb=" O GLUBM 203 " (cutoff:3.500A) No H-bonds generated for 'chain 'BM' and resid 202 through 207' Processing helix chain 'BM' and resid 228 through 233 removed outlier: 4.810A pdb=" N ARGBM 232 " --> pdb=" O PROBM 228 " (cutoff:3.500A) Processing helix chain 'BM' and resid 234 through 243 removed outlier: 3.858A pdb=" N GLUBM 241 " --> pdb=" O LYSBM 237 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEUBM 243 " --> pdb=" O ALABM 239 " (cutoff:3.500A) Processing helix chain 'AN' and resid 48 through 71 Processing helix chain 'AN' and resid 75 through 91 removed outlier: 3.577A pdb=" N LEUAN 82 " --> pdb=" O THRAN 78 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N PHEAN 83 " --> pdb=" O ALAAN 79 " (cutoff:3.500A) Processing helix chain 'AN' and resid 132 through 139 removed outlier: 5.048A pdb=" N GLYAN 137 " --> pdb=" O SERAN 133 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N TYRAN 138 " --> pdb=" O TYRAN 134 " (cutoff:3.500A) Processing helix chain 'AN' and resid 148 through 167 Processing helix chain 'BN' and resid 48 through 71 Processing helix chain 'BN' and resid 75 through 91 removed outlier: 3.577A pdb=" N LEUBN 82 " --> pdb=" O THRBN 78 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N PHEBN 83 " --> pdb=" O ALABN 79 " (cutoff:3.500A) Processing helix chain 'BN' and resid 132 through 139 removed outlier: 5.048A pdb=" N GLYBN 137 " --> pdb=" O SERBN 133 " (cutoff:3.500A) removed outlier: 4.579A pdb=" N TYRBN 138 " --> pdb=" O TYRBN 134 " (cutoff:3.500A) Processing helix chain 'BN' and resid 148 through 167 Processing helix chain 'AO' and resid 48 through 71 Processing helix chain 'AO' and resid 75 through 91 removed outlier: 3.583A pdb=" N ALAAO 79 " --> pdb=" O ARGAO 75 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N GLNAO 91 " --> pdb=" O LEUAO 87 " (cutoff:3.500A) Processing helix chain 'AO' and resid 130 through 141 removed outlier: 3.762A pdb=" N ALAAO 134 " --> pdb=" O GLYAO 130 " (cutoff:3.500A) Processing helix chain 'AO' and resid 147 through 166 Processing helix chain 'BO' and resid 48 through 71 Processing helix chain 'BO' and resid 75 through 91 removed outlier: 3.582A pdb=" N ALABO 79 " --> pdb=" O ARGBO 75 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N GLNBO 91 " --> pdb=" O LEUBO 87 " (cutoff:3.500A) Processing helix chain 'BO' and resid 130 through 141 removed outlier: 3.761A pdb=" N ALABO 134 " --> pdb=" O GLYBO 130 " (cutoff:3.500A) Processing helix chain 'BO' and resid 147 through 166 Processing helix chain 'AP' and resid 3 through 8 removed outlier: 4.974A pdb=" N ASNAP 7 " --> pdb=" O ILEAP 3 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N GLYAP 8 " --> pdb=" O METAP 4 " (cutoff:3.500A) No H-bonds generated for 'chain 'AP' and resid 3 through 8' Processing helix chain 'AP' and resid 56 through 79 removed outlier: 4.079A pdb=" N GLYAP 79 " --> pdb=" O GLUAP 75 " (cutoff:3.500A) Processing helix chain 'AP' and resid 83 through 99 removed outlier: 4.364A pdb=" N LYSAP 98 " --> pdb=" O LEUAP 94 " (cutoff:3.500A) removed outlier: 4.837A pdb=" N ARGAP 99 " --> pdb=" O LEUAP 95 " (cutoff:3.500A) Processing helix chain 'AP' and resid 142 through 154 removed outlier: 4.120A pdb=" N METAP 146 " --> pdb=" O CYSAP 142 " (cutoff:3.500A) Processing helix chain 'AP' and resid 159 through 179 removed outlier: 4.065A pdb=" N ARGAP 177 " --> pdb=" O ASNAP 173 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N ASPAP 178 " --> pdb=" O ALAAP 174 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N ALAAP 179 " --> pdb=" O VALAP 175 " (cutoff:3.500A) Processing helix chain 'BP' and resid 3 through 8 removed outlier: 4.975A pdb=" N ASNBP 7 " --> pdb=" O ILEBP 3 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N GLYBP 8 " --> pdb=" O METBP 4 " (cutoff:3.500A) No H-bonds generated for 'chain 'BP' and resid 3 through 8' Processing helix chain 'BP' and resid 56 through 79 removed outlier: 4.079A pdb=" N GLYBP 79 " --> pdb=" O GLUBP 75 " (cutoff:3.500A) Processing helix chain 'BP' and resid 83 through 99 removed outlier: 4.363A pdb=" N LYSBP 98 " --> pdb=" O LEUBP 94 " (cutoff:3.500A) removed outlier: 4.838A pdb=" N ARGBP 99 " --> pdb=" O LEUBP 95 " (cutoff:3.500A) Processing helix chain 'BP' and resid 142 through 154 removed outlier: 4.120A pdb=" N METBP 146 " --> pdb=" O CYSBP 142 " (cutoff:3.500A) Processing helix chain 'BP' and resid 159 through 179 removed outlier: 4.066A pdb=" N ARGBP 177 " --> pdb=" O ASNBP 173 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N ASPBP 178 " --> pdb=" O ALABP 174 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N ALABP 179 " --> pdb=" O VALBP 175 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 49 through 72 removed outlier: 4.230A pdb=" N VALAQ 54 " --> pdb=" O ALAAQ 50 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N GLNAQ 55 " --> pdb=" O GLYAQ 51 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 76 through 94 removed outlier: 4.114A pdb=" N ARGAQ 93 " --> pdb=" O ALAAQ 89 " (cutoff:3.500A) removed outlier: 4.850A pdb=" N SERAQ 94 " --> pdb=" O ASPAQ 90 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 134 through 144 removed outlier: 4.536A pdb=" N LEUAQ 138 " --> pdb=" O TYRAQ 134 " (cutoff:3.500A) removed outlier: 4.509A pdb=" N SERAQ 141 " --> pdb=" O PHEAQ 137 " (cutoff:3.500A) removed outlier: 4.757A pdb=" N ILEAQ 142 " --> pdb=" O LEUAQ 138 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 152 through 169 removed outlier: 4.075A pdb=" N GLNAQ 168 " --> pdb=" O LEUAQ 164 " (cutoff:3.500A) removed outlier: 5.199A pdb=" N LYSAQ 169 " --> pdb=" O GLUAQ 165 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 49 through 72 removed outlier: 4.230A pdb=" N VALBQ 54 " --> pdb=" O ALABQ 50 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N GLNBQ 55 " --> pdb=" O GLYBQ 51 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 76 through 94 removed outlier: 4.114A pdb=" N ARGBQ 93 " --> pdb=" O ALABQ 89 " (cutoff:3.500A) removed outlier: 4.850A pdb=" N SERBQ 94 " --> pdb=" O ASPBQ 90 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 134 through 144 removed outlier: 4.536A pdb=" N LEUBQ 138 " --> pdb=" O TYRBQ 134 " (cutoff:3.500A) removed outlier: 4.509A pdb=" N SERBQ 141 " --> pdb=" O PHEBQ 137 " (cutoff:3.500A) removed outlier: 4.757A pdb=" N ILEBQ 142 " --> pdb=" O LEUBQ 138 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 152 through 169 removed outlier: 4.076A pdb=" N GLNBQ 168 " --> pdb=" O LEUBQ 164 " (cutoff:3.500A) removed outlier: 5.199A pdb=" N LYSBQ 169 " --> pdb=" O GLUBQ 165 " (cutoff:3.500A) Processing helix chain 'AR' and resid 48 through 71 removed outlier: 3.544A pdb=" N CYSAR 52 " --> pdb=" O GLYAR 48 " (cutoff:3.500A) Processing helix chain 'AR' and resid 75 through 91 removed outlier: 3.712A pdb=" N GLNAR 89 " --> pdb=" O ASNAR 85 " (cutoff:3.500A) removed outlier: 4.768A pdb=" N TYRAR 90 " --> pdb=" O METAR 86 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N LYSAR 91 " --> pdb=" O VALAR 87 " (cutoff:3.500A) Processing helix chain 'AR' and resid 131 through 143 removed outlier: 3.633A pdb=" N ALAAR 135 " --> pdb=" O GLYAR 131 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N VALAR 138 " --> pdb=" O TYRAR 134 " (cutoff:3.500A) Processing helix chain 'AR' and resid 148 through 167 removed outlier: 3.757A pdb=" N ASPAR 154 " --> pdb=" O GLUAR 150 " (cutoff:3.500A) Processing helix chain 'AR' and resid 191 through 200 Processing helix chain 'BR' and resid 48 through 71 removed outlier: 3.544A pdb=" N CYSBR 52 " --> pdb=" O GLYBR 48 " (cutoff:3.500A) Processing helix chain 'BR' and resid 75 through 91 removed outlier: 3.712A pdb=" N GLNBR 89 " --> pdb=" O ASNBR 85 " (cutoff:3.500A) removed outlier: 4.769A pdb=" N TYRBR 90 " --> pdb=" O METBR 86 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N LYSBR 91 " --> pdb=" O VALBR 87 " (cutoff:3.500A) Processing helix chain 'BR' and resid 131 through 143 removed outlier: 3.633A pdb=" N ALABR 135 " --> pdb=" O GLYBR 131 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N VALBR 138 " --> pdb=" O TYRBR 134 " (cutoff:3.500A) Processing helix chain 'BR' and resid 148 through 167 removed outlier: 3.757A pdb=" N ASPBR 154 " --> pdb=" O GLUBR 150 " (cutoff:3.500A) Processing helix chain 'BR' and resid 191 through 200 Processing helix chain 'AS' and resid 57 through 80 Processing helix chain 'AS' and resid 84 through 100 removed outlier: 3.944A pdb=" N ARGAS 99 " --> pdb=" O ILEAS 95 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ARGAS 100 " --> pdb=" O LEUAS 96 " (cutoff:3.500A) Processing helix chain 'AS' and resid 141 through 153 Proline residue: AS 147 - end of helix Processing helix chain 'AS' and resid 167 through 186 removed outlier: 3.943A pdb=" N ARGAS 185 " --> pdb=" O SERAS 181 " (cutoff:3.500A) Processing helix chain 'BS' and resid 57 through 80 Processing helix chain 'BS' and resid 84 through 100 removed outlier: 3.944A pdb=" N ARGBS 99 " --> pdb=" O ILEBS 95 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ARGBS 100 " --> pdb=" O LEUBS 96 " (cutoff:3.500A) Processing helix chain 'BS' and resid 141 through 153 Proline residue: BS 147 - end of helix Processing helix chain 'BS' and resid 167 through 186 removed outlier: 3.943A pdb=" N ARGBS 185 " --> pdb=" O SERBS 181 " (cutoff:3.500A) Processing helix chain 'AT' and resid 56 through 78 removed outlier: 3.687A pdb=" N PHEAT 60 " --> pdb=" O ASPAT 56 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ILEAT 72 " --> pdb=" O GLYAT 68 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEUAT 77 " --> pdb=" O ASPAT 73 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLYAT 78 " --> pdb=" O GLUAT 74 " (cutoff:3.500A) Processing helix chain 'AT' and resid 84 through 103 removed outlier: 3.707A pdb=" N LYSAT 102 " --> pdb=" O SERAT 98 " (cutoff:3.500A) Processing helix chain 'AT' and resid 140 through 157 removed outlier: 4.170A pdb=" N TYRAT 144 " --> pdb=" O GLYAT 140 " (cutoff:3.500A) removed outlier: 4.493A pdb=" N GLNAT 147 " --> pdb=" O ALAAT 143 " (cutoff:3.500A) Proline residue: AT 148 - end of helix Processing helix chain 'AT' and resid 161 through 180 Processing helix chain 'AT' and resid 209 through 215 removed outlier: 4.408A pdb=" N HISAT 213 " --> pdb=" O TRPAT 209 " (cutoff:3.500A) removed outlier: 4.266A pdb=" N METAT 214 " --> pdb=" O ASPAT 210 " (cutoff:3.500A) removed outlier: 5.598A pdb=" N ILEAT 215 " --> pdb=" O ILEAT 211 " (cutoff:3.500A) No H-bonds generated for 'chain 'AT' and resid 209 through 215' Processing helix chain 'BT' and resid 56 through 78 removed outlier: 3.687A pdb=" N PHEBT 60 " --> pdb=" O ASPBT 56 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ILEBT 72 " --> pdb=" O GLYBT 68 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N LEUBT 77 " --> pdb=" O ASPBT 73 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLYBT 78 " --> pdb=" O GLUBT 74 " (cutoff:3.500A) Processing helix chain 'BT' and resid 84 through 103 removed outlier: 3.707A pdb=" N LYSBT 102 " --> pdb=" O SERBT 98 " (cutoff:3.500A) Processing helix chain 'BT' and resid 140 through 157 removed outlier: 4.170A pdb=" N TYRBT 144 " --> pdb=" O GLYBT 140 " (cutoff:3.500A) removed outlier: 4.494A pdb=" N GLNBT 147 " --> pdb=" O ALABT 143 " (cutoff:3.500A) Proline residue: BT 148 - end of helix Processing helix chain 'BT' and resid 161 through 180 Processing helix chain 'BT' and resid 209 through 215 removed outlier: 4.409A pdb=" N HISBT 213 " --> pdb=" O TRPBT 209 " (cutoff:3.500A) removed outlier: 4.266A pdb=" N METBT 214 " --> pdb=" O ASPBT 210 " (cutoff:3.500A) removed outlier: 5.598A pdb=" N ILEBT 215 " --> pdb=" O ILEBT 211 " (cutoff:3.500A) No H-bonds generated for 'chain 'BT' and resid 209 through 215' Processing sheet with id= 1, first strand: chain 'AU' and resid 801 through 804 No H-bonds generated for sheet with id= 1 Processing sheet with id= 2, first strand: chain 'BU' and resid 801 through 804 No H-bonds generated for sheet with id= 2 Processing sheet with id= 3, first strand: chain 'AW' and resid 404 through 408 removed outlier: 3.624A pdb=" N ILEAW 412 " --> pdb=" O ASPAW 407 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'BW' and resid 404 through 408 removed outlier: 3.624A pdb=" N ILEBW 412 " --> pdb=" O ASPBW 407 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'AX' and resid 376 through 380 No H-bonds generated for sheet with id= 5 Processing sheet with id= 6, first strand: chain 'BX' and resid 376 through 380 No H-bonds generated for sheet with id= 6 Processing sheet with id= 7, first strand: chain 'AY' and resid 345 through 348 removed outlier: 3.504A pdb=" N ILEAY 353 " --> pdb=" O ASPAY 348 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'BY' and resid 345 through 348 removed outlier: 3.503A pdb=" N ILEBY 353 " --> pdb=" O ASPBY 348 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'AZ' and resid 36 through 40 removed outlier: 3.530A pdb=" N GLYAZ 93 " --> pdb=" O LEUAZ 39 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'AZ' and resid 47 through 50 removed outlier: 3.618A pdb=" N ILEAZ 123 " --> pdb=" O GLUAZ 136 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'BZ' and resid 36 through 40 removed outlier: 3.529A pdb=" N GLYBZ 93 " --> pdb=" O LEUBZ 39 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'BZ' and resid 47 through 50 removed outlier: 3.618A pdb=" N ILEBZ 123 " --> pdb=" O GLUBZ 136 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'Aa' and resid 321 through 326 removed outlier: 3.725A pdb=" N LYSAa 321 " --> pdb=" O THRAa 334 " (cutoff:3.500A) removed outlier: 5.256A pdb=" N THRAa 334 " --> pdb=" O LYSAa 321 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'Ba' and resid 321 through 326 removed outlier: 3.724A pdb=" N LYSBa 321 " --> pdb=" O THRBa 334 " (cutoff:3.500A) removed outlier: 5.255A pdb=" N THRBa 334 " --> pdb=" O LYSBa 321 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'Ab' and resid 5 through 10 removed outlier: 3.572A pdb=" N THRAb 6 " --> pdb=" O ASNAb 48 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N GLYAb 50 " --> pdb=" O THRAb 6 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'Ab' and resid 108 through 114 No H-bonds generated for sheet with id= 16 Processing sheet with id= 17, first strand: chain 'Bb' and resid 5 through 10 removed outlier: 3.571A pdb=" N THRBb 6 " --> pdb=" O ASNBb 48 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N GLYBb 50 " --> pdb=" O THRBb 6 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'Bb' and resid 108 through 114 No H-bonds generated for sheet with id= 18 Processing sheet with id= 19, first strand: chain 'Ac' and resid 52 through 58 removed outlier: 4.295A pdb=" N VALAc 53 " --> pdb=" O SERAc 114 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N SERAc 114 " --> pdb=" O VALAc 53 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'Ac' and resid 65 through 69 removed outlier: 6.682A pdb=" N GLUAc 29 " --> pdb=" O SERAc 202 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N THRAc 204 " --> pdb=" O GLUAc 29 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N ILEAc 33 " --> pdb=" O ASNAc 206 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VALAc 144 " --> pdb=" O ASPAc 158 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'Bc' and resid 52 through 58 removed outlier: 4.295A pdb=" N VALBc 53 " --> pdb=" O SERBc 114 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N SERBc 114 " --> pdb=" O VALBc 53 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'Bc' and resid 65 through 69 removed outlier: 6.682A pdb=" N GLUBc 29 " --> pdb=" O SERBc 202 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N THRBc 204 " --> pdb=" O GLUBc 29 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N ILEBc 33 " --> pdb=" O ASNBc 206 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VALBc 144 " --> pdb=" O ASPBc 158 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'AA' and resid 120 through 123 removed outlier: 7.204A pdb=" N ILEAA 112 " --> pdb=" O ASNAA 103 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ILEAA 102 " --> pdb=" O METAA 138 " (cutoff:3.500A) removed outlier: 4.830A pdb=" N METAA 138 " --> pdb=" O ILEAA 102 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N ARGAA 139 " --> pdb=" O LEUAA 153 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ILEAA 151 " --> pdb=" O GLYAA 141 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'AA' and resid 236 through 240 removed outlier: 3.649A pdb=" N LEUAA 271 " --> pdb=" O CYSAA 236 " (cutoff:3.500A) removed outlier: 4.923A pdb=" N LYSAA 316 " --> pdb=" O CYSAA 270 " (cutoff:3.500A) removed outlier: 5.182A pdb=" N ILEAA 272 " --> pdb=" O LYSAA 316 " (cutoff:3.500A) removed outlier: 9.181A pdb=" N LYSAA 210 " --> pdb=" O ILEAA 315 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N VALAA 317 " --> pdb=" O LYSAA 210 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N VALAA 212 " --> pdb=" O VALAA 317 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N METAA 319 " --> pdb=" O VALAA 212 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLYAA 216 " --> pdb=" O THRAA 321 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N ARGAA 339 " --> pdb=" O GLYAA 211 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LEUAA 213 " --> pdb=" O ARGAA 339 " (cutoff:3.500A) removed outlier: 4.137A pdb=" N PHEAA 215 " --> pdb=" O ILEAA 341 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'BA' and resid 120 through 123 removed outlier: 7.204A pdb=" N ILEBA 112 " --> pdb=" O ASNBA 103 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ILEBA 102 " --> pdb=" O METBA 138 " (cutoff:3.500A) removed outlier: 4.830A pdb=" N METBA 138 " --> pdb=" O ILEBA 102 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N ARGBA 139 " --> pdb=" O LEUBA 153 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N ILEBA 151 " --> pdb=" O GLYBA 141 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'BA' and resid 236 through 240 removed outlier: 3.649A pdb=" N LEUBA 271 " --> pdb=" O CYSBA 236 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LYSBA 316 " --> pdb=" O CYSBA 270 " (cutoff:3.500A) removed outlier: 5.181A pdb=" N ILEBA 272 " --> pdb=" O LYSBA 316 " (cutoff:3.500A) removed outlier: 9.181A pdb=" N LYSBA 210 " --> pdb=" O ILEBA 315 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N VALBA 317 " --> pdb=" O LYSBA 210 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N VALBA 212 " --> pdb=" O VALBA 317 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N METBA 319 " --> pdb=" O VALBA 212 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N GLYBA 216 " --> pdb=" O THRBA 321 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N ARGBA 339 " --> pdb=" O GLYBA 211 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUBA 213 " --> pdb=" O ARGBA 339 " (cutoff:3.500A) removed outlier: 4.137A pdb=" N PHEBA 215 " --> pdb=" O ILEBA 341 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'AB' and resid 129 through 134 removed outlier: 3.588A pdb=" N THRAB 125 " --> pdb=" O SERAB 129 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N HISAB 131 " --> pdb=" O VALAB 123 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N VALAB 123 " --> pdb=" O HISAB 131 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N VALAB 133 " --> pdb=" O ALAAB 121 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ALAAB 121 " --> pdb=" O VALAB 133 " (cutoff:3.500A) removed outlier: 6.867A pdb=" N ILEAB 122 " --> pdb=" O GLUAB 113 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N CYSAB 148 " --> pdb=" O LEUAB 112 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'AB' and resid 246 through 251 removed outlier: 4.365A pdb=" N ASPAB 285 " --> pdb=" O VALAB 250 " (cutoff:3.500A) removed outlier: 5.237A pdb=" N ARGAB 349 " --> pdb=" O GLYAB 221 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N TYRAB 225 " --> pdb=" O ILEAB 351 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'BB' and resid 129 through 134 removed outlier: 3.588A pdb=" N THRBB 125 " --> pdb=" O SERBB 129 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N HISBB 131 " --> pdb=" O VALBB 123 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N VALBB 123 " --> pdb=" O HISBB 131 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N VALBB 133 " --> pdb=" O ALABB 121 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ALABB 121 " --> pdb=" O VALBB 133 " (cutoff:3.500A) removed outlier: 6.866A pdb=" N ILEBB 122 " --> pdb=" O GLUBB 113 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N CYSBB 148 " --> pdb=" O LEUBB 112 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'BB' and resid 246 through 251 removed outlier: 4.365A pdb=" N ASPBB 285 " --> pdb=" O VALBB 250 " (cutoff:3.500A) removed outlier: 5.237A pdb=" N ARGBB 349 " --> pdb=" O GLYBB 221 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N TYRBB 225 " --> pdb=" O ILEBB 351 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'AD' and resid 109 through 114 removed outlier: 3.889A pdb=" N SERAD 109 " --> pdb=" O SERAD 105 " (cutoff:3.500A) removed outlier: 5.567A pdb=" N GLYAD 104 " --> pdb=" O PHEAD 92 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N PHEAD 92 " --> pdb=" O GLYAD 104 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'AD' and resid 226 through 231 removed outlier: 3.882A pdb=" N ALAAD 226 " --> pdb=" O PROAD 259 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N VALAD 230 " --> pdb=" O PHEAD 263 " (cutoff:3.500A) removed outlier: 5.299A pdb=" N ALAAD 260 " --> pdb=" O ASNAD 304 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ILEAD 264 " --> pdb=" O ILEAD 308 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N ALAAD 310 " --> pdb=" O ILEAD 264 " (cutoff:3.500A) removed outlier: 4.730A pdb=" N GLYAD 206 " --> pdb=" O THRAD 311 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'BD' and resid 109 through 114 removed outlier: 3.888A pdb=" N SERBD 109 " --> pdb=" O SERBD 105 " (cutoff:3.500A) removed outlier: 5.567A pdb=" N GLYBD 104 " --> pdb=" O PHEBD 92 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N PHEBD 92 " --> pdb=" O GLYBD 104 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'BD' and resid 226 through 231 removed outlier: 3.882A pdb=" N ALABD 226 " --> pdb=" O PROBD 259 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N VALBD 230 " --> pdb=" O PHEBD 263 " (cutoff:3.500A) removed outlier: 5.298A pdb=" N ALABD 260 " --> pdb=" O ASNBD 304 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ILEBD 264 " --> pdb=" O ILEBD 308 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N ALABD 310 " --> pdb=" O ILEBD 264 " (cutoff:3.500A) removed outlier: 4.730A pdb=" N GLYBD 206 " --> pdb=" O THRBD 311 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'AE' and resid 76 through 82 removed outlier: 6.879A pdb=" N ILEAE 70 " --> pdb=" O LEUAE 61 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N THRAE 96 " --> pdb=" O VALAE 60 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'AE' and resid 194 through 198 removed outlier: 3.854A pdb=" N ASNAE 194 " --> pdb=" O PROAE 227 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N VALAE 198 " --> pdb=" O PHEAE 231 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N METAE 277 " --> pdb=" O CYSAE 170 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N TYRAE 173 " --> pdb=" O ILEAE 299 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'BE' and resid 76 through 82 removed outlier: 6.879A pdb=" N ILEBE 70 " --> pdb=" O LEUBE 61 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N THRBE 96 " --> pdb=" O VALBE 60 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'BE' and resid 194 through 198 removed outlier: 3.854A pdb=" N ASNBE 194 " --> pdb=" O PROBE 227 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N VALBE 198 " --> pdb=" O PHEBE 231 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N METBE 277 " --> pdb=" O CYSBE 170 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N TYRBE 173 " --> pdb=" O ILEBE 299 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'AF' and resid 130 through 135 removed outlier: 4.616A pdb=" N GLNAF 130 " --> pdb=" O THRAF 126 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N ASNAF 92 " --> pdb=" O LYSAF 125 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLYAF 148 " --> pdb=" O VALAF 93 " (cutoff:3.500A) removed outlier: 5.986A pdb=" N GLUAF 95 " --> pdb=" O LYSAF 146 " (cutoff:3.500A) removed outlier: 8.245A pdb=" N LYSAF 146 " --> pdb=" O GLUAF 95 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'AF' and resid 247 through 251 removed outlier: 3.809A pdb=" N ASPAF 286 " --> pdb=" O LEUAF 251 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ILEAF 283 " --> pdb=" O LYSAF 327 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N VALAF 223 " --> pdb=" O VALAF 328 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLYAF 227 " --> pdb=" O THRAF 332 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ARGAF 350 " --> pdb=" O GLYAF 222 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ILEAF 352 " --> pdb=" O LEUAF 224 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N TYRAF 226 " --> pdb=" O ILEAF 352 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'BF' and resid 130 through 135 removed outlier: 4.616A pdb=" N GLNBF 130 " --> pdb=" O THRBF 126 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N ASNBF 92 " --> pdb=" O LYSBF 125 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLYBF 148 " --> pdb=" O VALBF 93 " (cutoff:3.500A) removed outlier: 5.986A pdb=" N GLUBF 95 " --> pdb=" O LYSBF 146 " (cutoff:3.500A) removed outlier: 8.244A pdb=" N LYSBF 146 " --> pdb=" O GLUBF 95 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'BF' and resid 247 through 251 removed outlier: 3.810A pdb=" N ASPBF 286 " --> pdb=" O LEUBF 251 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ILEBF 283 " --> pdb=" O LYSBF 327 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N VALBF 223 " --> pdb=" O VALBF 328 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLYBF 227 " --> pdb=" O THRBF 332 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ARGBF 350 " --> pdb=" O GLYBF 222 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N ILEBF 352 " --> pdb=" O LEUBF 224 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N TYRBF 226 " --> pdb=" O ILEBF 352 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'AC' and resid 78 through 81 removed outlier: 4.030A pdb=" N LYSAC 84 " --> pdb=" O METAC 80 " (cutoff:3.500A) removed outlier: 6.996A pdb=" N LEUAC 86 " --> pdb=" O VALAC 77 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N CYSAC 112 " --> pdb=" O VALAC 76 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'AC' and resid 209 through 214 removed outlier: 3.636A pdb=" N SERAC 244 " --> pdb=" O ASNAC 288 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N ALAAC 294 " --> pdb=" O METAC 248 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ARGAC 313 " --> pdb=" O GLYAC 185 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N ILEAC 315 " --> pdb=" O LEUAC 187 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N TYRAC 189 " --> pdb=" O ILEAC 315 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'AC' and resid 84 through 88 Processing sheet with id= 46, first strand: chain 'BC' and resid 78 through 81 removed outlier: 4.030A pdb=" N LYSBC 84 " --> pdb=" O METBC 80 " (cutoff:3.500A) removed outlier: 6.996A pdb=" N LEUBC 86 " --> pdb=" O VALBC 77 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N CYSBC 112 " --> pdb=" O VALBC 76 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'BC' and resid 209 through 214 removed outlier: 3.636A pdb=" N SERBC 244 " --> pdb=" O ASNBC 288 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N ALABC 294 " --> pdb=" O METBC 248 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ARGBC 313 " --> pdb=" O GLYBC 185 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N ILEBC 315 " --> pdb=" O LEUBC 187 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N TYRBC 189 " --> pdb=" O ILEBC 315 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'BC' and resid 84 through 88 Processing sheet with id= 49, first strand: chain 'AG' and resid 39 through 43 removed outlier: 5.439A pdb=" N VALAG 217 " --> pdb=" O LEUAG 230 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'AG' and resid 69 through 72 removed outlier: 6.529A pdb=" N ILEAG 76 " --> pdb=" O ILEAG 72 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N GLYAG 77 " --> pdb=" O ILEAG 141 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N CYSAG 137 " --> pdb=" O THRAG 81 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLYAG 142 " --> pdb=" O GLNAG 150 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N VALAG 151 " --> pdb=" O PHEAG 163 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'BG' and resid 39 through 43 removed outlier: 5.439A pdb=" N VALBG 217 " --> pdb=" O LEUBG 230 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'BG' and resid 69 through 72 removed outlier: 6.530A pdb=" N ILEBG 76 " --> pdb=" O ILEBG 72 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N GLYBG 77 " --> pdb=" O ILEBG 141 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N CYSBG 137 " --> pdb=" O THRBG 81 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLYBG 142 " --> pdb=" O GLNBG 150 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N VALBG 151 " --> pdb=" O PHEBG 163 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'AH' and resid 65 through 68 removed outlier: 3.528A pdb=" N GLUAH 66 " --> pdb=" O LEUAH 74 " (cutoff:3.500A) removed outlier: 4.196A pdb=" N LEUAH 74 " --> pdb=" O GLUAH 66 " (cutoff:3.500A) removed outlier: 6.570A pdb=" N ILEAH 72 " --> pdb=" O ILEAH 68 " (cutoff:3.500A) removed outlier: 6.227A pdb=" N HISAH 71 " --> pdb=" O TRPAH 139 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N CYSAH 137 " --> pdb=" O GLYAH 73 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N LEUAH 134 " --> pdb=" O SERAH 149 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'AH' and resid 160 through 164 Processing sheet with id= 55, first strand: chain 'BH' and resid 65 through 68 removed outlier: 3.528A pdb=" N GLUBH 66 " --> pdb=" O LEUBH 74 " (cutoff:3.500A) removed outlier: 4.196A pdb=" N LEUBH 74 " --> pdb=" O GLUBH 66 " (cutoff:3.500A) removed outlier: 6.570A pdb=" N ILEBH 72 " --> pdb=" O ILEBH 68 " (cutoff:3.500A) removed outlier: 6.227A pdb=" N HISBH 71 " --> pdb=" O TRPBH 139 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N CYSBH 137 " --> pdb=" O GLYBH 73 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N LEUBH 134 " --> pdb=" O SERBH 149 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'BH' and resid 160 through 164 Processing sheet with id= 57, first strand: chain 'AI' and resid 33 through 37 removed outlier: 5.238A pdb=" N THRAI 33 " --> pdb=" O GLUAI 48 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N ILEAI 37 " --> pdb=" O LEUAI 44 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N LEUAI 44 " --> pdb=" O ILEAI 37 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'AI' and resid 64 through 67 removed outlier: 6.658A pdb=" N LYSAI 64 " --> pdb=" O VALAI 76 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N SERAI 75 " --> pdb=" O LEUAI 135 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N LEUAI 134 " --> pdb=" O SERAI 150 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N GLYAI 138 " --> pdb=" O GLNAI 146 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N LEUAI 147 " --> pdb=" O TRPAI 159 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLNAI 149 " --> pdb=" O GLYAI 157 " (cutoff:3.500A) removed outlier: 4.306A pdb=" N ASNAI 155 " --> pdb=" O ASPAI 151 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'BI' and resid 33 through 37 removed outlier: 5.238A pdb=" N THRBI 33 " --> pdb=" O GLUBI 48 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N ILEBI 37 " --> pdb=" O LEUBI 44 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N LEUBI 44 " --> pdb=" O ILEBI 37 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'BI' and resid 64 through 67 removed outlier: 6.658A pdb=" N LYSBI 64 " --> pdb=" O VALBI 76 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N SERBI 75 " --> pdb=" O LEUBI 135 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N LEUBI 134 " --> pdb=" O SERBI 150 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N GLYBI 138 " --> pdb=" O GLNBI 146 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N LEUBI 147 " --> pdb=" O TRPBI 159 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLNBI 149 " --> pdb=" O GLYBI 157 " (cutoff:3.500A) removed outlier: 4.306A pdb=" N ASNBI 155 " --> pdb=" O ASPBI 151 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'AJ' and resid 69 through 75 removed outlier: 3.950A pdb=" N SERAJ 130 " --> pdb=" O ALAAJ 74 " (cutoff:3.500A) removed outlier: 4.441A pdb=" N ALAAJ 131 " --> pdb=" O THRAJ 147 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ARGAJ 143 " --> pdb=" O GLYAJ 135 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'AJ' and resid 158 through 162 removed outlier: 4.090A pdb=" N GLYAJ 34 " --> pdb=" O ASNAJ 159 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ILEAJ 161 " --> pdb=" O ALAAJ 32 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N ALAAJ 32 " --> pdb=" O ILEAJ 161 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N THRAJ 31 " --> pdb=" O GLUAJ 46 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ALAAJ 209 " --> pdb=" O LEUAJ 43 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'BJ' and resid 69 through 75 removed outlier: 3.949A pdb=" N SERBJ 130 " --> pdb=" O ALABJ 74 " (cutoff:3.500A) removed outlier: 4.441A pdb=" N ALABJ 131 " --> pdb=" O THRBJ 147 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ARGBJ 143 " --> pdb=" O GLYBJ 135 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'BJ' and resid 158 through 162 removed outlier: 4.091A pdb=" N GLYBJ 34 " --> pdb=" O ASNBJ 159 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ILEBJ 161 " --> pdb=" O ALABJ 32 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N ALABJ 32 " --> pdb=" O ILEBJ 161 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N THRBJ 31 " --> pdb=" O GLUBJ 46 " (cutoff:3.500A) removed outlier: 4.120A pdb=" N ALABJ 209 " --> pdb=" O LEUBJ 43 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'AK' and resid 74 through 79 removed outlier: 4.100A pdb=" N ALAAK 140 " --> pdb=" O SERAK 79 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N LEUAK 141 " --> pdb=" O METAK 156 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N LEUAK 153 " --> pdb=" O CYSAK 165 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'AK' and resid 167 through 171 removed outlier: 3.535A pdb=" N ALAAK 37 " --> pdb=" O ILEAK 170 " (cutoff:3.500A) removed outlier: 4.774A pdb=" N THRAK 36 " --> pdb=" O GLUAK 51 " (cutoff:3.500A) removed outlier: 8.232A pdb=" N ASNAK 214 " --> pdb=" O LYSAK 52 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'BK' and resid 74 through 79 removed outlier: 4.101A pdb=" N ALABK 140 " --> pdb=" O SERBK 79 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N LEUBK 141 " --> pdb=" O METBK 156 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N LEUBK 153 " --> pdb=" O CYSBK 165 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'BK' and resid 167 through 171 removed outlier: 3.534A pdb=" N ALABK 37 " --> pdb=" O ILEBK 170 " (cutoff:3.500A) removed outlier: 4.774A pdb=" N THRBK 36 " --> pdb=" O GLUBK 51 " (cutoff:3.500A) removed outlier: 8.232A pdb=" N ASNBK 214 " --> pdb=" O LYSBK 52 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'AL' and resid 69 through 76 removed outlier: 6.573A pdb=" N HISAL 69 " --> pdb=" O TYRAL 137 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N TYRAL 137 " --> pdb=" O HISAL 69 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N LEUAL 133 " --> pdb=" O SERAL 73 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N ALAAL 75 " --> pdb=" O GLYAL 131 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ILEAL 144 " --> pdb=" O CYSAL 156 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'AL' and resid 158 through 162 removed outlier: 5.101A pdb=" N ALAAL 34 " --> pdb=" O LEUAL 49 " (cutoff:3.500A) removed outlier: 6.235A pdb=" N ASNAL 209 " --> pdb=" O LYSAL 50 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'BL' and resid 69 through 76 removed outlier: 6.573A pdb=" N HISBL 69 " --> pdb=" O TYRBL 137 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N TYRBL 137 " --> pdb=" O HISBL 69 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LEUBL 133 " --> pdb=" O SERBL 73 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N ALABL 75 " --> pdb=" O GLYBL 131 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ILEBL 144 " --> pdb=" O CYSBL 156 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'BL' and resid 158 through 162 removed outlier: 5.100A pdb=" N ALABL 34 " --> pdb=" O LEUBL 49 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N ASNBL 209 " --> pdb=" O LYSBL 50 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'AM' and resid 65 through 69 removed outlier: 5.780A pdb=" N ARGAM 65 " --> pdb=" O VALAM 77 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N VALAM 73 " --> pdb=" O VALAM 69 " (cutoff:3.500A) removed outlier: 4.165A pdb=" N GLYAM 74 " --> pdb=" O GLYAM 138 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N GLYAM 138 " --> pdb=" O GLYAM 74 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N PHEAM 135 " --> pdb=" O ILEAM 151 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N TYRAM 158 " --> pdb=" O METAM 150 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ASPAM 152 " --> pdb=" O VALAM 156 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N VALAM 156 " --> pdb=" O ASPAM 152 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'AM' and resid 161 through 166 removed outlier: 6.217A pdb=" N TRPAM 161 " --> pdb=" O ARGAM 40 " (cutoff:3.500A) removed outlier: 4.850A pdb=" N THRAM 35 " --> pdb=" O GLUAM 50 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALAAM 208 " --> pdb=" O VALAM 53 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'BM' and resid 65 through 69 removed outlier: 5.779A pdb=" N ARGBM 65 " --> pdb=" O VALBM 77 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N VALBM 73 " --> pdb=" O VALBM 69 " (cutoff:3.500A) removed outlier: 4.165A pdb=" N GLYBM 74 " --> pdb=" O GLYBM 138 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N GLYBM 138 " --> pdb=" O GLYBM 74 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N PHEBM 135 " --> pdb=" O ILEBM 151 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N TYRBM 158 " --> pdb=" O METBM 150 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N ASPBM 152 " --> pdb=" O VALBM 156 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N VALBM 156 " --> pdb=" O ASPBM 152 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'BM' and resid 161 through 166 removed outlier: 6.216A pdb=" N TRPBM 161 " --> pdb=" O ARGBM 40 " (cutoff:3.500A) removed outlier: 4.849A pdb=" N THRBM 35 " --> pdb=" O GLUBM 50 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALABM 208 " --> pdb=" O VALBM 53 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'AN' and resid 40 through 46 removed outlier: 5.416A pdb=" N ARGAN 40 " --> pdb=" O TRPAN 103 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'AN' and resid 125 through 129 removed outlier: 6.488A pdb=" N THRAN 2 " --> pdb=" O ASPAN 17 " (cutoff:3.500A) removed outlier: 6.438A pdb=" N VALAN 173 " --> pdb=" O SERAN 18 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ILEAN 174 " --> pdb=" O LEUAN 189 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ALAAN 180 " --> pdb=" O GLYAN 183 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'BN' and resid 40 through 46 removed outlier: 5.416A pdb=" N ARGBN 40 " --> pdb=" O TRPBN 103 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'BN' and resid 125 through 129 removed outlier: 6.489A pdb=" N THRBN 2 " --> pdb=" O ASPBN 17 " (cutoff:3.500A) removed outlier: 6.438A pdb=" N VALBN 173 " --> pdb=" O SERBN 18 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ILEBN 174 " --> pdb=" O LEUBN 189 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ALABN 180 " --> pdb=" O GLYBN 183 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'AO' and resid 34 through 37 removed outlier: 6.657A pdb=" N ILEAO 41 " --> pdb=" O ILEAO 37 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'AO' and resid 98 through 103 removed outlier: 3.560A pdb=" N LEUAO 98 " --> pdb=" O ILEAO 113 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'AO' and resid 124 through 128 removed outlier: 5.686A pdb=" N THRAO 2 " --> pdb=" O ASPAO 17 " (cutoff:3.500A) removed outlier: 6.008A pdb=" N ASNAO 172 " --> pdb=" O THRAO 18 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N LYSAO 182 " --> pdb=" O SERAO 179 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'BO' and resid 34 through 37 removed outlier: 6.656A pdb=" N ILEBO 41 " --> pdb=" O ILEBO 37 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'BO' and resid 98 through 103 removed outlier: 3.561A pdb=" N LEUBO 98 " --> pdb=" O ILEBO 113 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'BO' and resid 124 through 128 removed outlier: 5.687A pdb=" N THRBO 2 " --> pdb=" O ASPBO 17 " (cutoff:3.500A) removed outlier: 6.008A pdb=" N ASNBO 172 " --> pdb=" O THRBO 18 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N LYSBO 182 " --> pdb=" O SERBO 179 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'AP' and resid 42 through 45 removed outlier: 4.275A pdb=" N LEUAP 49 " --> pdb=" O METAP 45 " (cutoff:3.500A) removed outlier: 6.770A pdb=" N ARGAP 48 " --> pdb=" O LEUAP 112 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N ALAAP 54 " --> pdb=" O GLUAP 106 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'AP' and resid 136 through 140 removed outlier: 6.163A pdb=" N ALAAP 10 " --> pdb=" O ASPAP 25 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ASPAP 25 " --> pdb=" O ALAAP 10 " (cutoff:3.500A) removed outlier: 6.522A pdb=" N GLYAP 184 " --> pdb=" O ARGAP 26 " (cutoff:3.500A) removed outlier: 4.220A pdb=" N VALAP 185 " --> pdb=" O LEUAP 200 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'BP' and resid 42 through 45 removed outlier: 4.275A pdb=" N LEUBP 49 " --> pdb=" O METBP 45 " (cutoff:3.500A) removed outlier: 6.770A pdb=" N ARGBP 48 " --> pdb=" O LEUBP 112 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N ALABP 54 " --> pdb=" O GLUBP 106 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'BP' and resid 136 through 140 removed outlier: 6.163A pdb=" N ALABP 10 " --> pdb=" O ASPBP 25 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ASPBP 25 " --> pdb=" O ALABP 10 " (cutoff:3.500A) removed outlier: 6.522A pdb=" N GLYBP 184 " --> pdb=" O ARGBP 26 " (cutoff:3.500A) removed outlier: 4.220A pdb=" N VALBP 185 " --> pdb=" O LEUBP 200 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'AQ' and resid 4 through 8 removed outlier: 3.620A pdb=" N VALAQ 15 " --> pdb=" O ARGAQ 181 " (cutoff:3.500A) removed outlier: 7.495A pdb=" N THRAQ 177 " --> pdb=" O ARGAQ 19 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'AQ' and resid 35 through 38 removed outlier: 3.559A pdb=" N METAQ 38 " --> pdb=" O ILEAQ 42 " (cutoff:3.500A) removed outlier: 6.873A pdb=" N ILEAQ 42 " --> pdb=" O METAQ 38 " (cutoff:3.500A) removed outlier: 5.265A pdb=" N LYSAQ 41 " --> pdb=" O TYRAQ 107 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N ALAAQ 105 " --> pdb=" O LEUAQ 43 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEUAQ 103 " --> pdb=" O LEUAQ 45 " (cutoff:3.500A) removed outlier: 6.055A pdb=" N VALAQ 47 " --> pdb=" O ASNAQ 101 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain 'BQ' and resid 4 through 8 removed outlier: 3.621A pdb=" N VALBQ 15 " --> pdb=" O ARGBQ 181 " (cutoff:3.500A) removed outlier: 7.496A pdb=" N THRBQ 177 " --> pdb=" O ARGBQ 19 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'BQ' and resid 35 through 38 removed outlier: 3.559A pdb=" N METBQ 38 " --> pdb=" O ILEBQ 42 " (cutoff:3.500A) removed outlier: 6.873A pdb=" N ILEBQ 42 " --> pdb=" O METBQ 38 " (cutoff:3.500A) removed outlier: 5.265A pdb=" N LYSBQ 41 " --> pdb=" O TYRBQ 107 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N ALABQ 105 " --> pdb=" O LEUBQ 43 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEUBQ 103 " --> pdb=" O LEUBQ 45 " (cutoff:3.500A) removed outlier: 6.056A pdb=" N VALBQ 47 " --> pdb=" O ASNBQ 101 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'AR' and resid 34 through 37 removed outlier: 3.589A pdb=" N ILEAR 37 " --> pdb=" O LEUAR 41 " (cutoff:3.500A) removed outlier: 6.390A pdb=" N LEUAR 41 " --> pdb=" O ILEAR 37 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N LEUAR 42 " --> pdb=" O CYSAR 102 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N CYSAR 102 " --> pdb=" O LEUAR 42 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N THRAR 44 " --> pdb=" O METAR 100 " (cutoff:3.500A) removed outlier: 5.349A pdb=" N METAR 100 " --> pdb=" O THRAR 44 " (cutoff:3.500A) removed outlier: 5.008A pdb=" N ALAAR 46 " --> pdb=" O GLYAR 98 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N THRAR 99 " --> pdb=" O VALAR 114 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N VALAR 114 " --> pdb=" O THRAR 99 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLYAR 103 " --> pdb=" O GLYAR 110 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N ASNAR 119 " --> pdb=" O ASPAR 115 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'AR' and resid 125 through 129 removed outlier: 5.752A pdb=" N THRAR 2 " --> pdb=" O ASPAR 17 " (cutoff:3.500A) removed outlier: 5.553A pdb=" N ALAAR 173 " --> pdb=" O SERAR 18 " (cutoff:3.500A) removed outlier: 5.811A pdb=" N VALAR 174 " --> pdb=" O SERAR 189 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N SERAR 189 " --> pdb=" O VALAR 174 " (cutoff:3.500A) removed outlier: 6.937A pdb=" N LEUAR 176 " --> pdb=" O VALAR 187 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ARGAR 180 " --> pdb=" O GLYAR 183 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'BR' and resid 34 through 37 removed outlier: 3.590A pdb=" N ILEBR 37 " --> pdb=" O LEUBR 41 " (cutoff:3.500A) removed outlier: 6.390A pdb=" N LEUBR 41 " --> pdb=" O ILEBR 37 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N LEUBR 42 " --> pdb=" O CYSBR 102 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N CYSBR 102 " --> pdb=" O LEUBR 42 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N THRBR 44 " --> pdb=" O METBR 100 " (cutoff:3.500A) removed outlier: 5.349A pdb=" N METBR 100 " --> pdb=" O THRBR 44 " (cutoff:3.500A) removed outlier: 5.009A pdb=" N ALABR 46 " --> pdb=" O GLYBR 98 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N THRBR 99 " --> pdb=" O VALBR 114 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N VALBR 114 " --> pdb=" O THRBR 99 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLYBR 103 " --> pdb=" O GLYBR 110 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N ASNBR 119 " --> pdb=" O ASPBR 115 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'BR' and resid 125 through 129 removed outlier: 5.752A pdb=" N THRBR 2 " --> pdb=" O ASPBR 17 " (cutoff:3.500A) removed outlier: 5.553A pdb=" N ALABR 173 " --> pdb=" O SERBR 18 " (cutoff:3.500A) removed outlier: 5.811A pdb=" N VALBR 174 " --> pdb=" O SERBR 189 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N SERBR 189 " --> pdb=" O VALBR 174 " (cutoff:3.500A) removed outlier: 6.936A pdb=" N LEUBR 176 " --> pdb=" O VALBR 187 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ARGBR 180 " --> pdb=" O GLYBR 183 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'AS' and resid 43 through 46 removed outlier: 6.697A pdb=" N THRAS 50 " --> pdb=" O LEUAS 46 " (cutoff:3.500A) removed outlier: 6.690A pdb=" N LYSAS 49 " --> pdb=" O LEUAS 113 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'AS' and resid 135 through 139 removed outlier: 5.685A pdb=" N THRAS 11 " --> pdb=" O ASPAS 26 " (cutoff:3.500A) removed outlier: 5.953A pdb=" N ALAAS 192 " --> pdb=" O THRAS 27 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'BS' and resid 43 through 46 removed outlier: 6.697A pdb=" N THRBS 50 " --> pdb=" O LEUBS 46 " (cutoff:3.500A) removed outlier: 6.690A pdb=" N LYSBS 49 " --> pdb=" O LEUBS 113 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'BS' and resid 135 through 139 removed outlier: 5.685A pdb=" N THRBS 11 " --> pdb=" O ASPBS 26 " (cutoff:3.500A) removed outlier: 5.954A pdb=" N ALABS 192 " --> pdb=" O THRBS 27 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'AT' and resid 42 through 45 removed outlier: 4.966A pdb=" N SERAT 48 " --> pdb=" O TYRAT 115 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'AT' and resid 136 through 139 removed outlier: 4.384A pdb=" N VALAT 11 " --> pdb=" O THRAT 139 " (cutoff:3.500A) removed outlier: 4.689A pdb=" N ILEAT 189 " --> pdb=" O GLUAT 200 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain 'BT' and resid 42 through 45 removed outlier: 4.966A pdb=" N SERBT 48 " --> pdb=" O TYRBT 115 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain 'BT' and resid 136 through 139 removed outlier: 4.384A pdb=" N VALBT 11 " --> pdb=" O THRBT 139 " (cutoff:3.500A) removed outlier: 4.689A pdb=" N ILEBT 189 " --> pdb=" O GLUBT 200 " (cutoff:3.500A) 7465 hydrogen bonds defined for protein. 22299 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: 93.66 Time building geometry restraints manager: 53.15 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.34: 50452 1.34 - 1.46: 34030 1.46 - 1.59: 72182 1.59 - 1.71: 60 1.71 - 1.84: 1508 Bond restraints: 158232 Sorted by residual: bond pdb=" C LEUBa 145 " pdb=" N PROBa 146 " ideal model delta sigma weight residual 1.334 1.564 -0.230 2.34e-02 1.83e+03 9.65e+01 bond pdb=" C LEUAa 145 " pdb=" N PROAa 146 " ideal model delta sigma weight residual 1.334 1.564 -0.230 2.34e-02 1.83e+03 9.65e+01 bond pdb=" C4 ATPAE 401 " pdb=" C5 ATPAE 401 " ideal model delta sigma weight residual 1.388 1.472 -0.084 1.00e-02 1.00e+04 7.00e+01 bond pdb=" C4 ATPBE 401 " pdb=" C5 ATPBE 401 " ideal model delta sigma weight residual 1.388 1.472 -0.084 1.00e-02 1.00e+04 6.98e+01 bond pdb=" C4 ATPAF 501 " pdb=" C5 ATPAF 501 " ideal model delta sigma weight residual 1.388 1.470 -0.082 1.00e-02 1.00e+04 6.76e+01 ... (remaining 158227 not shown) Histogram of bond angle deviations from ideal: 98.25 - 106.44: 4042 106.44 - 114.64: 93934 114.64 - 122.83: 102665 122.83 - 131.02: 12719 131.02 - 139.22: 574 Bond angle restraints: 213934 Sorted by residual: angle pdb=" PB ATPBF 501 " pdb=" O3B ATPBF 501 " pdb=" PG ATPBF 501 " ideal model delta sigma weight residual 139.87 117.15 22.72 1.00e+00 1.00e+00 5.16e+02 angle pdb=" PB ATPAF 501 " pdb=" O3B ATPAF 501 " pdb=" PG ATPAF 501 " ideal model delta sigma weight residual 139.87 117.16 22.71 1.00e+00 1.00e+00 5.16e+02 angle pdb=" PB ATPAA 501 " pdb=" O3B ATPAA 501 " pdb=" PG ATPAA 501 " ideal model delta sigma weight residual 139.87 118.18 21.69 1.00e+00 1.00e+00 4.70e+02 angle pdb=" PB ATPBA 501 " pdb=" O3B ATPBA 501 " pdb=" PG ATPBA 501 " ideal model delta sigma weight residual 139.87 118.22 21.65 1.00e+00 1.00e+00 4.69e+02 angle pdb=" PA ATPBA 501 " pdb=" O3A ATPBA 501 " pdb=" PB ATPBA 501 " ideal model delta sigma weight residual 136.83 115.77 21.06 1.00e+00 1.00e+00 4.43e+02 ... (remaining 213929 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 33.34: 95127 33.34 - 66.68: 1275 66.68 - 100.02: 138 100.02 - 133.36: 0 133.36 - 166.70: 2 Dihedral angle restraints: 96542 sinusoidal: 38852 harmonic: 57690 Sorted by residual: dihedral pdb=" CA HISBC 171 " pdb=" C HISBC 171 " pdb=" N PROBC 172 " pdb=" CA PROBC 172 " ideal model delta harmonic sigma weight residual 180.00 -143.35 -36.65 0 5.00e+00 4.00e-02 5.37e+01 dihedral pdb=" CA HISAC 171 " pdb=" C HISAC 171 " pdb=" N PROAC 172 " pdb=" CA PROAC 172 " ideal model delta harmonic sigma weight residual 180.00 -143.37 -36.63 0 5.00e+00 4.00e-02 5.37e+01 dihedral pdb=" CA PROAE 175 " pdb=" C PROAE 175 " pdb=" N PROAE 176 " pdb=" CA PROAE 176 " ideal model delta harmonic sigma weight residual 180.00 143.49 36.51 0 5.00e+00 4.00e-02 5.33e+01 ... (remaining 96539 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.234: 24330 0.234 - 0.467: 18 0.467 - 0.701: 2 0.701 - 0.935: 0 0.935 - 1.168: 2 Chirality restraints: 24352 Sorted by residual: chirality pdb=" CG LEUBF 150 " pdb=" CB LEUBF 150 " pdb=" CD1 LEUBF 150 " pdb=" CD2 LEUBF 150 " both_signs ideal model delta sigma weight residual False -2.59 -1.42 -1.17 2.00e-01 2.50e+01 3.41e+01 chirality pdb=" CG LEUAF 150 " pdb=" CB LEUAF 150 " pdb=" CD1 LEUAF 150 " pdb=" CD2 LEUAF 150 " both_signs ideal model delta sigma weight residual False -2.59 -1.42 -1.17 2.00e-01 2.50e+01 3.40e+01 chirality pdb=" CB ILEBZ 222 " pdb=" CA ILEBZ 222 " pdb=" CG1 ILEBZ 222 " pdb=" CG2 ILEBZ 222 " both_signs ideal model delta sigma weight residual False 2.64 2.10 0.54 2.00e-01 2.50e+01 7.29e+00 ... (remaining 24349 not shown) Planarity restraints: 27604 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C LEUAF 164 " 0.064 5.00e-02 4.00e+02 9.76e-02 1.52e+01 pdb=" N PROAF 165 " -0.169 5.00e-02 4.00e+02 pdb=" CA PROAF 165 " 0.057 5.00e-02 4.00e+02 pdb=" CD PROAF 165 " 0.048 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C LEUBF 164 " -0.064 5.00e-02 4.00e+02 9.76e-02 1.52e+01 pdb=" N PROBF 165 " 0.169 5.00e-02 4.00e+02 pdb=" CA PROBF 165 " -0.057 5.00e-02 4.00e+02 pdb=" CD PROBF 165 " -0.048 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C LYSAB 217 " -0.052 5.00e-02 4.00e+02 7.89e-02 9.96e+00 pdb=" N PROAB 218 " 0.136 5.00e-02 4.00e+02 pdb=" CA PROAB 218 " -0.041 5.00e-02 4.00e+02 pdb=" CD PROAB 218 " -0.043 5.00e-02 4.00e+02 ... (remaining 27601 not shown) Histogram of nonbonded interaction distances: 0.35 - 1.26: 91 1.26 - 2.17: 561 2.17 - 3.08: 115419 3.08 - 3.99: 417912 3.99 - 4.90: 747819 Warning: very small nonbonded interaction distances. Nonbonded interactions: 1281802 Sorted by model distance: nonbonded pdb=" CZ ARGAR 158 " pdb=" CZ ARGBQ 145 " model vdw 0.352 3.500 nonbonded pdb=" CZ ARGAQ 145 " pdb=" CZ ARGBR 158 " model vdw 0.375 3.500 nonbonded pdb=" C METAP 34 " pdb=" CZ ARGBR 166 " model vdw 0.471 3.500 nonbonded pdb=" CZ ARGAR 166 " pdb=" C METBP 34 " model vdw 0.504 3.500 nonbonded pdb=" CB GLNAS 159 " pdb=" O THRBO 208 " model vdw 0.581 3.440 ... (remaining 1281797 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 'AA' selection = chain 'BA' } ncs_group { reference = chain 'AB' selection = chain 'BB' } ncs_group { reference = chain 'AC' selection = chain 'BC' } ncs_group { reference = chain 'AD' selection = chain 'BD' } ncs_group { reference = chain 'AE' selection = chain 'BE' } ncs_group { reference = chain 'AF' selection = chain 'BF' } ncs_group { reference = chain 'AG' selection = chain 'BG' } ncs_group { reference = chain 'AH' selection = chain 'BH' } ncs_group { reference = chain 'AI' selection = chain 'BI' } ncs_group { reference = chain 'AJ' selection = chain 'BJ' } ncs_group { reference = chain 'AK' selection = chain 'BK' } ncs_group { reference = chain 'AL' selection = chain 'BL' } ncs_group { reference = chain 'AM' selection = chain 'BM' } ncs_group { reference = chain 'AN' selection = chain 'BN' } ncs_group { reference = chain 'AO' selection = chain 'BO' } ncs_group { reference = chain 'AP' selection = chain 'BP' } ncs_group { reference = chain 'AQ' selection = chain 'BQ' } ncs_group { reference = chain 'AR' selection = chain 'BR' } ncs_group { reference = chain 'AS' selection = chain 'BS' } ncs_group { reference = chain 'AT' selection = chain 'BT' } ncs_group { reference = chain 'AU' selection = chain 'BU' } ncs_group { reference = chain 'AV' selection = chain 'BV' } ncs_group { reference = chain 'AW' selection = chain 'BW' } ncs_group { reference = chain 'AX' selection = chain 'BX' } ncs_group { reference = chain 'AY' selection = chain 'BY' } ncs_group { reference = chain 'AZ' selection = chain 'BZ' } ncs_group { reference = chain 'Aa' selection = chain 'Ba' } ncs_group { reference = chain 'Ab' selection = chain 'Bb' } ncs_group { reference = chain 'Ac' selection = chain 'Bc' } ncs_group { reference = chain 'Ad' selection = chain 'Bd' } ncs_group { reference = chain 'Ae' selection = chain 'Be' } ncs_group { reference = chain 'Af' selection = chain 'Bf' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Set scattering table Set to: electron Number of scattering types: 6 Type Number sf(0) Gaussians Zn 2 6.06 5 P 32 5.49 5 S 898 5.16 5 C 98272 2.51 5 N 26762 2.21 5 O 29608 1.98 5 sf(0) = scattering factor at diffraction angle 0. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=0.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 13.540 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 1.000 Construct map_model_manager: 0.120 Extract box with map and model: 53.200 Check model and map are aligned: 1.490 Convert atoms to be neutral: 0.890 Process input model: 367.270 Find NCS groups from input model: 10.840 Set up NCS constraints: 2.210 Set refine NCS operators: 0.000 Set scattering table: 0.080 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.030 Load rotamer database and sin/cos tables:2.220 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 452.890 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5870 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 : 0.005 0.230 158232 Z= 0.311 Angle : 0.937 22.720 213934 Z= 0.526 Chirality : 0.049 1.168 24352 Planarity : 0.005 0.098 27604 Dihedral : 11.938 166.698 59340 Min Nonbonded Distance : 0.352 Molprobity Statistics. All-atom Clashscore : 23.88 Ramachandran Plot: Outliers : 0.85 % Allowed : 7.96 % Favored : 91.18 % Rotamer Outliers : 0.16 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 6.55 % Cis-general : 2.02 % Twisted Proline : 0.57 % Twisted General : 0.02 % 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: -4.16 (0.05), residues: 19682 helix: -3.21 (0.04), residues: 9226 sheet: -1.80 (0.10), residues: 2160 loop : -2.26 (0.06), residues: 8296 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3125 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 26 poor density : 3099 time to evaluate : 12.396 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash 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: 26 outliers final: 6 residues processed: 3123 average time/residue: 1.2934 time to fit residues: 6913.9084 Evaluate side-chains 1238 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 1232 time to evaluate : 12.165 Switching outliers to nearest non-outliers outliers start: 6 outliers final: 0 residues processed: 6 average time/residue: 1.0114 time to fit residues: 28.1404 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1962 random chunks: chunk 1656 optimal weight: 9.9990 chunk 1487 optimal weight: 0.9990 chunk 825 optimal weight: 2.9990 chunk 507 optimal weight: 3.9990 chunk 1003 optimal weight: 9.9990 chunk 794 optimal weight: 3.9990 chunk 1537 optimal weight: 10.0000 chunk 595 optimal weight: 5.9990 chunk 935 optimal weight: 9.9990 chunk 1144 optimal weight: 5.9990 chunk 1781 optimal weight: 1.9990 overall best weight: 2.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AU 128 GLN AU 259 GLN ** AU 389 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AU 464 GLN AU 595 ASN ** AU 888 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 62 HIS AV 78 HIS AV 279 GLN ** AV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 473 GLN ** AW 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AW 288 HIS ** AW 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AY 280 GLN AY 306 GLN AZ 12 HIS ** AZ 102 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AZ 104 ASN AZ 109 ASN AZ 229 GLN AZ 256 GLN Aa 144 ASN ** Aa 264 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 332 HIS Aa 369 HIS Ab 29 GLN Ac 172 HIS ** Ac 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ac 283 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ad 149 ASN ** Ad 221 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 6 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Af 371 ASN ** Af 396 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Af 405 HIS Af 472 HIS ** Af 565 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Af 650 GLN ** Af 747 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 51 GLN ** AE 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 194 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AF 321 GLN AF 417 HIS AC 69 GLN AC 321 ASN ** AG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AH 166 ASN AH 214 ASN ** AI 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AK 98 ASN AN 187 GLN AO 66 HIS ** AP 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 157 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 159 GLN AT 69 GLN BU 128 GLN BU 259 GLN BU 464 GLN BU 595 ASN ** BU 888 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 62 HIS BV 78 HIS BV 279 GLN ** BV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 473 GLN ** BW 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 288 HIS ** BW 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 430 GLN BX 329 ASN BX 405 GLN BY 251 HIS BY 280 GLN BY 306 GLN BZ 12 HIS ** BZ 102 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BZ 109 ASN BZ 256 GLN Ba 144 ASN Ba 264 ASN Ba 369 HIS Bb 29 GLN Bc 172 HIS ** Bc 283 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Bd 149 ASN ** Bd 221 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Be 6 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Bf 371 ASN ** Bf 396 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Bf 472 HIS ** Bf 565 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Bf 650 GLN ** Bf 747 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BE 51 GLN ** BE 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BF 194 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BF 321 GLN BF 417 HIS BC 69 GLN BC 321 ASN ** BG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BH 166 ASN BH 214 ASN ** BI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BJ 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BK 98 ASN BN 187 GLN BO 66 HIS ** BP 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 157 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BS 159 GLN BT 69 GLN Total number of N/Q/H flips: 77 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5883 moved from start: 0.3028 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.126 158232 Z= 0.255 Angle : 0.923 24.144 213934 Z= 0.437 Chirality : 0.046 0.317 24352 Planarity : 0.006 0.114 27604 Dihedral : 6.270 178.593 21636 Min Nonbonded Distance : 2.041 Molprobity Statistics. All-atom Clashscore : 22.92 Ramachandran Plot: Outliers : 0.44 % Allowed : 5.86 % Favored : 93.70 % Rotamer Outliers : 3.75 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.55 % Cis-general : 2.02 % Twisted Proline : 0.57 % Twisted General : 0.03 % 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: -2.79 (0.05), residues: 19682 helix: -1.74 (0.05), residues: 9622 sheet: -1.36 (0.10), residues: 2174 loop : -1.94 (0.06), residues: 7886 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2034 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 628 poor density : 1406 time to evaluate : 12.316 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash 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: 628 outliers final: 193 residues processed: 1956 average time/residue: 1.1446 time to fit residues: 3978.5055 Evaluate side-chains 1265 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 193 poor density : 1072 time to evaluate : 12.163 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash outliers start: 193 outliers final: 2 residues processed: 193 average time/residue: 1.0048 time to fit residues: 377.4351 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1962 random chunks: chunk 990 optimal weight: 20.0000 chunk 552 optimal weight: 10.0000 chunk 1482 optimal weight: 9.9990 chunk 1213 optimal weight: 8.9990 chunk 491 optimal weight: 0.9990 chunk 1784 optimal weight: 0.9990 chunk 1928 optimal weight: 10.0000 chunk 1589 optimal weight: 20.0000 chunk 1770 optimal weight: 0.8980 chunk 608 optimal weight: 1.9990 chunk 1431 optimal weight: 7.9990 overall best weight: 2.5788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** AU 888 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 381 GLN ** AV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AY 251 HIS ** AZ 102 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 46 GLN ** Aa 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ac 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ac 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ad 149 ASN ** Ad 221 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 6 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 150 HIS ** AA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 390 ASN ** AE 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AF 194 GLN ** AG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 146 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 120 GLN ** AK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 166 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AP 173 ASN AQ 82 ASN AS 108 ASN ** BU 888 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 381 GLN ** BV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BW 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BY 251 HIS ** BZ 102 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ba 46 GLN ** Ba 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bc 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bc 131 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bc 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Bd 149 ASN ** Bd 221 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Be 6 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Bf 770 HIS BA 150 HIS ** BA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BD 390 ASN ** BE 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BF 194 GLN ** BG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BJ 120 GLN ** BL 166 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 170 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BP 173 ASN BQ 82 ASN BS 108 ASN Total number of N/Q/H flips: 23 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5894 moved from start: 0.3833 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.118 158232 Z= 0.216 Angle : 0.881 23.732 213934 Z= 0.409 Chirality : 0.044 0.286 24352 Planarity : 0.006 0.183 27604 Dihedral : 6.038 169.678 21636 Min Nonbonded Distance : 2.006 Molprobity Statistics. All-atom Clashscore : 21.31 Ramachandran Plot: Outliers : 0.40 % Allowed : 6.04 % Favored : 93.56 % Rotamer Outliers : 2.52 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.55 % Cis-general : 2.01 % Twisted Proline : 0.57 % Twisted General : 0.03 % 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: -2.05 (0.06), residues: 19682 helix: -0.99 (0.05), residues: 9690 sheet: -1.00 (0.10), residues: 2186 loop : -1.80 (0.07), residues: 7806 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1630 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 421 poor density : 1209 time to evaluate : 13.332 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 outliers start: 421 outliers final: 119 residues processed: 1588 average time/residue: 1.1996 time to fit residues: 3431.3120 Evaluate side-chains 1128 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 119 poor density : 1009 time to evaluate : 12.456 Switching outliers to nearest non-outliers outliers start: 119 outliers final: 0 residues processed: 119 average time/residue: 1.0641 time to fit residues: 255.5761 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1962 random chunks: chunk 1763 optimal weight: 6.9990 chunk 1341 optimal weight: 5.9990 chunk 926 optimal weight: 20.0000 chunk 197 optimal weight: 8.9990 chunk 851 optimal weight: 2.9990 chunk 1198 optimal weight: 3.9990 chunk 1791 optimal weight: 1.9990 chunk 1896 optimal weight: 0.9990 chunk 935 optimal weight: 0.5980 chunk 1697 optimal weight: 9.9990 chunk 511 optimal weight: 0.9980 overall best weight: 1.5186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AU 128 GLN AU 645 ASN ** AU 888 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 487 HIS AW 264 GLN ** AW 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AY 77 ASN AY 251 HIS ** AZ 102 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 267 GLN ** Ac 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ac 190 GLN ** Ad 221 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 6 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Af 770 HIS ** AA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 390 ASN AE 55 GLN AE 75 ASN ** AE 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 102 ASN ** AC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 123 GLN ** AG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AH 102 GLN ** AI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AL 166 GLN AM 170 GLN ** AR 162 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 128 GLN ** BU 645 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 888 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 487 HIS BW 264 GLN ** BW 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 454 ASN BY 77 ASN BY 251 HIS ** BZ 102 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bc 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Bc 190 GLN ** Bd 221 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Be 6 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BB 315 GLN ** BD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BD 390 ASN ** BE 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BE 75 ASN ** BE 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BG 92 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BG 123 GLN ** BG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 170 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BR 162 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 28 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5886 moved from start: 0.4248 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.153 158232 Z= 0.201 Angle : 0.860 24.001 213934 Z= 0.396 Chirality : 0.043 0.337 24352 Planarity : 0.005 0.164 27604 Dihedral : 5.840 158.809 21636 Min Nonbonded Distance : 2.011 Molprobity Statistics. All-atom Clashscore : 19.93 Ramachandran Plot: Outliers : 0.40 % Allowed : 5.74 % Favored : 93.86 % Rotamer Outliers : 1.97 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.55 % Cis-general : 2.01 % Twisted Proline : 0.57 % Twisted General : 0.03 % 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: -1.63 (0.06), residues: 19682 helix: -0.57 (0.05), residues: 9710 sheet: -0.78 (0.11), residues: 2180 loop : -1.69 (0.07), residues: 7792 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1486 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 329 poor density : 1157 time to evaluate : 15.704 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 outliers start: 329 outliers final: 88 residues processed: 1427 average time/residue: 1.1908 time to fit residues: 3056.1021 Evaluate side-chains 1067 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 88 poor density : 979 time to evaluate : 12.355 Switching outliers to nearest non-outliers outliers start: 88 outliers final: 0 residues processed: 88 average time/residue: 0.9910 time to fit residues: 182.6574 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1962 random chunks: chunk 1579 optimal weight: 30.0000 chunk 1076 optimal weight: 0.0770 chunk 27 optimal weight: 8.9990 chunk 1412 optimal weight: 0.9990 chunk 782 optimal weight: 9.9990 chunk 1618 optimal weight: 50.0000 chunk 1310 optimal weight: 10.0000 chunk 2 optimal weight: 20.0000 chunk 968 optimal weight: 7.9990 chunk 1702 optimal weight: 5.9990 chunk 478 optimal weight: 3.9990 overall best weight: 3.8146 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AU 604 HIS ** AU 888 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 177 ASN AV 260 HIS ** AV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 487 HIS AW 454 ASN AX 334 ASN ** AZ 102 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 144 ASN ** Aa 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ac 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ac 44 HIS Ac 278 GLN ** Ad 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 6 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 238 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 241 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 242 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 416 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 390 ASN ** AE 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 129 ASN AE 262 ASN ** AE 323 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 184 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 40 GLN ** AC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 270 GLN ** AG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 95 GLN ** AI 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 146 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AP 72 ASN ** AR 162 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 604 HIS BU 645 ASN ** BU 888 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 487 HIS BX 334 ASN ** BZ 102 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BZ 229 GLN ** Ba 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bc 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Bc 44 HIS Bd 149 ASN ** Be 6 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Bf 238 ASN ** Bf 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Bf 724 ASN ** Bf 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 241 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 242 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BB 314 ASN ** BB 416 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BE 55 GLN BE 129 ASN BE 262 ASN ** BE 323 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BF 184 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BC 40 GLN ** BC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BC 270 GLN ** BG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 146 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BL 166 GLN ** BM 170 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BN 123 GLN ** BP 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BR 162 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 33 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5933 moved from start: 0.4799 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.238 158232 Z= 0.242 Angle : 0.874 24.562 213934 Z= 0.405 Chirality : 0.044 0.239 24352 Planarity : 0.006 0.132 27604 Dihedral : 5.815 150.855 21636 Min Nonbonded Distance : 2.023 Molprobity Statistics. All-atom Clashscore : 21.50 Ramachandran Plot: Outliers : 0.40 % Allowed : 6.14 % Favored : 93.46 % Rotamer Outliers : 2.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 6.55 % Cis-general : 2.02 % Twisted Proline : 0.28 % Twisted General : 0.03 % 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: -1.41 (0.06), residues: 19682 helix: -0.33 (0.05), residues: 9766 sheet: -0.72 (0.11), residues: 2158 loop : -1.67 (0.07), residues: 7758 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1416 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 335 poor density : 1081 time to evaluate : 12.328 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 outliers start: 335 outliers final: 126 residues processed: 1370 average time/residue: 1.1615 time to fit residues: 2857.4567 Evaluate side-chains 1069 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 126 poor density : 943 time to evaluate : 12.341 Switching outliers to nearest non-outliers outliers start: 126 outliers final: 0 residues processed: 126 average time/residue: 1.0125 time to fit residues: 255.9604 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1962 random chunks: chunk 638 optimal weight: 20.0000 chunk 1707 optimal weight: 8.9990 chunk 374 optimal weight: 4.9990 chunk 1113 optimal weight: 5.9990 chunk 468 optimal weight: 20.0000 chunk 1898 optimal weight: 5.9990 chunk 1575 optimal weight: 20.0000 chunk 878 optimal weight: 10.0000 chunk 157 optimal weight: 9.9990 chunk 627 optimal weight: 0.9990 chunk 996 optimal weight: 9.9990 overall best weight: 5.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** AU 128 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 487 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AY 184 GLN ** Aa 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ac 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ac 237 HIS Ad 149 ASN ** Ae 6 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 238 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 416 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 323 HIS ** AF 184 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 146 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AN 158 ASN AP 33 GLN ** AP 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 162 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 128 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 801 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 487 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BW 395 ASN BX 296 ASN BX 349 HIS BY 184 GLN ** BZ 102 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BZ 273 HIS ** Ba 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bc 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Bc 237 HIS ** Be 6 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 242 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 416 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BD 390 ASN BE 323 HIS ** BF 184 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 146 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 170 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BN 158 ASN BP 33 GLN ** BP 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BR 162 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 16 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5947 moved from start: 0.4967 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 1.011 158232 Z= 0.364 Angle : 0.935 106.085 213934 Z= 0.430 Chirality : 0.044 0.452 24352 Planarity : 0.006 0.186 27604 Dihedral : 5.833 150.629 21636 Min Nonbonded Distance : 2.014 Molprobity Statistics. All-atom Clashscore : 22.29 Ramachandran Plot: Outliers : 0.42 % Allowed : 6.23 % Favored : 93.35 % Rotamer Outliers : 1.31 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 6.55 % Cis-general : 2.03 % Twisted Proline : 0.28 % Twisted General : 0.03 % 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: -1.38 (0.06), residues: 19682 helix: -0.27 (0.05), residues: 9730 sheet: -0.73 (0.11), residues: 2146 loop : -1.71 (0.07), residues: 7806 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1199 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 220 poor density : 979 time to evaluate : 13.812 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 220 outliers final: 89 residues processed: 1164 average time/residue: 1.1791 time to fit residues: 2463.6398 Evaluate side-chains 1020 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 89 poor density : 931 time to evaluate : 12.186 Switching outliers to nearest non-outliers outliers start: 89 outliers final: 0 residues processed: 89 average time/residue: 1.1314 time to fit residues: 204.3127 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1962 random chunks: chunk 1830 optimal weight: 2.9990 chunk 213 optimal weight: 30.0000 chunk 1081 optimal weight: 6.9990 chunk 1386 optimal weight: 5.9990 chunk 1074 optimal weight: 7.9990 chunk 1597 optimal weight: 20.0000 chunk 1060 optimal weight: 8.9990 chunk 1891 optimal weight: 8.9990 chunk 1183 optimal weight: 8.9990 chunk 1152 optimal weight: 7.9990 chunk 873 optimal weight: 4.9990 overall best weight: 5.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AU 128 GLN ** AU 384 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 398 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 647 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AU 749 GLN ** AU 801 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 888 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 487 HIS AW 395 ASN ** AW 430 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AY 251 HIS Aa 23 HIS ** Aa 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ab 34 ASN Ac 30 GLN Ac 199 HIS Ad 77 GLN ** Ae 6 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 238 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AB 314 ASN ** AB 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 416 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AN 123 GLN AO 172 ASN ** AQ 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 162 GLN ** AS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 128 GLN BU 149 GLN ** BU 398 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 647 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BU 749 GLN ** BU 801 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 109 ASN ** BV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 487 HIS BY 49 ASN BZ 223 ASN Ba 23 HIS ** Ba 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ba 345 GLN Bb 34 ASN ** Bc 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Bc 199 HIS Bd 149 ASN Be 6 GLN ** Bf 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BB 314 ASN ** BD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BI 102 GLN ** BI 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 170 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BN 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BO 172 ASN ** BP 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BR 162 GLN ** BS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 31 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5977 moved from start: 0.5514 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.418 158232 Z= 0.313 Angle : 0.919 28.177 213934 Z= 0.434 Chirality : 0.045 0.277 24352 Planarity : 0.006 0.134 27604 Dihedral : 5.985 150.421 21636 Min Nonbonded Distance : 1.951 Molprobity Statistics. All-atom Clashscore : 23.32 Ramachandran Plot: Outliers : 0.43 % Allowed : 6.73 % Favored : 92.85 % Rotamer Outliers : 1.42 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 6.55 % Cis-general : 2.03 % Twisted Proline : 0.28 % Twisted General : 0.02 % 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: -1.46 (0.06), residues: 19682 helix: -0.31 (0.05), residues: 9772 sheet: -0.75 (0.11), residues: 2164 loop : -1.79 (0.07), residues: 7746 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1262 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 238 poor density : 1024 time to evaluate : 13.891 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 outliers start: 238 outliers final: 113 residues processed: 1204 average time/residue: 1.1819 time to fit residues: 2551.9299 Evaluate side-chains 1015 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 113 poor density : 902 time to evaluate : 12.355 Switching outliers to nearest non-outliers outliers start: 113 outliers final: 0 residues processed: 113 average time/residue: 1.0371 time to fit residues: 237.0605 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1962 random chunks: chunk 1169 optimal weight: 0.5980 chunk 755 optimal weight: 8.9990 chunk 1129 optimal weight: 8.9990 chunk 569 optimal weight: 5.9990 chunk 371 optimal weight: 8.9990 chunk 366 optimal weight: 20.0000 chunk 1202 optimal weight: 10.0000 chunk 1288 optimal weight: 1.9990 chunk 934 optimal weight: 10.0000 chunk 176 optimal weight: 6.9990 chunk 1486 optimal weight: 8.9990 overall best weight: 4.9188 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** AU 384 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 398 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 647 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 801 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 888 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 487 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AW 236 HIS ** AW 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 430 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AZ 273 HIS ** Aa 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 144 ASN ** Aa 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ad 77 GLN Ad 149 ASN ** Af 238 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AB 157 HIS AB 242 GLN ** AB 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 416 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 66 HIS ** AO 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 398 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 647 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 801 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 487 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BW 236 HIS ** BW 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bc 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Bd 149 ASN ** Bf 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BB 157 HIS BB 242 GLN ** BB 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 170 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BN 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BO 66 HIS ** BO 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 108 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5971 moved from start: 0.5587 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.880 158232 Z= 0.437 Angle : 0.983 73.885 213934 Z= 0.460 Chirality : 0.045 0.422 24352 Planarity : 0.006 0.218 27604 Dihedral : 5.979 149.897 21636 Min Nonbonded Distance : 1.875 Molprobity Statistics. All-atom Clashscore : 25.23 Ramachandran Plot: Outliers : 0.43 % Allowed : 6.70 % Favored : 92.87 % Rotamer Outliers : 0.77 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 6.55 % Cis-general : 2.03 % Twisted Proline : 0.28 % Twisted General : 0.03 % 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: -1.46 (0.06), residues: 19682 helix: -0.31 (0.05), residues: 9764 sheet: -0.76 (0.11), residues: 2162 loop : -1.80 (0.07), residues: 7756 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1045 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 129 poor density : 916 time to evaluate : 12.365 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 outliers start: 129 outliers final: 63 residues processed: 1006 average time/residue: 1.1749 time to fit residues: 2121.2531 Evaluate side-chains 956 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 63 poor density : 893 time to evaluate : 12.326 Switching outliers to nearest non-outliers outliers start: 63 outliers final: 0 residues processed: 63 average time/residue: 1.0327 time to fit residues: 139.1997 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1962 random chunks: chunk 1720 optimal weight: 0.9990 chunk 1811 optimal weight: 7.9990 chunk 1652 optimal weight: 10.0000 chunk 1762 optimal weight: 10.0000 chunk 1060 optimal weight: 3.9990 chunk 767 optimal weight: 20.0000 chunk 1383 optimal weight: 20.0000 chunk 540 optimal weight: 0.6980 chunk 1592 optimal weight: 6.9990 chunk 1666 optimal weight: 6.9990 chunk 1756 optimal weight: 30.0000 overall best weight: 3.9388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** AU 128 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AU 384 GLN ** AU 398 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 647 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 801 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 487 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AW 236 HIS ** AW 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AW 423 ASN ** AW 430 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 144 ASN ** Aa 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ad 77 GLN Ad 149 ASN ** Af 238 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 808 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 416 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 146 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 108 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 128 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 398 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 647 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 801 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 487 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BW 236 HIS ** BW 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ba 267 GLN ** Bc 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Bd 149 ASN ** Bf 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BF 154 ASN ** BC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 170 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BN 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BO 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 108 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5967 moved from start: 0.5605 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.947 158232 Z= 0.465 Angle : 1.011 89.333 213934 Z= 0.479 Chirality : 0.045 0.489 24352 Planarity : 0.006 0.165 27604 Dihedral : 5.974 149.870 21636 Min Nonbonded Distance : 1.861 Molprobity Statistics. All-atom Clashscore : 25.20 Ramachandran Plot: Outliers : 0.43 % Allowed : 6.78 % Favored : 92.79 % Rotamer Outliers : 0.44 % Cbeta Deviations : 0.03 % Peptide Plane: Cis-proline : 6.55 % Cis-general : 2.03 % Twisted Proline : 0.28 % Twisted General : 0.03 % 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: -1.45 (0.06), residues: 19682 helix: -0.31 (0.05), residues: 9772 sheet: -0.76 (0.11), residues: 2168 loop : -1.79 (0.07), residues: 7742 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 979 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 73 poor density : 906 time to evaluate : 14.113 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 73 outliers final: 30 residues processed: 953 average time/residue: 1.3353 time to fit residues: 2290.8895 Evaluate side-chains 921 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 30 poor density : 891 time to evaluate : 12.227 Switching outliers to nearest non-outliers outliers start: 30 outliers final: 0 residues processed: 30 average time/residue: 1.0375 time to fit residues: 75.2056 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1962 random chunks: chunk 1157 optimal weight: 30.0000 chunk 1863 optimal weight: 9.9990 chunk 1137 optimal weight: 5.9990 chunk 884 optimal weight: 0.8980 chunk 1295 optimal weight: 20.0000 chunk 1954 optimal weight: 0.6980 chunk 1799 optimal weight: 8.9990 chunk 1556 optimal weight: 0.5980 chunk 161 optimal weight: 10.0000 chunk 1202 optimal weight: 7.9990 chunk 954 optimal weight: 7.9990 overall best weight: 3.2384 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** AU 128 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 377 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 398 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 647 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 801 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 487 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AW 236 HIS ** AW 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 430 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 144 ASN ** Aa 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ad 77 GLN Ad 149 ASN ** Af 238 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 808 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AB 257 GLN ** AB 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 416 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 146 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 172 ASN ** AQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 128 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 398 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 596 ASN ** BU 647 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 801 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 177 ASN ** BV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 487 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BW 236 HIS ** BW 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bc 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bd 15 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Bd 149 ASN ** Bf 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 170 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BN 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BO 172 ASN ** BP 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5963 moved from start: 0.5623 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.973 158232 Z= 0.513 Angle : 1.027 99.451 213934 Z= 0.477 Chirality : 0.045 0.563 24352 Planarity : 0.006 0.146 27604 Dihedral : 5.968 149.847 21636 Min Nonbonded Distance : 1.875 Molprobity Statistics. All-atom Clashscore : 24.78 Ramachandran Plot: Outliers : 0.42 % Allowed : 6.74 % Favored : 92.84 % Rotamer Outliers : 0.35 % Cbeta Deviations : 0.03 % Peptide Plane: Cis-proline : 6.55 % Cis-general : 2.03 % Twisted Proline : 0.28 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.44 (0.06), residues: 19682 helix: -0.30 (0.05), residues: 9778 sheet: -0.76 (0.11), residues: 2174 loop : -1.78 (0.07), residues: 7730 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39364 Ramachandran restraints generated. 19682 Oldfield, 0 Emsley, 19682 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 959 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 58 poor density : 901 time to evaluate : 12.464 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 outliers start: 58 outliers final: 27 residues processed: 933 average time/residue: 1.2386 time to fit residues: 2087.1569 Evaluate side-chains 916 residues out of total 17028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 27 poor density : 889 time to evaluate : 12.486 Switching outliers to nearest non-outliers outliers start: 27 outliers final: 0 residues processed: 27 average time/residue: 1.0588 time to fit residues: 70.5226 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1962 random chunks: chunk 1236 optimal weight: 5.9990 chunk 1658 optimal weight: 5.9990 chunk 476 optimal weight: 0.7980 chunk 1435 optimal weight: 5.9990 chunk 229 optimal weight: 0.0040 chunk 432 optimal weight: 10.0000 chunk 1558 optimal weight: 5.9990 chunk 652 optimal weight: 0.4980 chunk 1600 optimal weight: 10.0000 chunk 197 optimal weight: 0.4980 chunk 287 optimal weight: 9.9990 overall best weight: 1.5594 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** AU 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 128 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 398 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AU 596 ASN ** AU 647 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 801 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 487 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AW 236 HIS ** AW 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 430 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 144 ASN ** Aa 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 227 ASN Aa 345 GLN Ad 77 GLN Ad 149 ASN ** Af 238 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 416 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AF 154 ASN ** AC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 146 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 128 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 398 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 647 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 801 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 401 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 487 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BW 236 HIS ** BW 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ba 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bc 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Bc 278 GLN ** Bd 15 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Bd 149 ASN ** Bf 452 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 493 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bf 737 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BB 257 GLN ** BD 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 286 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BC 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BG 150 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BI 146 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 170 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BN 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 65 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 12 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4421 r_free = 0.4421 target = 0.092976 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 52)----------------| | r_work = 0.4017 r_free = 0.4017 target = 0.076398 restraints weight = 1503421.510| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 31)----------------| | r_work = 0.4046 r_free = 0.4046 target = 0.077408 restraints weight = 675537.213| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 40)----------------| | r_work = 0.4063 r_free = 0.4063 target = 0.078033 restraints weight = 379429.498| |-----------------------------------------------------------------------------| r_work (final): 0.3911 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.4421 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.4421 r_free = 0.4421 target_work(ls_wunit_k1) = 0.093 | | occupancies: max = 1.00 min = 0.00 number of occupancies < 0.1: 8 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.4421 r_free = 0.4421 target_work(ls_wunit_k1) = 0.093 | | occupancies: max = 1.00 min = 0.00 number of occupancies < 0.1: 16 | |-----------------------------------------------------------------------------| r_final: 0.4421 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6782 moved from start: 0.5631 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 1.053 158232 Z= 0.502 Angle : 1.024 106.071 213934 Z= 0.480 Chirality : 0.045 0.554 24352 Planarity : 0.006 0.198 27604 Dihedral : 5.959 149.736 21636 Min Nonbonded Distance : 1.879 Molprobity Statistics. All-atom Clashscore : 24.45 Ramachandran Plot: Outliers : 0.43 % Allowed : 6.72 % Favored : 92.86 % Rotamer Outliers : 0.25 % Cbeta Deviations : 0.03 % Peptide Plane: Cis-proline : 6.55 % Cis-general : 2.03 % Twisted Proline : 0.28 % Twisted General : 0.02 % 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: -1.42 (0.06), residues: 19682 helix: -0.28 (0.05), residues: 9770 sheet: -0.72 (0.11), residues: 2188 loop : -1.78 (0.07), residues: 7724 =============================================================================== Job complete usr+sys time: 47551.64 seconds wall clock time: 825 minutes 27.35 seconds (49527.35 seconds total)