Starting phenix.real_space_refine on Fri Dec 8 07:17:08 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6jhn_9826/12_2023/6jhn_9826_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6jhn_9826/12_2023/6jhn_9826.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.5 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6jhn_9826/12_2023/6jhn_9826.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6jhn_9826/12_2023/6jhn_9826.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6jhn_9826/12_2023/6jhn_9826_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6jhn_9826/12_2023/6jhn_9826_updated.pdb" } resolution = 4.5 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.001 sd= 0.004 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 6 Type Number sf(0) Gaussians Ca 4 9.91 5 Zn 4 6.06 5 S 644 5.16 5 C 69680 2.51 5 N 18744 2.21 5 O 20412 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A PHE 48": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 129": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 152": "OD1" <-> "OD2" Residue "A ARG 190": "NH1" <-> "NH2" Residue "A ARG 257": "NH1" <-> "NH2" Residue "A TYR 305": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 362": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 374": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 463": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 674": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 788": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 802": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 840": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 862": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 1088": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 1180": "OE1" <-> "OE2" Residue "A PHE 1195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 1201": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 1217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 1427": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 1648": "OE1" <-> "OE2" Residue "A PHE 1763": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 1837": "OE1" <-> "OE2" Residue "A ASP 1916": "OD1" <-> "OD2" Residue "A TYR 2039": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 2107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 2149": "OD1" <-> "OD2" Residue "A GLU 2260": "OE1" <-> "OE2" Residue "A ARG 2323": "NH1" <-> "NH2" Residue "A ASP 2474": "OD1" <-> "OD2" Residue "A TYR 2477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 2519": "NH1" <-> "NH2" Residue "A TYR 2520": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 2716": "OE1" <-> "OE2" Residue "A GLU 2719": "OE1" <-> "OE2" Residue "A TYR 2725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 2731": "OD1" <-> "OD2" Residue "A GLU 2766": "OE1" <-> "OE2" Residue "A TYR 3610": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 3616": "NH1" <-> "NH2" Residue "A ASP 3644": "OD1" <-> "OD2" Residue "A ASP 3663": "OD1" <-> "OD2" Residue "A TYR 3692": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 3877": "OD1" <-> "OD2" Residue "A ASP 3900": "OD1" <-> "OD2" Residue "A TYR 4059": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 4108": "OE1" <-> "OE2" Residue "A ARG 4148": "NH1" <-> "NH2" Residue "A ARG 4158": "NH1" <-> "NH2" Residue "A PHE 4175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 4498": "NH1" <-> "NH2" Residue "A TYR 4501": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 4504": "NH1" <-> "NH2" Residue "A TYR 4568": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 4626": "OD1" <-> "OD2" Residue "A TYR 4722": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 4735": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 4746": "OD1" <-> "OD2" Residue "A PHE 4851": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 4853": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 4884": "OD1" <-> "OD2" Residue "A PHE 4952": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 13": "NH1" <-> "NH2" Residue "C PHE 48": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 129": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 152": "OD1" <-> "OD2" Residue "C ARG 190": "NH1" <-> "NH2" Residue "C ARG 257": "NH1" <-> "NH2" Residue "C TYR 305": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 362": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 374": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 463": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 674": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 788": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 802": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 840": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 862": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 1088": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 1180": "OE1" <-> "OE2" Residue "C PHE 1195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 1201": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 1217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 1427": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 1648": "OE1" <-> "OE2" Residue "C PHE 1763": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 1837": "OE1" <-> "OE2" Residue "C ASP 1916": "OD1" <-> "OD2" Residue "C TYR 2039": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 2107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 2149": "OD1" <-> "OD2" Residue "C GLU 2260": "OE1" <-> "OE2" Residue "C ARG 2323": "NH1" <-> "NH2" Residue "C ASP 2474": "OD1" <-> "OD2" Residue "C TYR 2477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 2519": "NH1" <-> "NH2" Residue "C TYR 2520": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 2716": "OE1" <-> "OE2" Residue "C GLU 2719": "OE1" <-> "OE2" Residue "C TYR 2725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 2731": "OD1" <-> "OD2" Residue "C GLU 2766": "OE1" <-> "OE2" Residue "C TYR 3610": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 3616": "NH1" <-> "NH2" Residue "C ASP 3644": "OD1" <-> "OD2" Residue "C ASP 3663": "OD1" <-> "OD2" Residue "C TYR 3692": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 3877": "OD1" <-> "OD2" Residue "C ASP 3900": "OD1" <-> "OD2" Residue "C TYR 4059": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 4108": "OE1" <-> "OE2" Residue "C ARG 4148": "NH1" <-> "NH2" Residue "C ARG 4158": "NH1" <-> "NH2" Residue "C PHE 4175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 4498": "NH1" <-> "NH2" Residue "C TYR 4501": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 4504": "NH1" <-> "NH2" Residue "C TYR 4568": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 4626": "OD1" <-> "OD2" Residue "C TYR 4722": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 4735": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 4746": "OD1" <-> "OD2" Residue "C PHE 4851": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 4853": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 4884": "OD1" <-> "OD2" Residue "C PHE 4952": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 13": "NH1" <-> "NH2" Residue "E PHE 48": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 129": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 152": "OD1" <-> "OD2" Residue "E ARG 190": "NH1" <-> "NH2" Residue "E ARG 257": "NH1" <-> "NH2" Residue "E TYR 305": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 362": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 374": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 463": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 674": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 788": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 802": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 840": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 862": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 1088": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 1180": "OE1" <-> "OE2" Residue "E PHE 1195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 1201": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 1217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 1427": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 1648": "OE1" <-> "OE2" Residue "E PHE 1763": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 1837": "OE1" <-> "OE2" Residue "E ASP 1916": "OD1" <-> "OD2" Residue "E TYR 2039": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 2107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 2149": "OD1" <-> "OD2" Residue "E GLU 2260": "OE1" <-> "OE2" Residue "E ARG 2323": "NH1" <-> "NH2" Residue "E ASP 2474": "OD1" <-> "OD2" Residue "E TYR 2477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 2519": "NH1" <-> "NH2" Residue "E TYR 2520": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 2716": "OE1" <-> "OE2" Residue "E GLU 2719": "OE1" <-> "OE2" Residue "E TYR 2725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 2731": "OD1" <-> "OD2" Residue "E GLU 2766": "OE1" <-> "OE2" Residue "E TYR 3610": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 3616": "NH1" <-> "NH2" Residue "E ASP 3644": "OD1" <-> "OD2" Residue "E ASP 3663": "OD1" <-> "OD2" Residue "E TYR 3692": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 3877": "OD1" <-> "OD2" Residue "E ASP 3900": "OD1" <-> "OD2" Residue "E TYR 4059": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 4108": "OE1" <-> "OE2" Residue "E ARG 4148": "NH1" <-> "NH2" Residue "E ARG 4158": "NH1" <-> "NH2" Residue "E PHE 4175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 4498": "NH1" <-> "NH2" Residue "E TYR 4501": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 4504": "NH1" <-> "NH2" Residue "E TYR 4568": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 4626": "OD1" <-> "OD2" Residue "E TYR 4722": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 4735": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 4746": "OD1" <-> "OD2" Residue "E PHE 4851": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 4853": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 4884": "OD1" <-> "OD2" Residue "E PHE 4952": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 13": "NH1" <-> "NH2" Residue "G PHE 48": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 129": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 152": "OD1" <-> "OD2" Residue "G ARG 190": "NH1" <-> "NH2" Residue "G ARG 257": "NH1" <-> "NH2" Residue "G TYR 305": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 362": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 374": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 463": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 674": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 788": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 802": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 840": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 862": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 1088": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 1180": "OE1" <-> "OE2" Residue "G PHE 1195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 1201": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 1217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 1427": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 1648": "OE1" <-> "OE2" Residue "G PHE 1763": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 1837": "OE1" <-> "OE2" Residue "G ASP 1916": "OD1" <-> "OD2" Residue "G TYR 2039": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 2107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 2149": "OD1" <-> "OD2" Residue "G GLU 2260": "OE1" <-> "OE2" Residue "G ARG 2323": "NH1" <-> "NH2" Residue "G ASP 2474": "OD1" <-> "OD2" Residue "G TYR 2477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 2519": "NH1" <-> "NH2" Residue "G TYR 2520": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 2716": "OE1" <-> "OE2" Residue "G GLU 2719": "OE1" <-> "OE2" Residue "G TYR 2725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 2731": "OD1" <-> "OD2" Residue "G GLU 2766": "OE1" <-> "OE2" Residue "G TYR 3610": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 3616": "NH1" <-> "NH2" Residue "G ASP 3644": "OD1" <-> "OD2" Residue "G ASP 3663": "OD1" <-> "OD2" Residue "G TYR 3692": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 3877": "OD1" <-> "OD2" Residue "G ASP 3900": "OD1" <-> "OD2" Residue "G TYR 4059": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 4108": "OE1" <-> "OE2" Residue "G ARG 4148": "NH1" <-> "NH2" Residue "G ARG 4158": "NH1" <-> "NH2" Residue "G PHE 4175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 4498": "NH1" <-> "NH2" Residue "G TYR 4501": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 4504": "NH1" <-> "NH2" Residue "G TYR 4568": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 4626": "OD1" <-> "OD2" Residue "G TYR 4722": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 4735": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 4746": "OD1" <-> "OD2" Residue "G PHE 4851": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 4853": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 4884": "OD1" <-> "OD2" Residue "G PHE 4952": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ARG 13": "NH1" <-> "NH2" Time to flip residues: 0.24s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/chem_data/mon_lib" Total number of atoms: 109488 Number of models: 1 Model: "" Number of chains: 12 Chain: "A" Number of atoms: 26537 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3476, 26537 Classifications: {'peptide': 3476} Incomplete info: {'backbone_only': 1, 'truncation_to_alanine': 342} Link IDs: {'CIS': 17, 'PTRANS': 117, 'TRANS': 3341} Chain breaks: 59 Unresolved chain link angles: 13 Unresolved non-hydrogen bonds: 1427 Unresolved non-hydrogen angles: 1812 Unresolved non-hydrogen dihedrals: 1192 Unresolved non-hydrogen chiralities: 119 Planarities with less than four sites: {'GLN:plan1': 16, 'HIS:plan': 19, 'TYR:plan': 15, 'ASN:plan1': 18, 'TRP:plan': 2, 'ASP:plan': 21, 'PHE:plan': 20, 'GLU:plan': 33, 'ARG:plan': 32} Unresolved non-hydrogen planarities: 790 Chain: "B" Number of atoms: 819 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 819 Classifications: {'peptide': 107} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 99} Chain: "C" Number of atoms: 26537 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3476, 26537 Classifications: {'peptide': 3476} Incomplete info: {'backbone_only': 1, 'truncation_to_alanine': 342} Link IDs: {'CIS': 17, 'PTRANS': 117, 'TRANS': 3341} Chain breaks: 59 Unresolved chain link angles: 13 Unresolved non-hydrogen bonds: 1427 Unresolved non-hydrogen angles: 1812 Unresolved non-hydrogen dihedrals: 1193 Unresolved non-hydrogen chiralities: 119 Planarities with less than four sites: {'GLN:plan1': 16, 'HIS:plan': 19, 'TYR:plan': 15, 'ASN:plan1': 18, 'TRP:plan': 2, 'ASP:plan': 21, 'PHE:plan': 20, 'GLU:plan': 33, 'ARG:plan': 32} Unresolved non-hydrogen planarities: 790 Chain: "D" Number of atoms: 819 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 819 Classifications: {'peptide': 107} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 99} Chain: "E" Number of atoms: 26537 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3476, 26537 Classifications: {'peptide': 3476} Incomplete info: {'backbone_only': 1, 'truncation_to_alanine': 342} Link IDs: {'CIS': 17, 'PTRANS': 117, 'TRANS': 3341} Chain breaks: 59 Unresolved chain link angles: 13 Unresolved non-hydrogen bonds: 1427 Unresolved non-hydrogen angles: 1812 Unresolved non-hydrogen dihedrals: 1193 Unresolved non-hydrogen chiralities: 119 Planarities with less than four sites: {'GLN:plan1': 16, 'HIS:plan': 19, 'TYR:plan': 15, 'ASN:plan1': 18, 'TRP:plan': 2, 'ASP:plan': 21, 'PHE:plan': 20, 'GLU:plan': 33, 'ARG:plan': 32} Unresolved non-hydrogen planarities: 790 Chain: "F" Number of atoms: 819 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 819 Classifications: {'peptide': 107} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 99} Chain: "G" Number of atoms: 26537 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3476, 26537 Classifications: {'peptide': 3476} Incomplete info: {'backbone_only': 1, 'truncation_to_alanine': 342} Link IDs: {'CIS': 17, 'PTRANS': 117, 'TRANS': 3341} Chain breaks: 59 Unresolved chain link angles: 13 Unresolved non-hydrogen bonds: 1427 Unresolved non-hydrogen angles: 1812 Unresolved non-hydrogen dihedrals: 1194 Unresolved non-hydrogen chiralities: 119 Planarities with less than four sites: {'GLN:plan1': 16, 'HIS:plan': 19, 'TYR:plan': 15, 'ASN:plan1': 18, 'TRP:plan': 2, 'ASP:plan': 21, 'PHE:plan': 20, 'GLU:plan': 33, 'ARG:plan': 32} Unresolved non-hydrogen planarities: 790 Chain: "H" Number of atoms: 819 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 819 Classifications: {'peptide': 107} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 99} Chain: "A" Number of atoms: 16 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 16 Unusual residues: {' CA': 1, ' ZN': 1, 'CFF': 1} Classifications: {'undetermined': 3} Link IDs: {None: 2} Chain: "C" Number of atoms: 16 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 16 Unusual residues: {' CA': 1, ' ZN': 1, 'CFF': 1} Classifications: {'undetermined': 3} Link IDs: {None: 2} Chain: "E" Number of atoms: 16 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 16 Unusual residues: {' CA': 1, ' ZN': 1, 'CFF': 1} Classifications: {'undetermined': 3} Link IDs: {None: 2} Chain: "G" Number of atoms: 16 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 16 Unusual residues: {' CA': 1, ' ZN': 1, 'CFF': 1} Classifications: {'undetermined': 3} Link IDs: {None: 2} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM 25896 SG CYS A4889 205.500 203.764 85.111 1.00257.07 S ATOM 25921 SG CYS A4892 204.220 202.319 88.756 1.00266.95 S ATOM 53252 SG CYS C4889 203.753 176.364 85.102 1.00257.07 S ATOM 53277 SG CYS C4892 202.308 177.644 88.746 1.00266.95 S ATOM 80608 SG CYS E4889 176.371 178.107 85.097 1.00257.07 S ATOM 80633 SG CYS E4892 177.651 179.551 88.741 1.00266.95 S ATOM A0658 SG CYS G4889 178.102 205.494 85.101 1.00257.07 S ATOM A065X SG CYS G4892 179.547 204.214 88.745 1.00266.95 S Residues with excluded nonbonded symmetry interactions: 4 residue: pdb=" N HIS B 87 " occ=0.99 ... (8 atoms not shown) pdb=" NE2 HIS B 87 " occ=0.99 residue: pdb=" N HIS D 87 " occ=0.99 ... (8 atoms not shown) pdb=" NE2 HIS D 87 " occ=0.99 residue: pdb=" N HIS F 87 " occ=0.99 ... (8 atoms not shown) pdb=" NE2 HIS F 87 " occ=0.99 residue: pdb=" N HIS H 87 " occ=0.99 ... (8 atoms not shown) pdb=" NE2 HIS H 87 " occ=0.99 Time building chain proxies: 39.92, per 1000 atoms: 0.36 Number of scatterers: 109488 At special positions: 0 Unit cell: (382.941, 382.941, 205.108, 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 4 29.99 Ca 4 19.99 S 644 16.00 O 20412 8.00 N 18744 7.00 C 69680 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 32.35 Conformation dependent library (CDL) restraints added in 13.6 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN A6000 " pdb="ZN ZN A6000 " - pdb=" NE2 HIS A4914 " pdb="ZN ZN A6000 " - pdb=" SG CYS A4889 " pdb="ZN ZN A6000 " - pdb=" SG CYS A4892 " pdb=" ZN C6000 " pdb="ZN ZN C6000 " - pdb=" NE2 HIS C4914 " pdb="ZN ZN C6000 " - pdb=" SG CYS C4889 " pdb="ZN ZN C6000 " - pdb=" SG CYS C4892 " pdb=" ZN E6000 " pdb="ZN ZN E6000 " - pdb=" NE2 HIS E4914 " pdb="ZN ZN E6000 " - pdb=" SG CYS E4889 " pdb="ZN ZN E6000 " - pdb=" SG CYS E4892 " pdb=" ZN G6000 " pdb="ZN ZN G6000 " - pdb=" NE2 HIS G4914 " pdb="ZN ZN G6000 " - pdb=" SG CYS G4889 " pdb="ZN ZN G6000 " - pdb=" SG CYS G4892 " 27688 Ramachandran restraints generated. 13844 Oldfield, 0 Emsley, 13844 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 26856 Finding SS restraints... Warning!!! ksdssp method is not applicable for structures that cannot fit in PDB format. Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 560 helices and 92 sheets defined 57.0% alpha, 9.3% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 26.25 Creating SS restraints... Processing helix chain 'A' and resid 61 through 66 removed outlier: 5.187A pdb=" N CYS A 65 " --> pdb=" O ASP A 61 " (cutoff:3.500A) Processing helix chain 'A' and resid 74 through 85 removed outlier: 4.101A pdb=" N GLN A 79 " --> pdb=" O VAL A 75 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N GLU A 80 " --> pdb=" O ARG A 76 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N MET A 81 " --> pdb=" O ALA A 77 " (cutoff:3.500A) removed outlier: 4.779A pdb=" N THR A 85 " --> pdb=" O MET A 81 " (cutoff:3.500A) Processing helix chain 'A' and resid 100 through 106 removed outlier: 4.573A pdb=" N THR A 104 " --> pdb=" O PHE A 100 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N ALA A 105 " --> pdb=" O MET A 101 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLN A 106 " --> pdb=" O MET A 102 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 100 through 106' Processing helix chain 'A' and resid 155 through 160 removed outlier: 4.001A pdb=" N TRP A 159 " --> pdb=" O GLY A 155 " (cutoff:3.500A) removed outlier: 5.081A pdb=" N TRP A 160 " --> pdb=" O GLU A 156 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 155 through 160' Processing helix chain 'A' and resid 266 through 271 removed outlier: 4.454A pdb=" N ALA A 271 " --> pdb=" O VAL A 267 " (cutoff:3.500A) Processing helix chain 'A' and resid 318 through 323 removed outlier: 3.610A pdb=" N ALA A 322 " --> pdb=" O ASP A 318 " (cutoff:3.500A) removed outlier: 5.242A pdb=" N ASP A 323 " --> pdb=" O LYS A 319 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 318 through 323' Processing helix chain 'A' and resid 409 through 439 removed outlier: 3.914A pdb=" N ARG A 428 " --> pdb=" O PHE A 424 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N LEU A 436 " --> pdb=" O GLY A 432 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LYS A 438 " --> pdb=" O ASP A 434 " (cutoff:3.500A) Processing helix chain 'A' and resid 448 through 464 removed outlier: 5.168A pdb=" N VAL A 452 " --> pdb=" O PRO A 448 " (cutoff:3.500A) Processing helix chain 'A' and resid 471 through 493 Processing helix chain 'A' and resid 494 through 506 Processing helix chain 'A' and resid 519 through 543 removed outlier: 5.373A pdb=" N SER A 525 " --> pdb=" O GLU A 521 " (cutoff:3.500A) removed outlier: 5.657A pdb=" N TRP A 526 " --> pdb=" O ALA A 522 " (cutoff:3.500A) removed outlier: 5.936A pdb=" N LYS A 527 " --> pdb=" O GLY A 523 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N SER A 528 " --> pdb=" O GLU A 524 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N LEU A 540 " --> pdb=" O LEU A 536 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N ILE A 541 " --> pdb=" O LEU A 537 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N ARG A 542 " --> pdb=" O ALA A 538 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N GLY A 543 " --> pdb=" O ALA A 539 " (cutoff:3.500A) Processing helix chain 'A' and resid 544 through 550 removed outlier: 4.696A pdb=" N GLN A 550 " --> pdb=" O LYS A 546 " (cutoff:3.500A) Processing helix chain 'A' and resid 551 through 562 removed outlier: 3.760A pdb=" N ASP A 556 " --> pdb=" O SER A 552 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N TRP A 557 " --> pdb=" O GLY A 553 " (cutoff:3.500A) Processing helix chain 'A' and resid 567 through 582 removed outlier: 3.595A pdb=" N ILE A 571 " --> pdb=" O ALA A 567 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N GLU A 581 " --> pdb=" O CYS A 577 " (cutoff:3.500A) Processing helix chain 'A' and resid 583 through 589 removed outlier: 3.696A pdb=" N ILE A 589 " --> pdb=" O ALA A 585 " (cutoff:3.500A) Processing helix chain 'A' and resid 590 through 605 removed outlier: 3.630A pdb=" N ILE A 594 " --> pdb=" O LYS A 590 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N ASP A 602 " --> pdb=" O ILE A 598 " (cutoff:3.500A) Processing helix chain 'A' and resid 607 through 620 removed outlier: 3.787A pdb=" N LEU A 611 " --> pdb=" O ASN A 607 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N VAL A 619 " --> pdb=" O CYS A 615 " (cutoff:3.500A) removed outlier: 4.590A pdb=" N CYS A 620 " --> pdb=" O SER A 616 " (cutoff:3.500A) Processing helix chain 'A' and resid 625 through 640 Proline residue: A 638 - end of helix Processing helix chain 'A' and resid 821 through 827 removed outlier: 4.986A pdb=" N LEU A 827 " --> pdb=" O TYR A 823 " (cutoff:3.500A) Processing helix chain 'A' and resid 875 through 901 removed outlier: 3.750A pdb=" N GLU A 879 " --> pdb=" O PRO A 875 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ARG A 880 " --> pdb=" O PRO A 876 " (cutoff:3.500A) removed outlier: 5.300A pdb=" N ILE A 881 " --> pdb=" O HIS A 877 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N LEU A 900 " --> pdb=" O ASN A 896 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N GLY A 901 " --> pdb=" O LYS A 897 " (cutoff:3.500A) Processing helix chain 'A' and resid 920 through 925 Proline residue: A 925 - end of helix Processing helix chain 'A' and resid 929 through 947 removed outlier: 3.924A pdb=" N SER A 936 " --> pdb=" O ASN A 932 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N LEU A 937 " --> pdb=" O LEU A 933 " (cutoff:3.500A) Processing helix chain 'A' and resid 989 through 1012 Processing helix chain 'A' and resid 1034 through 1039 removed outlier: 4.909A pdb=" N ASP A1039 " --> pdb=" O TYR A1035 " (cutoff:3.500A) Processing helix chain 'A' and resid 1040 through 1061 removed outlier: 4.740A pdb=" N SER A1045 " --> pdb=" O ARG A1041 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LYS A1047 " --> pdb=" O LYS A1043 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N SER A1049 " --> pdb=" O SER A1045 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N THR A1056 " --> pdb=" O GLU A1052 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N LEU A1057 " --> pdb=" O ALA A1053 " (cutoff:3.500A) removed outlier: 4.474A pdb=" N GLY A1061 " --> pdb=" O LEU A1057 " (cutoff:3.500A) Processing helix chain 'A' and resid 1224 through 1230 removed outlier: 3.689A pdb=" N ILE A1229 " --> pdb=" O LYS A1225 " (cutoff:3.500A) Processing helix chain 'A' and resid 1570 through 1576 removed outlier: 4.206A pdb=" N GLU A1574 " --> pdb=" O LEU A1570 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N LYS A1576 " --> pdb=" O LYS A1572 " (cutoff:3.500A) Processing helix chain 'A' and resid 1643 through 1648 removed outlier: 4.699A pdb=" N GLN A1647 " --> pdb=" O GLU A1643 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N GLU A1648 " --> pdb=" O LEU A1644 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1643 through 1648' Processing helix chain 'A' and resid 1649 through 1666 removed outlier: 4.100A pdb=" N ALA A1666 " --> pdb=" O SER A1662 " (cutoff:3.500A) Processing helix chain 'A' and resid 1669 through 1680 removed outlier: 3.952A pdb=" N HIS A1674 " --> pdb=" O HIS A1670 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N CYS A1677 " --> pdb=" O ALA A1673 " (cutoff:3.500A) removed outlier: 4.817A pdb=" N SER A1678 " --> pdb=" O HIS A1674 " (cutoff:3.500A) removed outlier: 4.681A pdb=" N HIS A1679 " --> pdb=" O ALA A1675 " (cutoff:3.500A) Processing helix chain 'A' and resid 1681 through 1692 removed outlier: 5.745A pdb=" N LYS A1692 " --> pdb=" O ALA A1688 " (cutoff:3.500A) Processing helix chain 'A' and resid 1695 through 1710 removed outlier: 3.643A pdb=" N LEU A1706 " --> pdb=" O TYR A1702 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N ILE A1707 " --> pdb=" O TYR A1703 " (cutoff:3.500A) Processing helix chain 'A' and resid 1711 through 1722 Processing helix chain 'A' and resid 1730 through 1736 removed outlier: 4.311A pdb=" N ILE A1736 " --> pdb=" O GLU A1732 " (cutoff:3.500A) Processing helix chain 'A' and resid 1773 through 1778 removed outlier: 5.909A pdb=" N GLN A1777 " --> pdb=" O ASN A1773 " (cutoff:3.500A) removed outlier: 6.312A pdb=" N TYR A1778 " --> pdb=" O GLU A1774 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1773 through 1778' Processing helix chain 'A' and resid 1783 through 1805 removed outlier: 3.512A pdb=" N SER A1803 " --> pdb=" O VAL A1799 " (cutoff:3.500A) Processing helix chain 'A' and resid 1813 through 1832 Proline residue: A1820 - end of helix removed outlier: 3.825A pdb=" N GLY A1832 " --> pdb=" O LEU A1828 " (cutoff:3.500A) Processing helix chain 'A' and resid 1835 through 1847 removed outlier: 4.278A pdb=" N LEU A1839 " --> pdb=" O HIS A1835 " (cutoff:3.500A) Processing helix chain 'A' and resid 1900 through 1945 removed outlier: 4.573A pdb=" N LEU A1909 " --> pdb=" O LEU A1905 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N LEU A1910 " --> pdb=" O GLN A1906 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU A1911 " --> pdb=" O MET A1907 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N ASP A1932 " --> pdb=" O ALA A1928 " (cutoff:3.500A) removed outlier: 5.459A pdb=" N ALA A1935 " --> pdb=" O ASP A1931 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N LYS A1936 " --> pdb=" O ASP A1932 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N LEU A1937 " --> pdb=" O PHE A1933 " (cutoff:3.500A) Processing helix chain 'A' and resid 1995 through 2001 removed outlier: 6.954A pdb=" N ASP A1999 " --> pdb=" O ASP A1995 " (cutoff:3.500A) removed outlier: 8.097A pdb=" N PHE A2000 " --> pdb=" O GLN A1996 " (cutoff:3.500A) removed outlier: 7.485A pdb=" N HIS A2001 " --> pdb=" O LEU A1997 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1995 through 2001' Processing helix chain 'A' and resid 2002 through 2012 Processing helix chain 'A' and resid 2024 through 2039 removed outlier: 3.951A pdb=" N GLY A2028 " --> pdb=" O LEU A2024 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N LEU A2030 " --> pdb=" O ILE A2026 " (cutoff:3.500A) removed outlier: 4.627A pdb=" N TYR A2039 " --> pdb=" O GLU A2035 " (cutoff:3.500A) Processing helix chain 'A' and resid 2059 through 2073 removed outlier: 3.980A pdb=" N MET A2067 " --> pdb=" O ILE A2063 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N VAL A2068 " --> pdb=" O SER A2064 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N ARG A2069 " --> pdb=" O GLU A2065 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N TRP A2070 " --> pdb=" O THR A2066 " (cutoff:3.500A) Processing helix chain 'A' and resid 2078 through 2095 removed outlier: 3.766A pdb=" N VAL A2082 " --> pdb=" O ASP A2078 " (cutoff:3.500A) Processing helix chain 'A' and resid 2096 through 2106 removed outlier: 3.929A pdb=" N LEU A2103 " --> pdb=" O LEU A2099 " (cutoff:3.500A) Proline residue: A2104 - end of helix Processing helix chain 'A' and resid 2113 through 2134 removed outlier: 3.830A pdb=" N THR A2117 " --> pdb=" O SER A2113 " (cutoff:3.500A) removed outlier: 4.597A pdb=" N SER A2132 " --> pdb=" O ARG A2128 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N VAL A2133 " --> pdb=" O SER A2129 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N ARG A2134 " --> pdb=" O LEU A2130 " (cutoff:3.500A) Processing helix chain 'A' and resid 2137 through 2153 removed outlier: 4.849A pdb=" N LYS A2141 " --> pdb=" O LYS A2137 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N LEU A2142 " --> pdb=" O GLU A2138 " (cutoff:3.500A) Processing helix chain 'A' and resid 2154 through 2160 removed outlier: 4.817A pdb=" N GLN A2158 " --> pdb=" O LYS A2154 " (cutoff:3.500A) removed outlier: 5.228A pdb=" N HIS A2159 " --> pdb=" O VAL A2155 " (cutoff:3.500A) Proline residue: A2160 - end of helix No H-bonds generated for 'chain 'A' and resid 2154 through 2160' Processing helix chain 'A' and resid 2161 through 2167 Processing helix chain 'A' and resid 2168 through 2181 removed outlier: 4.341A pdb=" N GLY A2181 " --> pdb=" O VAL A2177 " (cutoff:3.500A) Processing helix chain 'A' and resid 2192 through 2209 removed outlier: 4.031A pdb=" N ILE A2207 " --> pdb=" O TYR A2203 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N SER A2208 " --> pdb=" O PHE A2204 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N ARG A2209 " --> pdb=" O CYS A2205 " (cutoff:3.500A) Processing helix chain 'A' and resid 2210 through 2219 removed outlier: 3.965A pdb=" N ASP A2217 " --> pdb=" O LYS A2213 " (cutoff:3.500A) removed outlier: 5.136A pdb=" N HIS A2218 " --> pdb=" O ALA A2214 " (cutoff:3.500A) removed outlier: 5.094A pdb=" N LEU A2219 " --> pdb=" O MET A2215 " (cutoff:3.500A) Processing helix chain 'A' and resid 2220 through 2227 removed outlier: 4.027A pdb=" N GLU A2224 " --> pdb=" O SER A2220 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N SER A2227 " --> pdb=" O LEU A2223 " (cutoff:3.500A) Processing helix chain 'A' and resid 2239 through 2249 removed outlier: 3.903A pdb=" N VAL A2248 " --> pdb=" O ALA A2244 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N MET A2249 " --> pdb=" O ALA A2245 " (cutoff:3.500A) Processing helix chain 'A' and resid 2251 through 2258 Processing helix chain 'A' and resid 2260 through 2271 removed outlier: 3.732A pdb=" N LEU A2270 " --> pdb=" O VAL A2266 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ALA A2271 " --> pdb=" O VAL A2267 " (cutoff:3.500A) Processing helix chain 'A' and resid 2296 through 2308 removed outlier: 4.399A pdb=" N LEU A2300 " --> pdb=" O GLY A2296 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASP A2301 " --> pdb=" O GLU A2297 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N PHE A2302 " --> pdb=" O ARG A2298 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N PHE A2305 " --> pdb=" O ASP A2301 " (cutoff:3.500A) Processing helix chain 'A' and resid 2314 through 2326 removed outlier: 4.660A pdb=" N ALA A2318 " --> pdb=" O VAL A2314 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N ARG A2323 " --> pdb=" O ASN A2319 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N ILE A2326 " --> pdb=" O VAL A2322 " (cutoff:3.500A) Processing helix chain 'A' and resid 2343 through 2349 removed outlier: 3.819A pdb=" N ALA A2347 " --> pdb=" O GLY A2343 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N MET A2348 " --> pdb=" O LEU A2344 " (cutoff:3.500A) removed outlier: 5.198A pdb=" N GLU A2349 " --> pdb=" O LEU A2345 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2343 through 2349' Processing helix chain 'A' and resid 2388 through 2402 removed outlier: 3.912A pdb=" N LEU A2396 " --> pdb=" O PHE A2392 " (cutoff:3.500A) removed outlier: 4.440A pdb=" N ARG A2402 " --> pdb=" O ASP A2398 " (cutoff:3.500A) Processing helix chain 'A' and resid 2418 through 2426 removed outlier: 5.077A pdb=" N SER A2422 " --> pdb=" O ILE A2418 " (cutoff:3.500A) removed outlier: 4.537A pdb=" N ILE A2423 " --> pdb=" O ARG A2419 " (cutoff:3.500A) Processing helix chain 'A' and resid 2433 through 2440 removed outlier: 4.046A pdb=" N ILE A2437 " --> pdb=" O LEU A2433 " (cutoff:3.500A) removed outlier: 4.863A pdb=" N ILE A2439 " --> pdb=" O GLY A2435 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N ALA A2440 " --> pdb=" O VAL A2436 " (cutoff:3.500A) Processing helix chain 'A' and resid 2461 through 2477 removed outlier: 4.412A pdb=" N LYS A2466 " --> pdb=" O CYS A2462 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ALA A2467 " --> pdb=" O PRO A2463 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N ALA A2468 " --> pdb=" O ASP A2464 " (cutoff:3.500A) Processing helix chain 'A' and resid 2492 through 2499 removed outlier: 3.752A pdb=" N ASP A2496 " --> pdb=" O GLY A2492 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG A2498 " --> pdb=" O LEU A2494 " (cutoff:3.500A) Processing helix chain 'A' and resid 2511 through 2527 removed outlier: 4.095A pdb=" N ASN A2518 " --> pdb=" O ALA A2514 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU A2521 " --> pdb=" O LEU A2517 " (cutoff:3.500A) removed outlier: 5.167A pdb=" N CYS A2522 " --> pdb=" O ASN A2518 " (cutoff:3.500A) removed outlier: 4.759A pdb=" N THR A2523 " --> pdb=" O ARG A2519 " (cutoff:3.500A) Proline residue: A2527 - end of helix Processing helix chain 'A' and resid 2536 through 2553 removed outlier: 4.455A pdb=" N GLU A2540 " --> pdb=" O PHE A2536 " (cutoff:3.500A) Processing helix chain 'A' and resid 2559 through 2576 removed outlier: 3.793A pdb=" N ARG A2567 " --> pdb=" O THR A2563 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ASP A2568 " --> pdb=" O LYS A2564 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N ILE A2570 " --> pdb=" O GLN A2566 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N GLU A2571 " --> pdb=" O ARG A2567 " (cutoff:3.500A) removed outlier: 4.726A pdb=" N SER A2576 " --> pdb=" O VAL A2572 " (cutoff:3.500A) Processing helix chain 'A' and resid 2582 through 2594 removed outlier: 4.020A pdb=" N LEU A2593 " --> pdb=" O LEU A2589 " (cutoff:3.500A) removed outlier: 4.901A pdb=" N VAL A2594 " --> pdb=" O LEU A2590 " (cutoff:3.500A) Processing helix chain 'A' and resid 2596 through 2601 removed outlier: 4.333A pdb=" N LEU A2600 " --> pdb=" O ASP A2596 " (cutoff:3.500A) removed outlier: 4.250A pdb=" N ASN A2601 " --> pdb=" O VAL A2597 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2596 through 2601' Processing helix chain 'A' and resid 2605 through 2624 removed outlier: 4.760A pdb=" N LEU A2610 " --> pdb=" O MET A2606 " (cutoff:3.500A) removed outlier: 5.010A pdb=" N LEU A2611 " --> pdb=" O PRO A2607 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N GLU A2616 " --> pdb=" O THR A2612 " (cutoff:3.500A) removed outlier: 5.021A pdb=" N ARG A2617 " --> pdb=" O ASN A2613 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N CYS A2618 " --> pdb=" O HIS A2614 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N LEU A2624 " --> pdb=" O LYS A2620 " (cutoff:3.500A) Processing helix chain 'A' and resid 2634 through 2653 removed outlier: 4.373A pdb=" N LEU A2653 " --> pdb=" O ILE A2649 " (cutoff:3.500A) Processing helix chain 'A' and resid 2658 through 2679 removed outlier: 4.023A pdb=" N LEU A2665 " --> pdb=" O GLU A2661 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N ALA A2666 " --> pdb=" O LEU A2662 " (cutoff:3.500A) Proline residue: A2668 - end of helix Proline residue: A2678 - end of helix Processing helix chain 'A' and resid 2715 through 2741 removed outlier: 4.769A pdb=" N GLU A2719 " --> pdb=" O PRO A2715 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N TYR A2720 " --> pdb=" O GLU A2716 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N ASN A2740 " --> pdb=" O ASP A2736 " (cutoff:3.500A) Processing helix chain 'A' and resid 2768 through 2786 removed outlier: 4.576A pdb=" N TYR A2772 " --> pdb=" O GLU A2768 " (cutoff:3.500A) Proline residue: A2775 - end of helix removed outlier: 3.769A pdb=" N LYS A2781 " --> pdb=" O LYS A2777 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N THR A2782 " --> pdb=" O GLU A2778 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU A2784 " --> pdb=" O LEU A2780 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ALA A2785 " --> pdb=" O LYS A2781 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N TRP A2786 " --> pdb=" O THR A2782 " (cutoff:3.500A) Processing helix chain 'A' and resid 2835 through 2865 removed outlier: 4.444A pdb=" N MET A2841 " --> pdb=" O ASP A2837 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N SER A2863 " --> pdb=" O LEU A2859 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N LYS A2864 " --> pdb=" O GLU A2860 " (cutoff:3.500A) removed outlier: 4.215A pdb=" N GLY A2865 " --> pdb=" O LEU A2861 " (cutoff:3.500A) Processing helix chain 'A' and resid 2880 through 2901 removed outlier: 3.863A pdb=" N GLU A2888 " --> pdb=" O ALA A2884 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N LYS A2889 " --> pdb=" O LYS A2885 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N ALA A2890 " --> pdb=" O ASP A2886 " (cutoff:3.500A) Processing helix chain 'A' and resid 2987 through 3004 removed outlier: 4.130A pdb=" N LEU A2991 " --> pdb=" O ALA A2987 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N SER A2998 " --> pdb=" O GLY A2994 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N LYS A3000 " --> pdb=" O HIS A2996 " (cutoff:3.500A) removed outlier: 4.962A pdb=" N GLU A3001 " --> pdb=" O ALA A2997 " (cutoff:3.500A) removed outlier: 4.192A pdb=" N LYS A3002 " --> pdb=" O SER A2998 " (cutoff:3.500A) removed outlier: 4.686A pdb=" N GLU A3003 " --> pdb=" O ASN A2999 " (cutoff:3.500A) removed outlier: 5.701A pdb=" N MET A3004 " --> pdb=" O LYS A3000 " (cutoff:3.500A) Processing helix chain 'A' and resid 3009 through 3028 Processing helix chain 'A' and resid 3034 through 3052 Processing helix chain 'A' and resid 3065 through 3082 removed outlier: 4.064A pdb=" N LEU A3069 " --> pdb=" O ALA A3065 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLU A3070 " --> pdb=" O ALA A3066 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N THR A3072 " --> pdb=" O ASP A3068 " (cutoff:3.500A) removed outlier: 4.422A pdb=" N MET A3073 " --> pdb=" O LEU A3069 " (cutoff:3.500A) Processing helix chain 'A' and resid 3100 through 3107 Proline residue: A3104 - end of helix Processing helix chain 'A' and resid 3108 through 3113 Processing helix chain 'A' and resid 3125 through 3144 removed outlier: 4.740A pdb=" N VAL A3129 " --> pdb=" O GLU A3125 " (cutoff:3.500A) removed outlier: 4.701A pdb=" N SER A3130 " --> pdb=" O ASP A3126 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N CYS A3131 " --> pdb=" O VAL A3127 " (cutoff:3.500A) removed outlier: 4.633A pdb=" N ILE A3134 " --> pdb=" O SER A3130 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N LEU A3135 " --> pdb=" O CYS A3131 " (cutoff:3.500A) removed outlier: 4.682A pdb=" N THR A3136 " --> pdb=" O TYR A3132 " (cutoff:3.500A) removed outlier: 4.442A pdb=" N SER A3137 " --> pdb=" O ARG A3133 " (cutoff:3.500A) removed outlier: 4.920A pdb=" N TYR A3139 " --> pdb=" O LEU A3135 " (cutoff:3.500A) removed outlier: 5.072A pdb=" N ALA A3140 " --> pdb=" O THR A3136 " (cutoff:3.500A) Processing helix chain 'A' and resid 3149 through 3166 removed outlier: 3.658A pdb=" N ARG A3153 " --> pdb=" O VAL A3149 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ALA A3155 " --> pdb=" O ARG A3151 " (cutoff:3.500A) removed outlier: 4.365A pdb=" N LEU A3160 " --> pdb=" O LEU A3156 " (cutoff:3.500A) removed outlier: 4.785A pdb=" N ALA A3161 " --> pdb=" O GLY A3157 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N GLY A3165 " --> pdb=" O ALA A3161 " (cutoff:3.500A) removed outlier: 5.438A pdb=" N ALA A3166 " --> pdb=" O ALA A3162 " (cutoff:3.500A) Processing helix chain 'A' and resid 3170 through 3182 removed outlier: 3.951A pdb=" N THR A3174 " --> pdb=" O ALA A3170 " (cutoff:3.500A) removed outlier: 5.813A pdb=" N LYS A3178 " --> pdb=" O THR A3174 " (cutoff:3.500A) removed outlier: 6.382A pdb=" N HIS A3179 " --> pdb=" O HIS A3175 " (cutoff:3.500A) removed outlier: 5.734A pdb=" N ASN A3180 " --> pdb=" O LEU A3176 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N ILE A3181 " --> pdb=" O ASP A3177 " (cutoff:3.500A) Processing helix chain 'A' and resid 3613 through 3629 Processing helix chain 'A' and resid 3637 through 3647 removed outlier: 4.296A pdb=" N LYS A3647 " --> pdb=" O GLU A3643 " (cutoff:3.500A) Processing helix chain 'A' and resid 3663 through 3678 Processing helix chain 'A' and resid 3686 through 3700 removed outlier: 3.748A pdb=" N MET A3690 " --> pdb=" O ASP A3686 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N CYS A3700 " --> pdb=" O MET A3696 " (cutoff:3.500A) Processing helix chain 'A' and resid 3714 through 3734 Processing helix chain 'A' and resid 3736 through 3749 removed outlier: 4.245A pdb=" N MET A3740 " --> pdb=" O GLY A3736 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL A3741 " --> pdb=" O ALA A3737 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N LYS A3749 " --> pdb=" O ILE A3745 " (cutoff:3.500A) Processing helix chain 'A' and resid 3753 through 3768 removed outlier: 3.665A pdb=" N ALA A3757 " --> pdb=" O GLY A3753 " (cutoff:3.500A) Processing helix chain 'A' and resid 3771 through 3786 removed outlier: 3.963A pdb=" N LYS A3785 " --> pdb=" O TYR A3781 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N LYS A3786 " --> pdb=" O LEU A3782 " (cutoff:3.500A) Processing helix chain 'A' and resid 3787 through 3801 removed outlier: 3.881A pdb=" N PHE A3791 " --> pdb=" O ASP A3787 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N SER A3800 " --> pdb=" O GLY A3796 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N CYS A3801 " --> pdb=" O LEU A3797 " (cutoff:3.500A) Processing helix chain 'A' and resid 3805 through 3816 removed outlier: 3.667A pdb=" N PHE A3809 " --> pdb=" O ASP A3805 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N GLU A3816 " --> pdb=" O GLN A3812 " (cutoff:3.500A) Processing helix chain 'A' and resid 3834 through 3849 removed outlier: 3.766A pdb=" N CYS A3848 " --> pdb=" O LEU A3844 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N GLU A3849 " --> pdb=" O GLN A3845 " (cutoff:3.500A) Processing helix chain 'A' and resid 3852 through 3862 Processing helix chain 'A' and resid 3870 through 3895 removed outlier: 3.554A pdb=" N SER A3874 " --> pdb=" O ASN A3870 " (cutoff:3.500A) removed outlier: 4.614A pdb=" N GLY A3895 " --> pdb=" O TRP A3891 " (cutoff:3.500A) Processing helix chain 'A' and resid 3900 through 3926 Processing helix chain 'A' and resid 3929 through 3939 Processing helix chain 'A' and resid 3940 through 3956 removed outlier: 5.019A pdb=" N ALA A3944 " --> pdb=" O ARG A3940 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N HIS A3954 " --> pdb=" O HIS A3950 " (cutoff:3.500A) Processing helix chain 'A' and resid 3963 through 3988 removed outlier: 4.382A pdb=" N GLU A3967 " --> pdb=" O SER A3963 " (cutoff:3.500A) removed outlier: 4.435A pdb=" N LEU A3968 " --> pdb=" O SER A3964 " (cutoff:3.500A) Processing helix chain 'A' and resid 3994 through 4008 Processing helix chain 'A' and resid 4009 through 4029 removed outlier: 3.920A pdb=" N MET A4013 " --> pdb=" O ASN A4009 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N ILE A4014 " --> pdb=" O ASN A4010 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N THR A4028 " --> pdb=" O LEU A4024 " (cutoff:3.500A) removed outlier: 5.001A pdb=" N SER A4029 " --> pdb=" O LYS A4025 " (cutoff:3.500A) Processing helix chain 'A' and resid 4033 through 4038 removed outlier: 3.765A pdb=" N ASP A4037 " --> pdb=" O PHE A4033 " (cutoff:3.500A) Proline residue: A4038 - end of helix No H-bonds generated for 'chain 'A' and resid 4033 through 4038' Processing helix chain 'A' and resid 4045 through 4057 Processing helix chain 'A' and resid 4060 through 4072 removed outlier: 4.572A pdb=" N GLU A4072 " --> pdb=" O LEU A4068 " (cutoff:3.500A) Processing helix chain 'A' and resid 4087 through 4110 Proline residue: A4091 - end of helix Processing helix chain 'A' and resid 4114 through 4123 removed outlier: 4.792A pdb=" N ALA A4123 " --> pdb=" O PHE A4119 " (cutoff:3.500A) Processing helix chain 'A' and resid 4124 through 4131 removed outlier: 4.579A pdb=" N ASN A4128 " --> pdb=" O GLU A4124 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N GLN A4131 " --> pdb=" O LEU A4127 " (cutoff:3.500A) Processing helix chain 'A' and resid 4154 through 4163 removed outlier: 3.932A pdb=" N LYS A4163 " --> pdb=" O THR A4159 " (cutoff:3.500A) Processing helix chain 'A' and resid 4164 through 4180 removed outlier: 7.152A pdb=" N GLU A4168 " --> pdb=" O PRO A4164 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N SER A4169 " --> pdb=" O GLN A4165 " (cutoff:3.500A) Processing helix chain 'A' and resid 4183 through 4206 removed outlier: 5.564A pdb=" N MET A4187 " --> pdb=" O GLU A4183 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N GLU A4188 " --> pdb=" O LYS A4184 " (cutoff:3.500A) removed outlier: 4.667A pdb=" N GLN A4206 " --> pdb=" O GLN A4202 " (cutoff:3.500A) Processing helix chain 'A' and resid 4488 through 4500 removed outlier: 3.622A pdb=" N LEU A4493 " --> pdb=" O GLN A4489 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ASN A4494 " --> pdb=" O GLN A4490 " (cutoff:3.500A) removed outlier: 4.978A pdb=" N TYR A4495 " --> pdb=" O LYS A4491 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N PHE A4496 " --> pdb=" O LEU A4492 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N ALA A4497 " --> pdb=" O LEU A4493 " (cutoff:3.500A) Processing helix chain 'A' and resid 4501 through 4521 removed outlier: 3.823A pdb=" N ALA A4511 " --> pdb=" O ALA A4507 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N PHE A4512 " --> pdb=" O LEU A4508 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N ALA A4513 " --> pdb=" O PHE A4509 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ILE A4517 " --> pdb=" O ALA A4513 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N LEU A4518 " --> pdb=" O ILE A4514 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N LEU A4519 " --> pdb=" O ASN A4515 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N PHE A4520 " --> pdb=" O PHE A4516 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N TYR A4521 " --> pdb=" O ILE A4517 " (cutoff:3.500A) Processing helix chain 'A' and resid 4570 through 4614 removed outlier: 4.276A pdb=" N ILE A4578 " --> pdb=" O ARG A4574 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N THR A4581 " --> pdb=" O ALA A4577 " (cutoff:3.500A) removed outlier: 4.880A pdb=" N VAL A4596 " --> pdb=" O TYR A4592 " (cutoff:3.500A) Proline residue: A4597 - end of helix removed outlier: 5.591A pdb=" N ILE A4600 " --> pdb=" O VAL A4596 " (cutoff:3.500A) Processing helix chain 'A' and resid 4626 through 4636 removed outlier: 3.535A pdb=" N ASP A4632 " --> pdb=" O LYS A4628 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N LEU A4634 " --> pdb=" O GLN A4630 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N VAL A4635 " --> pdb=" O TRP A4631 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ILE A4636 " --> pdb=" O ASP A4632 " (cutoff:3.500A) Processing helix chain 'A' and resid 4648 through 4659 removed outlier: 4.041A pdb=" N ARG A4652 " --> pdb=" O LYS A4648 " (cutoff:3.500A) Processing helix chain 'A' and resid 4664 through 4672 Processing helix chain 'A' and resid 4704 through 4717 removed outlier: 4.063A pdb=" N THR A4716 " --> pdb=" O GLY A4712 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N ASP A4717 " --> pdb=" O VAL A4713 " (cutoff:3.500A) Processing helix chain 'A' and resid 4718 through 4736 removed outlier: 4.365A pdb=" N LEU A4732 " --> pdb=" O THR A4728 " (cutoff:3.500A) removed outlier: 5.207A pdb=" N GLY A4733 " --> pdb=" O MET A4729 " (cutoff:3.500A) removed outlier: 5.298A pdb=" N HIS A4734 " --> pdb=" O SER A4730 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N TYR A4735 " --> pdb=" O VAL A4731 " (cutoff:3.500A) Processing helix chain 'A' and resid 4744 through 4751 removed outlier: 5.088A pdb=" N ALA A4748 " --> pdb=" O LEU A4744 " (cutoff:3.500A) removed outlier: 4.421A pdb=" N MET A4749 " --> pdb=" O LEU A4745 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N PHE A4751 " --> pdb=" O ILE A4747 " (cutoff:3.500A) Processing helix chain 'A' and resid 4753 through 4766 removed outlier: 4.786A pdb=" N ILE A4757 " --> pdb=" O THR A4753 " (cutoff:3.500A) removed outlier: 5.147A pdb=" N ASN A4764 " --> pdb=" O SER A4760 " (cutoff:3.500A) removed outlier: 5.027A pdb=" N LYS A4766 " --> pdb=" O THR A4762 " (cutoff:3.500A) Processing helix chain 'A' and resid 4767 through 4790 removed outlier: 4.183A pdb=" N VAL A4784 " --> pdb=" O TYR A4780 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N VAL A4785 " --> pdb=" O LEU A4781 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N ALA A4786 " --> pdb=" O TYR A4782 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N PHE A4787 " --> pdb=" O THR A4783 " (cutoff:3.500A) Processing helix chain 'A' and resid 4809 through 4824 removed outlier: 4.147A pdb=" N VAL A4822 " --> pdb=" O MET A4818 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N ARG A4823 " --> pdb=" O TYR A4819 " (cutoff:3.500A) Processing helix chain 'A' and resid 4827 through 4833 removed outlier: 4.103A pdb=" N GLU A4831 " --> pdb=" O GLY A4827 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ILE A4832 " --> pdb=" O ILE A4828 " (cutoff:3.500A) removed outlier: 5.533A pdb=" N GLU A4833 " --> pdb=" O GLY A4829 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 4827 through 4833' Processing helix chain 'A' and resid 4840 through 4855 Processing helix chain 'A' and resid 4858 through 4887 Processing helix chain 'A' and resid 4895 through 4901 Processing helix chain 'A' and resid 4904 through 4913 removed outlier: 4.528A pdb=" N THR A4908 " --> pdb=" O HIS A4904 " (cutoff:3.500A) Processing helix chain 'A' and resid 4915 through 4930 removed outlier: 4.367A pdb=" N TYR A4919 " --> pdb=" O ASN A4915 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N LEU A4920 " --> pdb=" O LEU A4916 " (cutoff:3.500A) removed outlier: 5.028A pdb=" N ASP A4930 " --> pdb=" O LEU A4926 " (cutoff:3.500A) Processing helix chain 'A' and resid 4935 through 4948 Processing helix chain 'A' and resid 4958 through 4964 removed outlier: 4.940A pdb=" N GLU A4964 " --> pdb=" O ARG A4960 " (cutoff:3.500A) Processing helix chain 'A' and resid 219 through 224 removed outlier: 5.712A pdb=" N GLU A 222 " --> pdb=" O SER A 219 " (cutoff:3.500A) removed outlier: 7.962A pdb=" N ALA A 223 " --> pdb=" O GLY A 220 " (cutoff:3.500A) removed outlier: 5.664A pdb=" N ALA A 224 " --> pdb=" O SER A 221 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 219 through 224' Processing helix chain 'A' and resid 2482 through 2488 removed outlier: 5.039A pdb=" N LEU A2485 " --> pdb=" O GLN A2482 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU A2486 " --> pdb=" O ASP A2483 " (cutoff:3.500A) Processing helix chain 'A' and resid 54 through 59 Proline residue: A 59 - end of helix No H-bonds generated for 'chain 'A' and resid 54 through 59' Processing helix chain 'A' and resid 4615 through 4620 Processing helix chain 'C' and resid 61 through 66 removed outlier: 5.187A pdb=" N CYS C 65 " --> pdb=" O ASP C 61 " (cutoff:3.500A) Processing helix chain 'C' and resid 74 through 85 removed outlier: 4.102A pdb=" N GLN C 79 " --> pdb=" O VAL C 75 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N GLU C 80 " --> pdb=" O ARG C 76 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N MET C 81 " --> pdb=" O ALA C 77 " (cutoff:3.500A) removed outlier: 4.780A pdb=" N THR C 85 " --> pdb=" O MET C 81 " (cutoff:3.500A) Processing helix chain 'C' and resid 100 through 106 removed outlier: 4.573A pdb=" N THR C 104 " --> pdb=" O PHE C 100 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N ALA C 105 " --> pdb=" O MET C 101 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLN C 106 " --> pdb=" O MET C 102 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 100 through 106' Processing helix chain 'C' and resid 155 through 160 removed outlier: 4.001A pdb=" N TRP C 159 " --> pdb=" O GLY C 155 " (cutoff:3.500A) removed outlier: 5.082A pdb=" N TRP C 160 " --> pdb=" O GLU C 156 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 155 through 160' Processing helix chain 'C' and resid 266 through 271 removed outlier: 4.454A pdb=" N ALA C 271 " --> pdb=" O VAL C 267 " (cutoff:3.500A) Processing helix chain 'C' and resid 318 through 323 removed outlier: 3.610A pdb=" N ALA C 322 " --> pdb=" O ASP C 318 " (cutoff:3.500A) removed outlier: 5.241A pdb=" N ASP C 323 " --> pdb=" O LYS C 319 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 318 through 323' Processing helix chain 'C' and resid 409 through 439 removed outlier: 3.913A pdb=" N ARG C 428 " --> pdb=" O PHE C 424 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N LEU C 436 " --> pdb=" O GLY C 432 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LYS C 438 " --> pdb=" O ASP C 434 " (cutoff:3.500A) Processing helix chain 'C' and resid 448 through 464 removed outlier: 5.168A pdb=" N VAL C 452 " --> pdb=" O PRO C 448 " (cutoff:3.500A) Processing helix chain 'C' and resid 471 through 493 Processing helix chain 'C' and resid 494 through 506 Processing helix chain 'C' and resid 519 through 543 removed outlier: 5.373A pdb=" N SER C 525 " --> pdb=" O GLU C 521 " (cutoff:3.500A) removed outlier: 5.658A pdb=" N TRP C 526 " --> pdb=" O ALA C 522 " (cutoff:3.500A) removed outlier: 5.936A pdb=" N LYS C 527 " --> pdb=" O GLY C 523 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N SER C 528 " --> pdb=" O GLU C 524 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N LEU C 540 " --> pdb=" O LEU C 536 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N ILE C 541 " --> pdb=" O LEU C 537 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N ARG C 542 " --> pdb=" O ALA C 538 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N GLY C 543 " --> pdb=" O ALA C 539 " (cutoff:3.500A) Processing helix chain 'C' and resid 544 through 550 removed outlier: 4.697A pdb=" N GLN C 550 " --> pdb=" O LYS C 546 " (cutoff:3.500A) Processing helix chain 'C' and resid 551 through 562 removed outlier: 3.760A pdb=" N ASP C 556 " --> pdb=" O SER C 552 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N TRP C 557 " --> pdb=" O GLY C 553 " (cutoff:3.500A) Processing helix chain 'C' and resid 567 through 582 removed outlier: 3.596A pdb=" N ILE C 571 " --> pdb=" O ALA C 567 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N GLU C 581 " --> pdb=" O CYS C 577 " (cutoff:3.500A) Processing helix chain 'C' and resid 583 through 589 removed outlier: 3.696A pdb=" N ILE C 589 " --> pdb=" O ALA C 585 " (cutoff:3.500A) Processing helix chain 'C' and resid 590 through 605 removed outlier: 3.630A pdb=" N ILE C 594 " --> pdb=" O LYS C 590 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ASP C 602 " --> pdb=" O ILE C 598 " (cutoff:3.500A) Processing helix chain 'C' and resid 607 through 620 removed outlier: 3.788A pdb=" N LEU C 611 " --> pdb=" O ASN C 607 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N VAL C 619 " --> pdb=" O CYS C 615 " (cutoff:3.500A) removed outlier: 4.590A pdb=" N CYS C 620 " --> pdb=" O SER C 616 " (cutoff:3.500A) Processing helix chain 'C' and resid 625 through 640 Proline residue: C 638 - end of helix Processing helix chain 'C' and resid 821 through 827 removed outlier: 4.986A pdb=" N LEU C 827 " --> pdb=" O TYR C 823 " (cutoff:3.500A) Processing helix chain 'C' and resid 875 through 901 removed outlier: 3.750A pdb=" N GLU C 879 " --> pdb=" O PRO C 875 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ARG C 880 " --> pdb=" O PRO C 876 " (cutoff:3.500A) removed outlier: 5.301A pdb=" N ILE C 881 " --> pdb=" O HIS C 877 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N LEU C 900 " --> pdb=" O ASN C 896 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N GLY C 901 " --> pdb=" O LYS C 897 " (cutoff:3.500A) Processing helix chain 'C' and resid 920 through 925 Proline residue: C 925 - end of helix Processing helix chain 'C' and resid 929 through 947 removed outlier: 3.924A pdb=" N SER C 936 " --> pdb=" O ASN C 932 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LEU C 937 " --> pdb=" O LEU C 933 " (cutoff:3.500A) Processing helix chain 'C' and resid 989 through 1012 Processing helix chain 'C' and resid 1034 through 1039 removed outlier: 4.909A pdb=" N ASP C1039 " --> pdb=" O TYR C1035 " (cutoff:3.500A) Processing helix chain 'C' and resid 1040 through 1061 removed outlier: 4.740A pdb=" N SER C1045 " --> pdb=" O ARG C1041 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LYS C1047 " --> pdb=" O LYS C1043 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N SER C1049 " --> pdb=" O SER C1045 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N THR C1056 " --> pdb=" O GLU C1052 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N LEU C1057 " --> pdb=" O ALA C1053 " (cutoff:3.500A) removed outlier: 4.474A pdb=" N GLY C1061 " --> pdb=" O LEU C1057 " (cutoff:3.500A) Processing helix chain 'C' and resid 1224 through 1230 removed outlier: 3.689A pdb=" N ILE C1229 " --> pdb=" O LYS C1225 " (cutoff:3.500A) Processing helix chain 'C' and resid 1570 through 1576 removed outlier: 4.206A pdb=" N GLU C1574 " --> pdb=" O LEU C1570 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LYS C1576 " --> pdb=" O LYS C1572 " (cutoff:3.500A) Processing helix chain 'C' and resid 1643 through 1648 removed outlier: 4.699A pdb=" N GLN C1647 " --> pdb=" O GLU C1643 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU C1648 " --> pdb=" O LEU C1644 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1643 through 1648' Processing helix chain 'C' and resid 1649 through 1666 removed outlier: 4.100A pdb=" N ALA C1666 " --> pdb=" O SER C1662 " (cutoff:3.500A) Processing helix chain 'C' and resid 1669 through 1680 removed outlier: 3.952A pdb=" N HIS C1674 " --> pdb=" O HIS C1670 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N CYS C1677 " --> pdb=" O ALA C1673 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N SER C1678 " --> pdb=" O HIS C1674 " (cutoff:3.500A) removed outlier: 4.681A pdb=" N HIS C1679 " --> pdb=" O ALA C1675 " (cutoff:3.500A) Processing helix chain 'C' and resid 1681 through 1692 removed outlier: 5.744A pdb=" N LYS C1692 " --> pdb=" O ALA C1688 " (cutoff:3.500A) Processing helix chain 'C' and resid 1695 through 1710 removed outlier: 3.643A pdb=" N LEU C1706 " --> pdb=" O TYR C1702 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N ILE C1707 " --> pdb=" O TYR C1703 " (cutoff:3.500A) Processing helix chain 'C' and resid 1711 through 1722 Processing helix chain 'C' and resid 1730 through 1736 removed outlier: 4.312A pdb=" N ILE C1736 " --> pdb=" O GLU C1732 " (cutoff:3.500A) Processing helix chain 'C' and resid 1773 through 1778 removed outlier: 5.910A pdb=" N GLN C1777 " --> pdb=" O ASN C1773 " (cutoff:3.500A) removed outlier: 6.312A pdb=" N TYR C1778 " --> pdb=" O GLU C1774 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1773 through 1778' Processing helix chain 'C' and resid 1783 through 1805 removed outlier: 3.512A pdb=" N SER C1803 " --> pdb=" O VAL C1799 " (cutoff:3.500A) Processing helix chain 'C' and resid 1813 through 1832 Proline residue: C1820 - end of helix removed outlier: 3.825A pdb=" N GLY C1832 " --> pdb=" O LEU C1828 " (cutoff:3.500A) Processing helix chain 'C' and resid 1835 through 1847 removed outlier: 4.277A pdb=" N LEU C1839 " --> pdb=" O HIS C1835 " (cutoff:3.500A) Processing helix chain 'C' and resid 1900 through 1945 removed outlier: 4.573A pdb=" N LEU C1909 " --> pdb=" O LEU C1905 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N LEU C1910 " --> pdb=" O GLN C1906 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU C1911 " --> pdb=" O MET C1907 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N ASP C1932 " --> pdb=" O ALA C1928 " (cutoff:3.500A) removed outlier: 5.459A pdb=" N ALA C1935 " --> pdb=" O ASP C1931 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N LYS C1936 " --> pdb=" O ASP C1932 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N LEU C1937 " --> pdb=" O PHE C1933 " (cutoff:3.500A) Processing helix chain 'C' and resid 1995 through 2001 removed outlier: 6.955A pdb=" N ASP C1999 " --> pdb=" O ASP C1995 " (cutoff:3.500A) removed outlier: 8.098A pdb=" N PHE C2000 " --> pdb=" O GLN C1996 " (cutoff:3.500A) removed outlier: 7.485A pdb=" N HIS C2001 " --> pdb=" O LEU C1997 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1995 through 2001' Processing helix chain 'C' and resid 2002 through 2012 Processing helix chain 'C' and resid 2024 through 2039 removed outlier: 3.950A pdb=" N GLY C2028 " --> pdb=" O LEU C2024 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N LEU C2030 " --> pdb=" O ILE C2026 " (cutoff:3.500A) removed outlier: 4.628A pdb=" N TYR C2039 " --> pdb=" O GLU C2035 " (cutoff:3.500A) Processing helix chain 'C' and resid 2059 through 2073 removed outlier: 3.980A pdb=" N MET C2067 " --> pdb=" O ILE C2063 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N VAL C2068 " --> pdb=" O SER C2064 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N ARG C2069 " --> pdb=" O GLU C2065 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N TRP C2070 " --> pdb=" O THR C2066 " (cutoff:3.500A) Processing helix chain 'C' and resid 2078 through 2095 removed outlier: 3.766A pdb=" N VAL C2082 " --> pdb=" O ASP C2078 " (cutoff:3.500A) Processing helix chain 'C' and resid 2096 through 2106 removed outlier: 3.930A pdb=" N LEU C2103 " --> pdb=" O LEU C2099 " (cutoff:3.500A) Proline residue: C2104 - end of helix Processing helix chain 'C' and resid 2113 through 2134 removed outlier: 3.829A pdb=" N THR C2117 " --> pdb=" O SER C2113 " (cutoff:3.500A) removed outlier: 4.598A pdb=" N SER C2132 " --> pdb=" O ARG C2128 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N VAL C2133 " --> pdb=" O SER C2129 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N ARG C2134 " --> pdb=" O LEU C2130 " (cutoff:3.500A) Processing helix chain 'C' and resid 2137 through 2153 removed outlier: 4.849A pdb=" N LYS C2141 " --> pdb=" O LYS C2137 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N LEU C2142 " --> pdb=" O GLU C2138 " (cutoff:3.500A) Processing helix chain 'C' and resid 2154 through 2160 removed outlier: 4.817A pdb=" N GLN C2158 " --> pdb=" O LYS C2154 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N HIS C2159 " --> pdb=" O VAL C2155 " (cutoff:3.500A) Proline residue: C2160 - end of helix No H-bonds generated for 'chain 'C' and resid 2154 through 2160' Processing helix chain 'C' and resid 2161 through 2167 Processing helix chain 'C' and resid 2168 through 2181 removed outlier: 4.341A pdb=" N GLY C2181 " --> pdb=" O VAL C2177 " (cutoff:3.500A) Processing helix chain 'C' and resid 2192 through 2209 removed outlier: 4.031A pdb=" N ILE C2207 " --> pdb=" O TYR C2203 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N SER C2208 " --> pdb=" O PHE C2204 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N ARG C2209 " --> pdb=" O CYS C2205 " (cutoff:3.500A) Processing helix chain 'C' and resid 2210 through 2219 removed outlier: 3.965A pdb=" N ASP C2217 " --> pdb=" O LYS C2213 " (cutoff:3.500A) removed outlier: 5.136A pdb=" N HIS C2218 " --> pdb=" O ALA C2214 " (cutoff:3.500A) removed outlier: 5.095A pdb=" N LEU C2219 " --> pdb=" O MET C2215 " (cutoff:3.500A) Processing helix chain 'C' and resid 2220 through 2227 removed outlier: 4.028A pdb=" N GLU C2224 " --> pdb=" O SER C2220 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N SER C2227 " --> pdb=" O LEU C2223 " (cutoff:3.500A) Processing helix chain 'C' and resid 2239 through 2249 removed outlier: 3.903A pdb=" N VAL C2248 " --> pdb=" O ALA C2244 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N MET C2249 " --> pdb=" O ALA C2245 " (cutoff:3.500A) Processing helix chain 'C' and resid 2251 through 2258 Processing helix chain 'C' and resid 2260 through 2271 removed outlier: 3.732A pdb=" N LEU C2270 " --> pdb=" O VAL C2266 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ALA C2271 " --> pdb=" O VAL C2267 " (cutoff:3.500A) Processing helix chain 'C' and resid 2296 through 2308 removed outlier: 4.398A pdb=" N LEU C2300 " --> pdb=" O GLY C2296 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASP C2301 " --> pdb=" O GLU C2297 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N PHE C2302 " --> pdb=" O ARG C2298 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N PHE C2305 " --> pdb=" O ASP C2301 " (cutoff:3.500A) Processing helix chain 'C' and resid 2314 through 2326 removed outlier: 4.660A pdb=" N ALA C2318 " --> pdb=" O VAL C2314 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N ARG C2323 " --> pdb=" O ASN C2319 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N ILE C2326 " --> pdb=" O VAL C2322 " (cutoff:3.500A) Processing helix chain 'C' and resid 2343 through 2349 removed outlier: 3.819A pdb=" N ALA C2347 " --> pdb=" O GLY C2343 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N MET C2348 " --> pdb=" O LEU C2344 " (cutoff:3.500A) removed outlier: 5.198A pdb=" N GLU C2349 " --> pdb=" O LEU C2345 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 2343 through 2349' Processing helix chain 'C' and resid 2388 through 2402 removed outlier: 3.912A pdb=" N LEU C2396 " --> pdb=" O PHE C2392 " (cutoff:3.500A) removed outlier: 4.440A pdb=" N ARG C2402 " --> pdb=" O ASP C2398 " (cutoff:3.500A) Processing helix chain 'C' and resid 2418 through 2426 removed outlier: 5.077A pdb=" N SER C2422 " --> pdb=" O ILE C2418 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N ILE C2423 " --> pdb=" O ARG C2419 " (cutoff:3.500A) Processing helix chain 'C' and resid 2433 through 2440 removed outlier: 4.047A pdb=" N ILE C2437 " --> pdb=" O LEU C2433 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N ILE C2439 " --> pdb=" O GLY C2435 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N ALA C2440 " --> pdb=" O VAL C2436 " (cutoff:3.500A) Processing helix chain 'C' and resid 2461 through 2477 removed outlier: 4.412A pdb=" N LYS C2466 " --> pdb=" O CYS C2462 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ALA C2467 " --> pdb=" O PRO C2463 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N ALA C2468 " --> pdb=" O ASP C2464 " (cutoff:3.500A) Processing helix chain 'C' and resid 2492 through 2499 removed outlier: 3.752A pdb=" N ASP C2496 " --> pdb=" O GLY C2492 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG C2498 " --> pdb=" O LEU C2494 " (cutoff:3.500A) Processing helix chain 'C' and resid 2511 through 2527 removed outlier: 4.094A pdb=" N ASN C2518 " --> pdb=" O ALA C2514 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU C2521 " --> pdb=" O LEU C2517 " (cutoff:3.500A) removed outlier: 5.167A pdb=" N CYS C2522 " --> pdb=" O ASN C2518 " (cutoff:3.500A) removed outlier: 4.760A pdb=" N THR C2523 " --> pdb=" O ARG C2519 " (cutoff:3.500A) Proline residue: C2527 - end of helix Processing helix chain 'C' and resid 2536 through 2553 removed outlier: 4.455A pdb=" N GLU C2540 " --> pdb=" O PHE C2536 " (cutoff:3.500A) Processing helix chain 'C' and resid 2559 through 2576 removed outlier: 3.793A pdb=" N ARG C2567 " --> pdb=" O THR C2563 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ASP C2568 " --> pdb=" O LYS C2564 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N ILE C2570 " --> pdb=" O GLN C2566 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N GLU C2571 " --> pdb=" O ARG C2567 " (cutoff:3.500A) removed outlier: 4.727A pdb=" N SER C2576 " --> pdb=" O VAL C2572 " (cutoff:3.500A) Processing helix chain 'C' and resid 2582 through 2594 removed outlier: 4.020A pdb=" N LEU C2593 " --> pdb=" O LEU C2589 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N VAL C2594 " --> pdb=" O LEU C2590 " (cutoff:3.500A) Processing helix chain 'C' and resid 2596 through 2601 removed outlier: 4.332A pdb=" N LEU C2600 " --> pdb=" O ASP C2596 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N ASN C2601 " --> pdb=" O VAL C2597 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 2596 through 2601' Processing helix chain 'C' and resid 2605 through 2624 removed outlier: 4.760A pdb=" N LEU C2610 " --> pdb=" O MET C2606 " (cutoff:3.500A) removed outlier: 5.010A pdb=" N LEU C2611 " --> pdb=" O PRO C2607 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N GLU C2616 " --> pdb=" O THR C2612 " (cutoff:3.500A) removed outlier: 5.021A pdb=" N ARG C2617 " --> pdb=" O ASN C2613 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N CYS C2618 " --> pdb=" O HIS C2614 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N LEU C2624 " --> pdb=" O LYS C2620 " (cutoff:3.500A) Processing helix chain 'C' and resid 2634 through 2653 removed outlier: 4.372A pdb=" N LEU C2653 " --> pdb=" O ILE C2649 " (cutoff:3.500A) Processing helix chain 'C' and resid 2658 through 2679 removed outlier: 4.023A pdb=" N LEU C2665 " --> pdb=" O GLU C2661 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N ALA C2666 " --> pdb=" O LEU C2662 " (cutoff:3.500A) Proline residue: C2668 - end of helix Proline residue: C2678 - end of helix Processing helix chain 'C' and resid 2715 through 2741 removed outlier: 4.769A pdb=" N GLU C2719 " --> pdb=" O PRO C2715 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N TYR C2720 " --> pdb=" O GLU C2716 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N ASN C2740 " --> pdb=" O ASP C2736 " (cutoff:3.500A) Processing helix chain 'C' and resid 2768 through 2786 removed outlier: 4.576A pdb=" N TYR C2772 " --> pdb=" O GLU C2768 " (cutoff:3.500A) Proline residue: C2775 - end of helix removed outlier: 3.769A pdb=" N LYS C2781 " --> pdb=" O LYS C2777 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR C2782 " --> pdb=" O GLU C2778 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU C2784 " --> pdb=" O LEU C2780 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N ALA C2785 " --> pdb=" O LYS C2781 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N TRP C2786 " --> pdb=" O THR C2782 " (cutoff:3.500A) Processing helix chain 'C' and resid 2835 through 2865 removed outlier: 4.445A pdb=" N MET C2841 " --> pdb=" O ASP C2837 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N SER C2863 " --> pdb=" O LEU C2859 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N LYS C2864 " --> pdb=" O GLU C2860 " (cutoff:3.500A) removed outlier: 4.215A pdb=" N GLY C2865 " --> pdb=" O LEU C2861 " (cutoff:3.500A) Processing helix chain 'C' and resid 2880 through 2901 removed outlier: 3.863A pdb=" N GLU C2888 " --> pdb=" O ALA C2884 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N LYS C2889 " --> pdb=" O LYS C2885 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N ALA C2890 " --> pdb=" O ASP C2886 " (cutoff:3.500A) Processing helix chain 'C' and resid 2987 through 3004 removed outlier: 4.129A pdb=" N LEU C2991 " --> pdb=" O ALA C2987 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N SER C2998 " --> pdb=" O GLY C2994 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N LYS C3000 " --> pdb=" O HIS C2996 " (cutoff:3.500A) removed outlier: 4.962A pdb=" N GLU C3001 " --> pdb=" O ALA C2997 " (cutoff:3.500A) removed outlier: 4.192A pdb=" N LYS C3002 " --> pdb=" O SER C2998 " (cutoff:3.500A) removed outlier: 4.686A pdb=" N GLU C3003 " --> pdb=" O ASN C2999 " (cutoff:3.500A) removed outlier: 5.702A pdb=" N MET C3004 " --> pdb=" O LYS C3000 " (cutoff:3.500A) Processing helix chain 'C' and resid 3009 through 3028 Processing helix chain 'C' and resid 3034 through 3052 Processing helix chain 'C' and resid 3065 through 3082 removed outlier: 4.064A pdb=" N LEU C3069 " --> pdb=" O ALA C3065 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLU C3070 " --> pdb=" O ALA C3066 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N THR C3072 " --> pdb=" O ASP C3068 " (cutoff:3.500A) removed outlier: 4.423A pdb=" N MET C3073 " --> pdb=" O LEU C3069 " (cutoff:3.500A) Processing helix chain 'C' and resid 3100 through 3107 Proline residue: C3104 - end of helix Processing helix chain 'C' and resid 3108 through 3113 Processing helix chain 'C' and resid 3125 through 3144 removed outlier: 4.739A pdb=" N VAL C3129 " --> pdb=" O GLU C3125 " (cutoff:3.500A) removed outlier: 4.702A pdb=" N SER C3130 " --> pdb=" O ASP C3126 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N CYS C3131 " --> pdb=" O VAL C3127 " (cutoff:3.500A) removed outlier: 4.633A pdb=" N ILE C3134 " --> pdb=" O SER C3130 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N LEU C3135 " --> pdb=" O CYS C3131 " (cutoff:3.500A) removed outlier: 4.682A pdb=" N THR C3136 " --> pdb=" O TYR C3132 " (cutoff:3.500A) removed outlier: 4.442A pdb=" N SER C3137 " --> pdb=" O ARG C3133 " (cutoff:3.500A) removed outlier: 4.920A pdb=" N TYR C3139 " --> pdb=" O LEU C3135 " (cutoff:3.500A) removed outlier: 5.071A pdb=" N ALA C3140 " --> pdb=" O THR C3136 " (cutoff:3.500A) Processing helix chain 'C' and resid 3149 through 3166 removed outlier: 3.658A pdb=" N ARG C3153 " --> pdb=" O VAL C3149 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ALA C3155 " --> pdb=" O ARG C3151 " (cutoff:3.500A) removed outlier: 4.365A pdb=" N LEU C3160 " --> pdb=" O LEU C3156 " (cutoff:3.500A) removed outlier: 4.785A pdb=" N ALA C3161 " --> pdb=" O GLY C3157 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N GLY C3165 " --> pdb=" O ALA C3161 " (cutoff:3.500A) removed outlier: 5.438A pdb=" N ALA C3166 " --> pdb=" O ALA C3162 " (cutoff:3.500A) Processing helix chain 'C' and resid 3170 through 3182 removed outlier: 3.951A pdb=" N THR C3174 " --> pdb=" O ALA C3170 " (cutoff:3.500A) removed outlier: 5.813A pdb=" N LYS C3178 " --> pdb=" O THR C3174 " (cutoff:3.500A) removed outlier: 6.382A pdb=" N HIS C3179 " --> pdb=" O HIS C3175 " (cutoff:3.500A) removed outlier: 5.735A pdb=" N ASN C3180 " --> pdb=" O LEU C3176 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N ILE C3181 " --> pdb=" O ASP C3177 " (cutoff:3.500A) Processing helix chain 'C' and resid 3613 through 3629 Processing helix chain 'C' and resid 3637 through 3647 removed outlier: 4.295A pdb=" N LYS C3647 " --> pdb=" O GLU C3643 " (cutoff:3.500A) Processing helix chain 'C' and resid 3663 through 3678 Processing helix chain 'C' and resid 3686 through 3700 removed outlier: 3.748A pdb=" N MET C3690 " --> pdb=" O ASP C3686 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N CYS C3700 " --> pdb=" O MET C3696 " (cutoff:3.500A) Processing helix chain 'C' and resid 3714 through 3734 Processing helix chain 'C' and resid 3736 through 3749 removed outlier: 4.245A pdb=" N MET C3740 " --> pdb=" O GLY C3736 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL C3741 " --> pdb=" O ALA C3737 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N LYS C3749 " --> pdb=" O ILE C3745 " (cutoff:3.500A) Processing helix chain 'C' and resid 3753 through 3768 removed outlier: 3.665A pdb=" N ALA C3757 " --> pdb=" O GLY C3753 " (cutoff:3.500A) Processing helix chain 'C' and resid 3771 through 3786 removed outlier: 3.963A pdb=" N LYS C3785 " --> pdb=" O TYR C3781 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N LYS C3786 " --> pdb=" O LEU C3782 " (cutoff:3.500A) Processing helix chain 'C' and resid 3787 through 3801 removed outlier: 3.882A pdb=" N PHE C3791 " --> pdb=" O ASP C3787 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N SER C3800 " --> pdb=" O GLY C3796 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N CYS C3801 " --> pdb=" O LEU C3797 " (cutoff:3.500A) Processing helix chain 'C' and resid 3805 through 3816 removed outlier: 3.667A pdb=" N PHE C3809 " --> pdb=" O ASP C3805 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N GLU C3816 " --> pdb=" O GLN C3812 " (cutoff:3.500A) Processing helix chain 'C' and resid 3834 through 3849 removed outlier: 3.766A pdb=" N CYS C3848 " --> pdb=" O LEU C3844 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLU C3849 " --> pdb=" O GLN C3845 " (cutoff:3.500A) Processing helix chain 'C' and resid 3852 through 3862 Processing helix chain 'C' and resid 3870 through 3895 removed outlier: 3.555A pdb=" N SER C3874 " --> pdb=" O ASN C3870 " (cutoff:3.500A) removed outlier: 4.614A pdb=" N GLY C3895 " --> pdb=" O TRP C3891 " (cutoff:3.500A) Processing helix chain 'C' and resid 3900 through 3926 Processing helix chain 'C' and resid 3929 through 3939 Processing helix chain 'C' and resid 3940 through 3956 removed outlier: 5.020A pdb=" N ALA C3944 " --> pdb=" O ARG C3940 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N HIS C3954 " --> pdb=" O HIS C3950 " (cutoff:3.500A) Processing helix chain 'C' and resid 3963 through 3988 removed outlier: 4.382A pdb=" N GLU C3967 " --> pdb=" O SER C3963 " (cutoff:3.500A) removed outlier: 4.434A pdb=" N LEU C3968 " --> pdb=" O SER C3964 " (cutoff:3.500A) Processing helix chain 'C' and resid 3994 through 4008 Processing helix chain 'C' and resid 4009 through 4029 removed outlier: 3.920A pdb=" N MET C4013 " --> pdb=" O ASN C4009 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ILE C4014 " --> pdb=" O ASN C4010 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N THR C4028 " --> pdb=" O LEU C4024 " (cutoff:3.500A) removed outlier: 5.001A pdb=" N SER C4029 " --> pdb=" O LYS C4025 " (cutoff:3.500A) Processing helix chain 'C' and resid 4033 through 4038 removed outlier: 3.765A pdb=" N ASP C4037 " --> pdb=" O PHE C4033 " (cutoff:3.500A) Proline residue: C4038 - end of helix No H-bonds generated for 'chain 'C' and resid 4033 through 4038' Processing helix chain 'C' and resid 4045 through 4057 Processing helix chain 'C' and resid 4060 through 4072 removed outlier: 4.572A pdb=" N GLU C4072 " --> pdb=" O LEU C4068 " (cutoff:3.500A) Processing helix chain 'C' and resid 4087 through 4110 Proline residue: C4091 - end of helix Processing helix chain 'C' and resid 4114 through 4123 removed outlier: 4.791A pdb=" N ALA C4123 " --> pdb=" O PHE C4119 " (cutoff:3.500A) Processing helix chain 'C' and resid 4124 through 4131 removed outlier: 4.579A pdb=" N ASN C4128 " --> pdb=" O GLU C4124 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N GLN C4131 " --> pdb=" O LEU C4127 " (cutoff:3.500A) Processing helix chain 'C' and resid 4154 through 4163 removed outlier: 3.932A pdb=" N LYS C4163 " --> pdb=" O THR C4159 " (cutoff:3.500A) Processing helix chain 'C' and resid 4164 through 4180 removed outlier: 7.153A pdb=" N GLU C4168 " --> pdb=" O PRO C4164 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N SER C4169 " --> pdb=" O GLN C4165 " (cutoff:3.500A) Processing helix chain 'C' and resid 4183 through 4206 removed outlier: 5.563A pdb=" N MET C4187 " --> pdb=" O GLU C4183 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N GLU C4188 " --> pdb=" O LYS C4184 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N GLN C4206 " --> pdb=" O GLN C4202 " (cutoff:3.500A) Processing helix chain 'C' and resid 4488 through 4500 removed outlier: 3.622A pdb=" N LEU C4493 " --> pdb=" O GLN C4489 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ASN C4494 " --> pdb=" O GLN C4490 " (cutoff:3.500A) removed outlier: 4.978A pdb=" N TYR C4495 " --> pdb=" O LYS C4491 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N PHE C4496 " --> pdb=" O LEU C4492 " (cutoff:3.500A) removed outlier: 4.141A pdb=" N ALA C4497 " --> pdb=" O LEU C4493 " (cutoff:3.500A) Processing helix chain 'C' and resid 4501 through 4521 removed outlier: 3.821A pdb=" N ALA C4511 " --> pdb=" O ALA C4507 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N PHE C4512 " --> pdb=" O LEU C4508 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N ALA C4513 " --> pdb=" O PHE C4509 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ILE C4517 " --> pdb=" O ALA C4513 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N LEU C4518 " --> pdb=" O ILE C4514 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N LEU C4519 " --> pdb=" O ASN C4515 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N PHE C4520 " --> pdb=" O PHE C4516 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N TYR C4521 " --> pdb=" O ILE C4517 " (cutoff:3.500A) Processing helix chain 'C' and resid 4570 through 4614 removed outlier: 4.276A pdb=" N ILE C4578 " --> pdb=" O ARG C4574 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N THR C4581 " --> pdb=" O ALA C4577 " (cutoff:3.500A) removed outlier: 4.880A pdb=" N VAL C4596 " --> pdb=" O TYR C4592 " (cutoff:3.500A) Proline residue: C4597 - end of helix removed outlier: 5.590A pdb=" N ILE C4600 " --> pdb=" O VAL C4596 " (cutoff:3.500A) Processing helix chain 'C' and resid 4626 through 4636 removed outlier: 3.535A pdb=" N ASP C4632 " --> pdb=" O LYS C4628 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N LEU C4634 " --> pdb=" O GLN C4630 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N VAL C4635 " --> pdb=" O TRP C4631 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ILE C4636 " --> pdb=" O ASP C4632 " (cutoff:3.500A) Processing helix chain 'C' and resid 4648 through 4659 removed outlier: 4.042A pdb=" N ARG C4652 " --> pdb=" O LYS C4648 " (cutoff:3.500A) Processing helix chain 'C' and resid 4664 through 4672 Processing helix chain 'C' and resid 4704 through 4717 removed outlier: 4.064A pdb=" N THR C4716 " --> pdb=" O GLY C4712 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N ASP C4717 " --> pdb=" O VAL C4713 " (cutoff:3.500A) Processing helix chain 'C' and resid 4718 through 4736 removed outlier: 4.365A pdb=" N LEU C4732 " --> pdb=" O THR C4728 " (cutoff:3.500A) removed outlier: 5.206A pdb=" N GLY C4733 " --> pdb=" O MET C4729 " (cutoff:3.500A) removed outlier: 5.298A pdb=" N HIS C4734 " --> pdb=" O SER C4730 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N TYR C4735 " --> pdb=" O VAL C4731 " (cutoff:3.500A) Processing helix chain 'C' and resid 4744 through 4751 removed outlier: 5.087A pdb=" N ALA C4748 " --> pdb=" O LEU C4744 " (cutoff:3.500A) removed outlier: 4.421A pdb=" N MET C4749 " --> pdb=" O LEU C4745 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N PHE C4751 " --> pdb=" O ILE C4747 " (cutoff:3.500A) Processing helix chain 'C' and resid 4753 through 4766 removed outlier: 4.786A pdb=" N ILE C4757 " --> pdb=" O THR C4753 " (cutoff:3.500A) removed outlier: 5.146A pdb=" N ASN C4764 " --> pdb=" O SER C4760 " (cutoff:3.500A) removed outlier: 5.026A pdb=" N LYS C4766 " --> pdb=" O THR C4762 " (cutoff:3.500A) Processing helix chain 'C' and resid 4767 through 4790 removed outlier: 4.183A pdb=" N VAL C4784 " --> pdb=" O TYR C4780 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N VAL C4785 " --> pdb=" O LEU C4781 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N ALA C4786 " --> pdb=" O TYR C4782 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N PHE C4787 " --> pdb=" O THR C4783 " (cutoff:3.500A) Processing helix chain 'C' and resid 4809 through 4824 removed outlier: 4.147A pdb=" N VAL C4822 " --> pdb=" O MET C4818 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ARG C4823 " --> pdb=" O TYR C4819 " (cutoff:3.500A) Processing helix chain 'C' and resid 4827 through 4833 removed outlier: 4.102A pdb=" N GLU C4831 " --> pdb=" O GLY C4827 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ILE C4832 " --> pdb=" O ILE C4828 " (cutoff:3.500A) removed outlier: 5.533A pdb=" N GLU C4833 " --> pdb=" O GLY C4829 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 4827 through 4833' Processing helix chain 'C' and resid 4840 through 4855 Processing helix chain 'C' and resid 4858 through 4887 Processing helix chain 'C' and resid 4895 through 4901 Processing helix chain 'C' and resid 4904 through 4913 removed outlier: 4.529A pdb=" N THR C4908 " --> pdb=" O HIS C4904 " (cutoff:3.500A) Processing helix chain 'C' and resid 4915 through 4930 removed outlier: 4.367A pdb=" N TYR C4919 " --> pdb=" O ASN C4915 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N LEU C4920 " --> pdb=" O LEU C4916 " (cutoff:3.500A) removed outlier: 5.028A pdb=" N ASP C4930 " --> pdb=" O LEU C4926 " (cutoff:3.500A) Processing helix chain 'C' and resid 4935 through 4948 Processing helix chain 'C' and resid 4958 through 4964 removed outlier: 4.940A pdb=" N GLU C4964 " --> pdb=" O ARG C4960 " (cutoff:3.500A) Processing helix chain 'C' and resid 219 through 224 removed outlier: 5.712A pdb=" N GLU C 222 " --> pdb=" O SER C 219 " (cutoff:3.500A) removed outlier: 7.961A pdb=" N ALA C 223 " --> pdb=" O GLY C 220 " (cutoff:3.500A) removed outlier: 5.664A pdb=" N ALA C 224 " --> pdb=" O SER C 221 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 219 through 224' Processing helix chain 'C' and resid 2482 through 2488 removed outlier: 5.040A pdb=" N LEU C2485 " --> pdb=" O GLN C2482 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU C2486 " --> pdb=" O ASP C2483 " (cutoff:3.500A) Processing helix chain 'C' and resid 54 through 59 Proline residue: C 59 - end of helix No H-bonds generated for 'chain 'C' and resid 54 through 59' Processing helix chain 'C' and resid 4615 through 4620 Processing helix chain 'E' and resid 61 through 66 removed outlier: 5.187A pdb=" N CYS E 65 " --> pdb=" O ASP E 61 " (cutoff:3.500A) Processing helix chain 'E' and resid 74 through 85 removed outlier: 4.102A pdb=" N GLN E 79 " --> pdb=" O VAL E 75 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N GLU E 80 " --> pdb=" O ARG E 76 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N MET E 81 " --> pdb=" O ALA E 77 " (cutoff:3.500A) removed outlier: 4.780A pdb=" N THR E 85 " --> pdb=" O MET E 81 " (cutoff:3.500A) Processing helix chain 'E' and resid 100 through 106 removed outlier: 4.573A pdb=" N THR E 104 " --> pdb=" O PHE E 100 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N ALA E 105 " --> pdb=" O MET E 101 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLN E 106 " --> pdb=" O MET E 102 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 100 through 106' Processing helix chain 'E' and resid 155 through 160 removed outlier: 4.001A pdb=" N TRP E 159 " --> pdb=" O GLY E 155 " (cutoff:3.500A) removed outlier: 5.082A pdb=" N TRP E 160 " --> pdb=" O GLU E 156 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 155 through 160' Processing helix chain 'E' and resid 266 through 271 removed outlier: 4.453A pdb=" N ALA E 271 " --> pdb=" O VAL E 267 " (cutoff:3.500A) Processing helix chain 'E' and resid 318 through 323 removed outlier: 3.610A pdb=" N ALA E 322 " --> pdb=" O ASP E 318 " (cutoff:3.500A) removed outlier: 5.242A pdb=" N ASP E 323 " --> pdb=" O LYS E 319 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 318 through 323' Processing helix chain 'E' and resid 409 through 439 removed outlier: 3.913A pdb=" N ARG E 428 " --> pdb=" O PHE E 424 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N LEU E 436 " --> pdb=" O GLY E 432 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LYS E 438 " --> pdb=" O ASP E 434 " (cutoff:3.500A) Processing helix chain 'E' and resid 448 through 464 removed outlier: 5.168A pdb=" N VAL E 452 " --> pdb=" O PRO E 448 " (cutoff:3.500A) Processing helix chain 'E' and resid 471 through 493 Processing helix chain 'E' and resid 494 through 506 Processing helix chain 'E' and resid 519 through 543 removed outlier: 5.373A pdb=" N SER E 525 " --> pdb=" O GLU E 521 " (cutoff:3.500A) removed outlier: 5.658A pdb=" N TRP E 526 " --> pdb=" O ALA E 522 " (cutoff:3.500A) removed outlier: 5.936A pdb=" N LYS E 527 " --> pdb=" O GLY E 523 " (cutoff:3.500A) removed outlier: 5.757A pdb=" N SER E 528 " --> pdb=" O GLU E 524 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N LEU E 540 " --> pdb=" O LEU E 536 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N ILE E 541 " --> pdb=" O LEU E 537 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N ARG E 542 " --> pdb=" O ALA E 538 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N GLY E 543 " --> pdb=" O ALA E 539 " (cutoff:3.500A) Processing helix chain 'E' and resid 544 through 550 removed outlier: 4.697A pdb=" N GLN E 550 " --> pdb=" O LYS E 546 " (cutoff:3.500A) Processing helix chain 'E' and resid 551 through 562 removed outlier: 3.761A pdb=" N ASP E 556 " --> pdb=" O SER E 552 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N TRP E 557 " --> pdb=" O GLY E 553 " (cutoff:3.500A) Processing helix chain 'E' and resid 567 through 582 removed outlier: 3.594A pdb=" N ILE E 571 " --> pdb=" O ALA E 567 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N GLU E 581 " --> pdb=" O CYS E 577 " (cutoff:3.500A) Processing helix chain 'E' and resid 583 through 589 removed outlier: 3.696A pdb=" N ILE E 589 " --> pdb=" O ALA E 585 " (cutoff:3.500A) Processing helix chain 'E' and resid 590 through 605 removed outlier: 3.630A pdb=" N ILE E 594 " --> pdb=" O LYS E 590 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ASP E 602 " --> pdb=" O ILE E 598 " (cutoff:3.500A) Processing helix chain 'E' and resid 607 through 620 removed outlier: 3.788A pdb=" N LEU E 611 " --> pdb=" O ASN E 607 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N VAL E 619 " --> pdb=" O CYS E 615 " (cutoff:3.500A) removed outlier: 4.590A pdb=" N CYS E 620 " --> pdb=" O SER E 616 " (cutoff:3.500A) Processing helix chain 'E' and resid 625 through 640 Proline residue: E 638 - end of helix Processing helix chain 'E' and resid 821 through 827 removed outlier: 4.986A pdb=" N LEU E 827 " --> pdb=" O TYR E 823 " (cutoff:3.500A) Processing helix chain 'E' and resid 875 through 901 removed outlier: 3.750A pdb=" N GLU E 879 " --> pdb=" O PRO E 875 " (cutoff:3.500A) removed outlier: 5.747A pdb=" N ARG E 880 " --> pdb=" O PRO E 876 " (cutoff:3.500A) removed outlier: 5.301A pdb=" N ILE E 881 " --> pdb=" O HIS E 877 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N LEU E 900 " --> pdb=" O ASN E 896 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N GLY E 901 " --> pdb=" O LYS E 897 " (cutoff:3.500A) Processing helix chain 'E' and resid 920 through 925 Proline residue: E 925 - end of helix Processing helix chain 'E' and resid 929 through 947 removed outlier: 3.924A pdb=" N SER E 936 " --> pdb=" O ASN E 932 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N LEU E 937 " --> pdb=" O LEU E 933 " (cutoff:3.500A) Processing helix chain 'E' and resid 989 through 1012 Processing helix chain 'E' and resid 1034 through 1039 removed outlier: 4.909A pdb=" N ASP E1039 " --> pdb=" O TYR E1035 " (cutoff:3.500A) Processing helix chain 'E' and resid 1040 through 1061 removed outlier: 4.739A pdb=" N SER E1045 " --> pdb=" O ARG E1041 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LYS E1047 " --> pdb=" O LYS E1043 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N SER E1049 " --> pdb=" O SER E1045 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N THR E1056 " --> pdb=" O GLU E1052 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N LEU E1057 " --> pdb=" O ALA E1053 " (cutoff:3.500A) removed outlier: 4.474A pdb=" N GLY E1061 " --> pdb=" O LEU E1057 " (cutoff:3.500A) Processing helix chain 'E' and resid 1224 through 1230 removed outlier: 3.688A pdb=" N ILE E1229 " --> pdb=" O LYS E1225 " (cutoff:3.500A) Processing helix chain 'E' and resid 1570 through 1576 removed outlier: 4.206A pdb=" N GLU E1574 " --> pdb=" O LEU E1570 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LYS E1576 " --> pdb=" O LYS E1572 " (cutoff:3.500A) Processing helix chain 'E' and resid 1643 through 1648 removed outlier: 4.698A pdb=" N GLN E1647 " --> pdb=" O GLU E1643 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU E1648 " --> pdb=" O LEU E1644 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 1643 through 1648' Processing helix chain 'E' and resid 1649 through 1666 removed outlier: 4.100A pdb=" N ALA E1666 " --> pdb=" O SER E1662 " (cutoff:3.500A) Processing helix chain 'E' and resid 1669 through 1680 removed outlier: 3.953A pdb=" N HIS E1674 " --> pdb=" O HIS E1670 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N CYS E1677 " --> pdb=" O ALA E1673 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N SER E1678 " --> pdb=" O HIS E1674 " (cutoff:3.500A) removed outlier: 4.681A pdb=" N HIS E1679 " --> pdb=" O ALA E1675 " (cutoff:3.500A) Processing helix chain 'E' and resid 1681 through 1692 removed outlier: 5.744A pdb=" N LYS E1692 " --> pdb=" O ALA E1688 " (cutoff:3.500A) Processing helix chain 'E' and resid 1695 through 1710 removed outlier: 3.642A pdb=" N LEU E1706 " --> pdb=" O TYR E1702 " (cutoff:3.500A) removed outlier: 4.179A pdb=" N ILE E1707 " --> pdb=" O TYR E1703 " (cutoff:3.500A) Processing helix chain 'E' and resid 1711 through 1722 Processing helix chain 'E' and resid 1730 through 1736 removed outlier: 4.311A pdb=" N ILE E1736 " --> pdb=" O GLU E1732 " (cutoff:3.500A) Processing helix chain 'E' and resid 1773 through 1778 removed outlier: 5.909A pdb=" N GLN E1777 " --> pdb=" O ASN E1773 " (cutoff:3.500A) removed outlier: 6.312A pdb=" N TYR E1778 " --> pdb=" O GLU E1774 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 1773 through 1778' Processing helix chain 'E' and resid 1783 through 1805 removed outlier: 3.511A pdb=" N SER E1803 " --> pdb=" O VAL E1799 " (cutoff:3.500A) Processing helix chain 'E' and resid 1813 through 1832 Proline residue: E1820 - end of helix removed outlier: 3.825A pdb=" N GLY E1832 " --> pdb=" O LEU E1828 " (cutoff:3.500A) Processing helix chain 'E' and resid 1835 through 1847 removed outlier: 4.277A pdb=" N LEU E1839 " --> pdb=" O HIS E1835 " (cutoff:3.500A) Processing helix chain 'E' and resid 1900 through 1945 removed outlier: 4.573A pdb=" N LEU E1909 " --> pdb=" O LEU E1905 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N LEU E1910 " --> pdb=" O GLN E1906 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N LEU E1911 " --> pdb=" O MET E1907 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ASP E1932 " --> pdb=" O ALA E1928 " (cutoff:3.500A) removed outlier: 5.458A pdb=" N ALA E1935 " --> pdb=" O ASP E1931 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N LYS E1936 " --> pdb=" O ASP E1932 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N LEU E1937 " --> pdb=" O PHE E1933 " (cutoff:3.500A) Processing helix chain 'E' and resid 1995 through 2001 removed outlier: 6.954A pdb=" N ASP E1999 " --> pdb=" O ASP E1995 " (cutoff:3.500A) removed outlier: 8.096A pdb=" N PHE E2000 " --> pdb=" O GLN E1996 " (cutoff:3.500A) removed outlier: 7.484A pdb=" N HIS E2001 " --> pdb=" O LEU E1997 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 1995 through 2001' Processing helix chain 'E' and resid 2002 through 2012 Processing helix chain 'E' and resid 2024 through 2039 removed outlier: 3.951A pdb=" N GLY E2028 " --> pdb=" O LEU E2024 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N LEU E2030 " --> pdb=" O ILE E2026 " (cutoff:3.500A) removed outlier: 4.628A pdb=" N TYR E2039 " --> pdb=" O GLU E2035 " (cutoff:3.500A) Processing helix chain 'E' and resid 2059 through 2073 removed outlier: 3.980A pdb=" N MET E2067 " --> pdb=" O ILE E2063 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N VAL E2068 " --> pdb=" O SER E2064 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N ARG E2069 " --> pdb=" O GLU E2065 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N TRP E2070 " --> pdb=" O THR E2066 " (cutoff:3.500A) Processing helix chain 'E' and resid 2078 through 2095 removed outlier: 3.766A pdb=" N VAL E2082 " --> pdb=" O ASP E2078 " (cutoff:3.500A) Processing helix chain 'E' and resid 2096 through 2106 removed outlier: 3.929A pdb=" N LEU E2103 " --> pdb=" O LEU E2099 " (cutoff:3.500A) Proline residue: E2104 - end of helix Processing helix chain 'E' and resid 2113 through 2134 removed outlier: 3.829A pdb=" N THR E2117 " --> pdb=" O SER E2113 " (cutoff:3.500A) removed outlier: 4.598A pdb=" N SER E2132 " --> pdb=" O ARG E2128 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N VAL E2133 " --> pdb=" O SER E2129 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N ARG E2134 " --> pdb=" O LEU E2130 " (cutoff:3.500A) Processing helix chain 'E' and resid 2137 through 2153 removed outlier: 4.849A pdb=" N LYS E2141 " --> pdb=" O LYS E2137 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LEU E2142 " --> pdb=" O GLU E2138 " (cutoff:3.500A) Processing helix chain 'E' and resid 2154 through 2160 removed outlier: 4.817A pdb=" N GLN E2158 " --> pdb=" O LYS E2154 " (cutoff:3.500A) removed outlier: 5.228A pdb=" N HIS E2159 " --> pdb=" O VAL E2155 " (cutoff:3.500A) Proline residue: E2160 - end of helix No H-bonds generated for 'chain 'E' and resid 2154 through 2160' Processing helix chain 'E' and resid 2161 through 2167 Processing helix chain 'E' and resid 2168 through 2181 removed outlier: 4.341A pdb=" N GLY E2181 " --> pdb=" O VAL E2177 " (cutoff:3.500A) Processing helix chain 'E' and resid 2192 through 2209 removed outlier: 4.031A pdb=" N ILE E2207 " --> pdb=" O TYR E2203 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N SER E2208 " --> pdb=" O PHE E2204 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N ARG E2209 " --> pdb=" O CYS E2205 " (cutoff:3.500A) Processing helix chain 'E' and resid 2210 through 2219 removed outlier: 3.965A pdb=" N ASP E2217 " --> pdb=" O LYS E2213 " (cutoff:3.500A) removed outlier: 5.135A pdb=" N HIS E2218 " --> pdb=" O ALA E2214 " (cutoff:3.500A) removed outlier: 5.094A pdb=" N LEU E2219 " --> pdb=" O MET E2215 " (cutoff:3.500A) Processing helix chain 'E' and resid 2220 through 2227 removed outlier: 4.027A pdb=" N GLU E2224 " --> pdb=" O SER E2220 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N SER E2227 " --> pdb=" O LEU E2223 " (cutoff:3.500A) Processing helix chain 'E' and resid 2239 through 2249 removed outlier: 3.903A pdb=" N VAL E2248 " --> pdb=" O ALA E2244 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N MET E2249 " --> pdb=" O ALA E2245 " (cutoff:3.500A) Processing helix chain 'E' and resid 2251 through 2258 Processing helix chain 'E' and resid 2260 through 2271 removed outlier: 3.732A pdb=" N LEU E2270 " --> pdb=" O VAL E2266 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ALA E2271 " --> pdb=" O VAL E2267 " (cutoff:3.500A) Processing helix chain 'E' and resid 2296 through 2308 removed outlier: 4.399A pdb=" N LEU E2300 " --> pdb=" O GLY E2296 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N ASP E2301 " --> pdb=" O GLU E2297 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N PHE E2302 " --> pdb=" O ARG E2298 " (cutoff:3.500A) removed outlier: 3.864A pdb=" N PHE E2305 " --> pdb=" O ASP E2301 " (cutoff:3.500A) Processing helix chain 'E' and resid 2314 through 2326 removed outlier: 4.661A pdb=" N ALA E2318 " --> pdb=" O VAL E2314 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N ARG E2323 " --> pdb=" O ASN E2319 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N ILE E2326 " --> pdb=" O VAL E2322 " (cutoff:3.500A) Processing helix chain 'E' and resid 2343 through 2349 removed outlier: 3.819A pdb=" N ALA E2347 " --> pdb=" O GLY E2343 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N MET E2348 " --> pdb=" O LEU E2344 " (cutoff:3.500A) removed outlier: 5.198A pdb=" N GLU E2349 " --> pdb=" O LEU E2345 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 2343 through 2349' Processing helix chain 'E' and resid 2388 through 2402 removed outlier: 3.912A pdb=" N LEU E2396 " --> pdb=" O PHE E2392 " (cutoff:3.500A) removed outlier: 4.440A pdb=" N ARG E2402 " --> pdb=" O ASP E2398 " (cutoff:3.500A) Processing helix chain 'E' and resid 2418 through 2426 removed outlier: 5.077A pdb=" N SER E2422 " --> pdb=" O ILE E2418 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N ILE E2423 " --> pdb=" O ARG E2419 " (cutoff:3.500A) Processing helix chain 'E' and resid 2433 through 2440 removed outlier: 4.046A pdb=" N ILE E2437 " --> pdb=" O LEU E2433 " (cutoff:3.500A) removed outlier: 4.863A pdb=" N ILE E2439 " --> pdb=" O GLY E2435 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N ALA E2440 " --> pdb=" O VAL E2436 " (cutoff:3.500A) Processing helix chain 'E' and resid 2461 through 2477 removed outlier: 4.412A pdb=" N LYS E2466 " --> pdb=" O CYS E2462 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ALA E2467 " --> pdb=" O PRO E2463 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N ALA E2468 " --> pdb=" O ASP E2464 " (cutoff:3.500A) Processing helix chain 'E' and resid 2492 through 2499 removed outlier: 3.753A pdb=" N ASP E2496 " --> pdb=" O GLY E2492 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG E2498 " --> pdb=" O LEU E2494 " (cutoff:3.500A) Processing helix chain 'E' and resid 2511 through 2527 removed outlier: 4.094A pdb=" N ASN E2518 " --> pdb=" O ALA E2514 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N LEU E2521 " --> pdb=" O LEU E2517 " (cutoff:3.500A) removed outlier: 5.167A pdb=" N CYS E2522 " --> pdb=" O ASN E2518 " (cutoff:3.500A) removed outlier: 4.760A pdb=" N THR E2523 " --> pdb=" O ARG E2519 " (cutoff:3.500A) Proline residue: E2527 - end of helix Processing helix chain 'E' and resid 2536 through 2553 removed outlier: 4.455A pdb=" N GLU E2540 " --> pdb=" O PHE E2536 " (cutoff:3.500A) Processing helix chain 'E' and resid 2559 through 2576 removed outlier: 3.793A pdb=" N ARG E2567 " --> pdb=" O THR E2563 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ASP E2568 " --> pdb=" O LYS E2564 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N ILE E2570 " --> pdb=" O GLN E2566 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N GLU E2571 " --> pdb=" O ARG E2567 " (cutoff:3.500A) removed outlier: 4.726A pdb=" N SER E2576 " --> pdb=" O VAL E2572 " (cutoff:3.500A) Processing helix chain 'E' and resid 2582 through 2594 removed outlier: 4.020A pdb=" N LEU E2593 " --> pdb=" O LEU E2589 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N VAL E2594 " --> pdb=" O LEU E2590 " (cutoff:3.500A) Processing helix chain 'E' and resid 2596 through 2601 removed outlier: 4.332A pdb=" N LEU E2600 " --> pdb=" O ASP E2596 " (cutoff:3.500A) removed outlier: 4.250A pdb=" N ASN E2601 " --> pdb=" O VAL E2597 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 2596 through 2601' Processing helix chain 'E' and resid 2605 through 2624 removed outlier: 4.760A pdb=" N LEU E2610 " --> pdb=" O MET E2606 " (cutoff:3.500A) removed outlier: 5.009A pdb=" N LEU E2611 " --> pdb=" O PRO E2607 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N GLU E2616 " --> pdb=" O THR E2612 " (cutoff:3.500A) removed outlier: 5.021A pdb=" N ARG E2617 " --> pdb=" O ASN E2613 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N CYS E2618 " --> pdb=" O HIS E2614 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N LEU E2624 " --> pdb=" O LYS E2620 " (cutoff:3.500A) Processing helix chain 'E' and resid 2634 through 2653 removed outlier: 4.372A pdb=" N LEU E2653 " --> pdb=" O ILE E2649 " (cutoff:3.500A) Processing helix chain 'E' and resid 2658 through 2679 removed outlier: 4.023A pdb=" N LEU E2665 " --> pdb=" O GLU E2661 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ALA E2666 " --> pdb=" O LEU E2662 " (cutoff:3.500A) Proline residue: E2668 - end of helix Proline residue: E2678 - end of helix Processing helix chain 'E' and resid 2715 through 2741 removed outlier: 4.769A pdb=" N GLU E2719 " --> pdb=" O PRO E2715 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N TYR E2720 " --> pdb=" O GLU E2716 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N ASN E2740 " --> pdb=" O ASP E2736 " (cutoff:3.500A) Processing helix chain 'E' and resid 2768 through 2786 removed outlier: 4.576A pdb=" N TYR E2772 " --> pdb=" O GLU E2768 " (cutoff:3.500A) Proline residue: E2775 - end of helix removed outlier: 3.769A pdb=" N LYS E2781 " --> pdb=" O LYS E2777 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N THR E2782 " --> pdb=" O GLU E2778 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N LEU E2784 " --> pdb=" O LEU E2780 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ALA E2785 " --> pdb=" O LYS E2781 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N TRP E2786 " --> pdb=" O THR E2782 " (cutoff:3.500A) Processing helix chain 'E' and resid 2835 through 2865 removed outlier: 4.446A pdb=" N MET E2841 " --> pdb=" O ASP E2837 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N SER E2863 " --> pdb=" O LEU E2859 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N LYS E2864 " --> pdb=" O GLU E2860 " (cutoff:3.500A) removed outlier: 4.215A pdb=" N GLY E2865 " --> pdb=" O LEU E2861 " (cutoff:3.500A) Processing helix chain 'E' and resid 2880 through 2901 removed outlier: 3.863A pdb=" N GLU E2888 " --> pdb=" O ALA E2884 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LYS E2889 " --> pdb=" O LYS E2885 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N ALA E2890 " --> pdb=" O ASP E2886 " (cutoff:3.500A) Processing helix chain 'E' and resid 2987 through 3004 removed outlier: 4.130A pdb=" N LEU E2991 " --> pdb=" O ALA E2987 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N SER E2998 " --> pdb=" O GLY E2994 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N LYS E3000 " --> pdb=" O HIS E2996 " (cutoff:3.500A) removed outlier: 4.962A pdb=" N GLU E3001 " --> pdb=" O ALA E2997 " (cutoff:3.500A) removed outlier: 4.192A pdb=" N LYS E3002 " --> pdb=" O SER E2998 " (cutoff:3.500A) removed outlier: 4.686A pdb=" N GLU E3003 " --> pdb=" O ASN E2999 " (cutoff:3.500A) removed outlier: 5.702A pdb=" N MET E3004 " --> pdb=" O LYS E3000 " (cutoff:3.500A) Processing helix chain 'E' and resid 3009 through 3028 Processing helix chain 'E' and resid 3034 through 3052 Processing helix chain 'E' and resid 3065 through 3082 removed outlier: 4.064A pdb=" N LEU E3069 " --> pdb=" O ALA E3065 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLU E3070 " --> pdb=" O ALA E3066 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N THR E3072 " --> pdb=" O ASP E3068 " (cutoff:3.500A) removed outlier: 4.423A pdb=" N MET E3073 " --> pdb=" O LEU E3069 " (cutoff:3.500A) Processing helix chain 'E' and resid 3100 through 3107 Proline residue: E3104 - end of helix Processing helix chain 'E' and resid 3108 through 3113 Processing helix chain 'E' and resid 3125 through 3144 removed outlier: 4.739A pdb=" N VAL E3129 " --> pdb=" O GLU E3125 " (cutoff:3.500A) removed outlier: 4.701A pdb=" N SER E3130 " --> pdb=" O ASP E3126 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N CYS E3131 " --> pdb=" O VAL E3127 " (cutoff:3.500A) removed outlier: 4.633A pdb=" N ILE E3134 " --> pdb=" O SER E3130 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N LEU E3135 " --> pdb=" O CYS E3131 " (cutoff:3.500A) removed outlier: 4.682A pdb=" N THR E3136 " --> pdb=" O TYR E3132 " (cutoff:3.500A) removed outlier: 4.442A pdb=" N SER E3137 " --> pdb=" O ARG E3133 " (cutoff:3.500A) removed outlier: 4.920A pdb=" N TYR E3139 " --> pdb=" O LEU E3135 " (cutoff:3.500A) removed outlier: 5.071A pdb=" N ALA E3140 " --> pdb=" O THR E3136 " (cutoff:3.500A) Processing helix chain 'E' and resid 3149 through 3166 removed outlier: 3.659A pdb=" N ARG E3153 " --> pdb=" O VAL E3149 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ALA E3155 " --> pdb=" O ARG E3151 " (cutoff:3.500A) removed outlier: 4.365A pdb=" N LEU E3160 " --> pdb=" O LEU E3156 " (cutoff:3.500A) removed outlier: 4.785A pdb=" N ALA E3161 " --> pdb=" O GLY E3157 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N GLY E3165 " --> pdb=" O ALA E3161 " (cutoff:3.500A) removed outlier: 5.438A pdb=" N ALA E3166 " --> pdb=" O ALA E3162 " (cutoff:3.500A) Processing helix chain 'E' and resid 3170 through 3182 removed outlier: 3.951A pdb=" N THR E3174 " --> pdb=" O ALA E3170 " (cutoff:3.500A) removed outlier: 5.813A pdb=" N LYS E3178 " --> pdb=" O THR E3174 " (cutoff:3.500A) removed outlier: 6.381A pdb=" N HIS E3179 " --> pdb=" O HIS E3175 " (cutoff:3.500A) removed outlier: 5.734A pdb=" N ASN E3180 " --> pdb=" O LEU E3176 " (cutoff:3.500A) removed outlier: 4.041A pdb=" N ILE E3181 " --> pdb=" O ASP E3177 " (cutoff:3.500A) Processing helix chain 'E' and resid 3613 through 3629 Processing helix chain 'E' and resid 3637 through 3647 removed outlier: 4.296A pdb=" N LYS E3647 " --> pdb=" O GLU E3643 " (cutoff:3.500A) Processing helix chain 'E' and resid 3663 through 3678 Processing helix chain 'E' and resid 3686 through 3700 removed outlier: 3.748A pdb=" N MET E3690 " --> pdb=" O ASP E3686 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N CYS E3700 " --> pdb=" O MET E3696 " (cutoff:3.500A) Processing helix chain 'E' and resid 3714 through 3734 Processing helix chain 'E' and resid 3736 through 3749 removed outlier: 4.244A pdb=" N MET E3740 " --> pdb=" O GLY E3736 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL E3741 " --> pdb=" O ALA E3737 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N LYS E3749 " --> pdb=" O ILE E3745 " (cutoff:3.500A) Processing helix chain 'E' and resid 3753 through 3768 removed outlier: 3.665A pdb=" N ALA E3757 " --> pdb=" O GLY E3753 " (cutoff:3.500A) Processing helix chain 'E' and resid 3771 through 3786 removed outlier: 3.963A pdb=" N LYS E3785 " --> pdb=" O TYR E3781 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N LYS E3786 " --> pdb=" O LEU E3782 " (cutoff:3.500A) Processing helix chain 'E' and resid 3787 through 3801 removed outlier: 3.882A pdb=" N PHE E3791 " --> pdb=" O ASP E3787 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N SER E3800 " --> pdb=" O GLY E3796 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N CYS E3801 " --> pdb=" O LEU E3797 " (cutoff:3.500A) Processing helix chain 'E' and resid 3805 through 3816 removed outlier: 3.666A pdb=" N PHE E3809 " --> pdb=" O ASP E3805 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N GLU E3816 " --> pdb=" O GLN E3812 " (cutoff:3.500A) Processing helix chain 'E' and resid 3834 through 3849 removed outlier: 3.766A pdb=" N CYS E3848 " --> pdb=" O LEU E3844 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N GLU E3849 " --> pdb=" O GLN E3845 " (cutoff:3.500A) Processing helix chain 'E' and resid 3852 through 3862 Processing helix chain 'E' and resid 3870 through 3895 removed outlier: 3.555A pdb=" N SER E3874 " --> pdb=" O ASN E3870 " (cutoff:3.500A) removed outlier: 4.614A pdb=" N GLY E3895 " --> pdb=" O TRP E3891 " (cutoff:3.500A) Processing helix chain 'E' and resid 3900 through 3926 Processing helix chain 'E' and resid 3929 through 3939 Processing helix chain 'E' and resid 3940 through 3956 removed outlier: 5.019A pdb=" N ALA E3944 " --> pdb=" O ARG E3940 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N HIS E3954 " --> pdb=" O HIS E3950 " (cutoff:3.500A) Processing helix chain 'E' and resid 3963 through 3988 removed outlier: 4.381A pdb=" N GLU E3967 " --> pdb=" O SER E3963 " (cutoff:3.500A) removed outlier: 4.434A pdb=" N LEU E3968 " --> pdb=" O SER E3964 " (cutoff:3.500A) Processing helix chain 'E' and resid 3994 through 4008 Processing helix chain 'E' and resid 4009 through 4029 removed outlier: 3.920A pdb=" N MET E4013 " --> pdb=" O ASN E4009 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ILE E4014 " --> pdb=" O ASN E4010 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N THR E4028 " --> pdb=" O LEU E4024 " (cutoff:3.500A) removed outlier: 5.001A pdb=" N SER E4029 " --> pdb=" O LYS E4025 " (cutoff:3.500A) Processing helix chain 'E' and resid 4033 through 4038 removed outlier: 3.765A pdb=" N ASP E4037 " --> pdb=" O PHE E4033 " (cutoff:3.500A) Proline residue: E4038 - end of helix No H-bonds generated for 'chain 'E' and resid 4033 through 4038' Processing helix chain 'E' and resid 4045 through 4057 Processing helix chain 'E' and resid 4060 through 4072 removed outlier: 4.572A pdb=" N GLU E4072 " --> pdb=" O LEU E4068 " (cutoff:3.500A) Processing helix chain 'E' and resid 4087 through 4110 Proline residue: E4091 - end of helix Processing helix chain 'E' and resid 4114 through 4123 removed outlier: 4.790A pdb=" N ALA E4123 " --> pdb=" O PHE E4119 " (cutoff:3.500A) Processing helix chain 'E' and resid 4124 through 4131 removed outlier: 4.578A pdb=" N ASN E4128 " --> pdb=" O GLU E4124 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N GLN E4131 " --> pdb=" O LEU E4127 " (cutoff:3.500A) Processing helix chain 'E' and resid 4154 through 4163 removed outlier: 3.932A pdb=" N LYS E4163 " --> pdb=" O THR E4159 " (cutoff:3.500A) Processing helix chain 'E' and resid 4164 through 4180 removed outlier: 7.154A pdb=" N GLU E4168 " --> pdb=" O PRO E4164 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N SER E4169 " --> pdb=" O GLN E4165 " (cutoff:3.500A) Processing helix chain 'E' and resid 4183 through 4206 removed outlier: 5.563A pdb=" N MET E4187 " --> pdb=" O GLU E4183 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N GLU E4188 " --> pdb=" O LYS E4184 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N GLN E4206 " --> pdb=" O GLN E4202 " (cutoff:3.500A) Processing helix chain 'E' and resid 4488 through 4500 removed outlier: 3.622A pdb=" N LEU E4493 " --> pdb=" O GLN E4489 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ASN E4494 " --> pdb=" O GLN E4490 " (cutoff:3.500A) removed outlier: 4.978A pdb=" N TYR E4495 " --> pdb=" O LYS E4491 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N PHE E4496 " --> pdb=" O LEU E4492 " (cutoff:3.500A) removed outlier: 4.141A pdb=" N ALA E4497 " --> pdb=" O LEU E4493 " (cutoff:3.500A) Processing helix chain 'E' and resid 4501 through 4521 removed outlier: 3.822A pdb=" N ALA E4511 " --> pdb=" O ALA E4507 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N PHE E4512 " --> pdb=" O LEU E4508 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N ALA E4513 " --> pdb=" O PHE E4509 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ILE E4517 " --> pdb=" O ALA E4513 " (cutoff:3.500A) removed outlier: 4.544A pdb=" N LEU E4518 " --> pdb=" O ILE E4514 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N LEU E4519 " --> pdb=" O ASN E4515 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N PHE E4520 " --> pdb=" O PHE E4516 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N TYR E4521 " --> pdb=" O ILE E4517 " (cutoff:3.500A) Processing helix chain 'E' and resid 4570 through 4614 removed outlier: 4.275A pdb=" N ILE E4578 " --> pdb=" O ARG E4574 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N THR E4581 " --> pdb=" O ALA E4577 " (cutoff:3.500A) removed outlier: 4.880A pdb=" N VAL E4596 " --> pdb=" O TYR E4592 " (cutoff:3.500A) Proline residue: E4597 - end of helix removed outlier: 5.590A pdb=" N ILE E4600 " --> pdb=" O VAL E4596 " (cutoff:3.500A) Processing helix chain 'E' and resid 4626 through 4636 removed outlier: 3.536A pdb=" N ASP E4632 " --> pdb=" O LYS E4628 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N LEU E4634 " --> pdb=" O GLN E4630 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N VAL E4635 " --> pdb=" O TRP E4631 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ILE E4636 " --> pdb=" O ASP E4632 " (cutoff:3.500A) Processing helix chain 'E' and resid 4648 through 4659 removed outlier: 4.041A pdb=" N ARG E4652 " --> pdb=" O LYS E4648 " (cutoff:3.500A) Processing helix chain 'E' and resid 4664 through 4672 Processing helix chain 'E' and resid 4704 through 4717 removed outlier: 4.063A pdb=" N THR E4716 " --> pdb=" O GLY E4712 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N ASP E4717 " --> pdb=" O VAL E4713 " (cutoff:3.500A) Processing helix chain 'E' and resid 4718 through 4736 removed outlier: 4.365A pdb=" N LEU E4732 " --> pdb=" O THR E4728 " (cutoff:3.500A) removed outlier: 5.207A pdb=" N GLY E4733 " --> pdb=" O MET E4729 " (cutoff:3.500A) removed outlier: 5.298A pdb=" N HIS E4734 " --> pdb=" O SER E4730 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N TYR E4735 " --> pdb=" O VAL E4731 " (cutoff:3.500A) Processing helix chain 'E' and resid 4744 through 4751 removed outlier: 5.088A pdb=" N ALA E4748 " --> pdb=" O LEU E4744 " (cutoff:3.500A) removed outlier: 4.421A pdb=" N MET E4749 " --> pdb=" O LEU E4745 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N PHE E4751 " --> pdb=" O ILE E4747 " (cutoff:3.500A) Processing helix chain 'E' and resid 4753 through 4766 removed outlier: 4.786A pdb=" N ILE E4757 " --> pdb=" O THR E4753 " (cutoff:3.500A) removed outlier: 5.147A pdb=" N ASN E4764 " --> pdb=" O SER E4760 " (cutoff:3.500A) removed outlier: 5.026A pdb=" N LYS E4766 " --> pdb=" O THR E4762 " (cutoff:3.500A) Processing helix chain 'E' and resid 4767 through 4790 removed outlier: 4.183A pdb=" N VAL E4784 " --> pdb=" O TYR E4780 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N VAL E4785 " --> pdb=" O LEU E4781 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N ALA E4786 " --> pdb=" O TYR E4782 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N PHE E4787 " --> pdb=" O THR E4783 " (cutoff:3.500A) Processing helix chain 'E' and resid 4809 through 4824 removed outlier: 4.147A pdb=" N VAL E4822 " --> pdb=" O MET E4818 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N ARG E4823 " --> pdb=" O TYR E4819 " (cutoff:3.500A) Processing helix chain 'E' and resid 4827 through 4833 removed outlier: 4.103A pdb=" N GLU E4831 " --> pdb=" O GLY E4827 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ILE E4832 " --> pdb=" O ILE E4828 " (cutoff:3.500A) removed outlier: 5.533A pdb=" N GLU E4833 " --> pdb=" O GLY E4829 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 4827 through 4833' Processing helix chain 'E' and resid 4840 through 4855 Processing helix chain 'E' and resid 4858 through 4887 Processing helix chain 'E' and resid 4895 through 4901 Processing helix chain 'E' and resid 4904 through 4913 removed outlier: 4.529A pdb=" N THR E4908 " --> pdb=" O HIS E4904 " (cutoff:3.500A) Processing helix chain 'E' and resid 4915 through 4930 removed outlier: 4.367A pdb=" N TYR E4919 " --> pdb=" O ASN E4915 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N LEU E4920 " --> pdb=" O LEU E4916 " (cutoff:3.500A) removed outlier: 5.028A pdb=" N ASP E4930 " --> pdb=" O LEU E4926 " (cutoff:3.500A) Processing helix chain 'E' and resid 4935 through 4948 Processing helix chain 'E' and resid 4958 through 4964 removed outlier: 4.940A pdb=" N GLU E4964 " --> pdb=" O ARG E4960 " (cutoff:3.500A) Processing helix chain 'E' and resid 219 through 224 removed outlier: 5.712A pdb=" N GLU E 222 " --> pdb=" O SER E 219 " (cutoff:3.500A) removed outlier: 7.961A pdb=" N ALA E 223 " --> pdb=" O GLY E 220 " (cutoff:3.500A) removed outlier: 5.664A pdb=" N ALA E 224 " --> pdb=" O SER E 221 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 219 through 224' Processing helix chain 'E' and resid 2482 through 2488 removed outlier: 5.040A pdb=" N LEU E2485 " --> pdb=" O GLN E2482 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU E2486 " --> pdb=" O ASP E2483 " (cutoff:3.500A) Processing helix chain 'E' and resid 54 through 59 Proline residue: E 59 - end of helix No H-bonds generated for 'chain 'E' and resid 54 through 59' Processing helix chain 'E' and resid 4615 through 4620 Processing helix chain 'G' and resid 61 through 66 removed outlier: 5.187A pdb=" N CYS G 65 " --> pdb=" O ASP G 61 " (cutoff:3.500A) Processing helix chain 'G' and resid 74 through 85 removed outlier: 4.103A pdb=" N GLN G 79 " --> pdb=" O VAL G 75 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N GLU G 80 " --> pdb=" O ARG G 76 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N MET G 81 " --> pdb=" O ALA G 77 " (cutoff:3.500A) removed outlier: 4.780A pdb=" N THR G 85 " --> pdb=" O MET G 81 " (cutoff:3.500A) Processing helix chain 'G' and resid 100 through 106 removed outlier: 4.573A pdb=" N THR G 104 " --> pdb=" O PHE G 100 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N ALA G 105 " --> pdb=" O MET G 101 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLN G 106 " --> pdb=" O MET G 102 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 100 through 106' Processing helix chain 'G' and resid 155 through 160 removed outlier: 4.001A pdb=" N TRP G 159 " --> pdb=" O GLY G 155 " (cutoff:3.500A) removed outlier: 5.082A pdb=" N TRP G 160 " --> pdb=" O GLU G 156 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 155 through 160' Processing helix chain 'G' and resid 266 through 271 removed outlier: 4.453A pdb=" N ALA G 271 " --> pdb=" O VAL G 267 " (cutoff:3.500A) Processing helix chain 'G' and resid 318 through 323 removed outlier: 3.610A pdb=" N ALA G 322 " --> pdb=" O ASP G 318 " (cutoff:3.500A) removed outlier: 5.242A pdb=" N ASP G 323 " --> pdb=" O LYS G 319 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 318 through 323' Processing helix chain 'G' and resid 409 through 439 removed outlier: 3.913A pdb=" N ARG G 428 " --> pdb=" O PHE G 424 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N LEU G 436 " --> pdb=" O GLY G 432 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LYS G 438 " --> pdb=" O ASP G 434 " (cutoff:3.500A) Processing helix chain 'G' and resid 448 through 464 removed outlier: 5.168A pdb=" N VAL G 452 " --> pdb=" O PRO G 448 " (cutoff:3.500A) Processing helix chain 'G' and resid 471 through 493 Processing helix chain 'G' and resid 494 through 506 Processing helix chain 'G' and resid 519 through 543 removed outlier: 5.373A pdb=" N SER G 525 " --> pdb=" O GLU G 521 " (cutoff:3.500A) removed outlier: 5.658A pdb=" N TRP G 526 " --> pdb=" O ALA G 522 " (cutoff:3.500A) removed outlier: 5.936A pdb=" N LYS G 527 " --> pdb=" O GLY G 523 " (cutoff:3.500A) removed outlier: 5.757A pdb=" N SER G 528 " --> pdb=" O GLU G 524 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N LEU G 540 " --> pdb=" O LEU G 536 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N ILE G 541 " --> pdb=" O LEU G 537 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N ARG G 542 " --> pdb=" O ALA G 538 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N GLY G 543 " --> pdb=" O ALA G 539 " (cutoff:3.500A) Processing helix chain 'G' and resid 544 through 550 removed outlier: 4.696A pdb=" N GLN G 550 " --> pdb=" O LYS G 546 " (cutoff:3.500A) Processing helix chain 'G' and resid 551 through 562 removed outlier: 3.760A pdb=" N ASP G 556 " --> pdb=" O SER G 552 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N TRP G 557 " --> pdb=" O GLY G 553 " (cutoff:3.500A) Processing helix chain 'G' and resid 567 through 582 removed outlier: 3.595A pdb=" N ILE G 571 " --> pdb=" O ALA G 567 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N GLU G 581 " --> pdb=" O CYS G 577 " (cutoff:3.500A) Processing helix chain 'G' and resid 583 through 589 removed outlier: 3.695A pdb=" N ILE G 589 " --> pdb=" O ALA G 585 " (cutoff:3.500A) Processing helix chain 'G' and resid 590 through 605 removed outlier: 3.630A pdb=" N ILE G 594 " --> pdb=" O LYS G 590 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N ASP G 602 " --> pdb=" O ILE G 598 " (cutoff:3.500A) Processing helix chain 'G' and resid 607 through 620 removed outlier: 3.788A pdb=" N LEU G 611 " --> pdb=" O ASN G 607 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N VAL G 619 " --> pdb=" O CYS G 615 " (cutoff:3.500A) removed outlier: 4.590A pdb=" N CYS G 620 " --> pdb=" O SER G 616 " (cutoff:3.500A) Processing helix chain 'G' and resid 625 through 640 Proline residue: G 638 - end of helix Processing helix chain 'G' and resid 821 through 827 removed outlier: 4.987A pdb=" N LEU G 827 " --> pdb=" O TYR G 823 " (cutoff:3.500A) Processing helix chain 'G' and resid 875 through 901 removed outlier: 3.750A pdb=" N GLU G 879 " --> pdb=" O PRO G 875 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ARG G 880 " --> pdb=" O PRO G 876 " (cutoff:3.500A) removed outlier: 5.300A pdb=" N ILE G 881 " --> pdb=" O HIS G 877 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N LEU G 900 " --> pdb=" O ASN G 896 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N GLY G 901 " --> pdb=" O LYS G 897 " (cutoff:3.500A) Processing helix chain 'G' and resid 920 through 925 Proline residue: G 925 - end of helix Processing helix chain 'G' and resid 929 through 947 removed outlier: 3.924A pdb=" N SER G 936 " --> pdb=" O ASN G 932 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N LEU G 937 " --> pdb=" O LEU G 933 " (cutoff:3.500A) Processing helix chain 'G' and resid 989 through 1012 Processing helix chain 'G' and resid 1034 through 1039 removed outlier: 4.909A pdb=" N ASP G1039 " --> pdb=" O TYR G1035 " (cutoff:3.500A) Processing helix chain 'G' and resid 1040 through 1061 removed outlier: 4.740A pdb=" N SER G1045 " --> pdb=" O ARG G1041 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LYS G1047 " --> pdb=" O LYS G1043 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N SER G1049 " --> pdb=" O SER G1045 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N THR G1056 " --> pdb=" O GLU G1052 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N LEU G1057 " --> pdb=" O ALA G1053 " (cutoff:3.500A) removed outlier: 4.474A pdb=" N GLY G1061 " --> pdb=" O LEU G1057 " (cutoff:3.500A) Processing helix chain 'G' and resid 1224 through 1230 removed outlier: 3.689A pdb=" N ILE G1229 " --> pdb=" O LYS G1225 " (cutoff:3.500A) Processing helix chain 'G' and resid 1570 through 1576 removed outlier: 4.206A pdb=" N GLU G1574 " --> pdb=" O LEU G1570 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LYS G1576 " --> pdb=" O LYS G1572 " (cutoff:3.500A) Processing helix chain 'G' and resid 1643 through 1648 removed outlier: 4.698A pdb=" N GLN G1647 " --> pdb=" O GLU G1643 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU G1648 " --> pdb=" O LEU G1644 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1643 through 1648' Processing helix chain 'G' and resid 1649 through 1666 removed outlier: 4.099A pdb=" N ALA G1666 " --> pdb=" O SER G1662 " (cutoff:3.500A) Processing helix chain 'G' and resid 1669 through 1680 removed outlier: 3.952A pdb=" N HIS G1674 " --> pdb=" O HIS G1670 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N CYS G1677 " --> pdb=" O ALA G1673 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N SER G1678 " --> pdb=" O HIS G1674 " (cutoff:3.500A) removed outlier: 4.681A pdb=" N HIS G1679 " --> pdb=" O ALA G1675 " (cutoff:3.500A) Processing helix chain 'G' and resid 1681 through 1692 removed outlier: 5.744A pdb=" N LYS G1692 " --> pdb=" O ALA G1688 " (cutoff:3.500A) Processing helix chain 'G' and resid 1695 through 1710 removed outlier: 3.643A pdb=" N LEU G1706 " --> pdb=" O TYR G1702 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N ILE G1707 " --> pdb=" O TYR G1703 " (cutoff:3.500A) Processing helix chain 'G' and resid 1711 through 1722 Processing helix chain 'G' and resid 1730 through 1736 removed outlier: 4.311A pdb=" N ILE G1736 " --> pdb=" O GLU G1732 " (cutoff:3.500A) Processing helix chain 'G' and resid 1773 through 1778 removed outlier: 5.910A pdb=" N GLN G1777 " --> pdb=" O ASN G1773 " (cutoff:3.500A) removed outlier: 6.312A pdb=" N TYR G1778 " --> pdb=" O GLU G1774 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1773 through 1778' Processing helix chain 'G' and resid 1783 through 1805 removed outlier: 3.511A pdb=" N SER G1803 " --> pdb=" O VAL G1799 " (cutoff:3.500A) Processing helix chain 'G' and resid 1813 through 1832 Proline residue: G1820 - end of helix removed outlier: 3.825A pdb=" N GLY G1832 " --> pdb=" O LEU G1828 " (cutoff:3.500A) Processing helix chain 'G' and resid 1835 through 1847 removed outlier: 4.277A pdb=" N LEU G1839 " --> pdb=" O HIS G1835 " (cutoff:3.500A) Processing helix chain 'G' and resid 1900 through 1945 removed outlier: 4.573A pdb=" N LEU G1909 " --> pdb=" O LEU G1905 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LEU G1910 " --> pdb=" O GLN G1906 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU G1911 " --> pdb=" O MET G1907 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ASP G1932 " --> pdb=" O ALA G1928 " (cutoff:3.500A) removed outlier: 5.458A pdb=" N ALA G1935 " --> pdb=" O ASP G1931 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N LYS G1936 " --> pdb=" O ASP G1932 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N LEU G1937 " --> pdb=" O PHE G1933 " (cutoff:3.500A) Processing helix chain 'G' and resid 1995 through 2001 removed outlier: 6.954A pdb=" N ASP G1999 " --> pdb=" O ASP G1995 " (cutoff:3.500A) removed outlier: 8.097A pdb=" N PHE G2000 " --> pdb=" O GLN G1996 " (cutoff:3.500A) removed outlier: 7.485A pdb=" N HIS G2001 " --> pdb=" O LEU G1997 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1995 through 2001' Processing helix chain 'G' and resid 2002 through 2012 Processing helix chain 'G' and resid 2024 through 2039 removed outlier: 3.950A pdb=" N GLY G2028 " --> pdb=" O LEU G2024 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N LEU G2030 " --> pdb=" O ILE G2026 " (cutoff:3.500A) removed outlier: 4.628A pdb=" N TYR G2039 " --> pdb=" O GLU G2035 " (cutoff:3.500A) Processing helix chain 'G' and resid 2059 through 2073 removed outlier: 3.980A pdb=" N MET G2067 " --> pdb=" O ILE G2063 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N VAL G2068 " --> pdb=" O SER G2064 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N ARG G2069 " --> pdb=" O GLU G2065 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N TRP G2070 " --> pdb=" O THR G2066 " (cutoff:3.500A) Processing helix chain 'G' and resid 2078 through 2095 removed outlier: 3.766A pdb=" N VAL G2082 " --> pdb=" O ASP G2078 " (cutoff:3.500A) Processing helix chain 'G' and resid 2096 through 2106 removed outlier: 3.930A pdb=" N LEU G2103 " --> pdb=" O LEU G2099 " (cutoff:3.500A) Proline residue: G2104 - end of helix Processing helix chain 'G' and resid 2113 through 2134 removed outlier: 3.829A pdb=" N THR G2117 " --> pdb=" O SER G2113 " (cutoff:3.500A) removed outlier: 4.598A pdb=" N SER G2132 " --> pdb=" O ARG G2128 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N VAL G2133 " --> pdb=" O SER G2129 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N ARG G2134 " --> pdb=" O LEU G2130 " (cutoff:3.500A) Processing helix chain 'G' and resid 2137 through 2153 removed outlier: 4.849A pdb=" N LYS G2141 " --> pdb=" O LYS G2137 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N LEU G2142 " --> pdb=" O GLU G2138 " (cutoff:3.500A) Processing helix chain 'G' and resid 2154 through 2160 removed outlier: 4.817A pdb=" N GLN G2158 " --> pdb=" O LYS G2154 " (cutoff:3.500A) removed outlier: 5.228A pdb=" N HIS G2159 " --> pdb=" O VAL G2155 " (cutoff:3.500A) Proline residue: G2160 - end of helix No H-bonds generated for 'chain 'G' and resid 2154 through 2160' Processing helix chain 'G' and resid 2161 through 2167 Processing helix chain 'G' and resid 2168 through 2181 removed outlier: 4.342A pdb=" N GLY G2181 " --> pdb=" O VAL G2177 " (cutoff:3.500A) Processing helix chain 'G' and resid 2192 through 2209 removed outlier: 4.031A pdb=" N ILE G2207 " --> pdb=" O TYR G2203 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N SER G2208 " --> pdb=" O PHE G2204 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N ARG G2209 " --> pdb=" O CYS G2205 " (cutoff:3.500A) Processing helix chain 'G' and resid 2210 through 2219 removed outlier: 3.965A pdb=" N ASP G2217 " --> pdb=" O LYS G2213 " (cutoff:3.500A) removed outlier: 5.135A pdb=" N HIS G2218 " --> pdb=" O ALA G2214 " (cutoff:3.500A) removed outlier: 5.095A pdb=" N LEU G2219 " --> pdb=" O MET G2215 " (cutoff:3.500A) Processing helix chain 'G' and resid 2220 through 2227 removed outlier: 4.027A pdb=" N GLU G2224 " --> pdb=" O SER G2220 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N SER G2227 " --> pdb=" O LEU G2223 " (cutoff:3.500A) Processing helix chain 'G' and resid 2239 through 2249 removed outlier: 3.903A pdb=" N VAL G2248 " --> pdb=" O ALA G2244 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N MET G2249 " --> pdb=" O ALA G2245 " (cutoff:3.500A) Processing helix chain 'G' and resid 2251 through 2258 Processing helix chain 'G' and resid 2260 through 2271 removed outlier: 3.732A pdb=" N LEU G2270 " --> pdb=" O VAL G2266 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ALA G2271 " --> pdb=" O VAL G2267 " (cutoff:3.500A) Processing helix chain 'G' and resid 2296 through 2308 removed outlier: 4.399A pdb=" N LEU G2300 " --> pdb=" O GLY G2296 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N ASP G2301 " --> pdb=" O GLU G2297 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N PHE G2302 " --> pdb=" O ARG G2298 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N PHE G2305 " --> pdb=" O ASP G2301 " (cutoff:3.500A) Processing helix chain 'G' and resid 2314 through 2326 removed outlier: 4.659A pdb=" N ALA G2318 " --> pdb=" O VAL G2314 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N ARG G2323 " --> pdb=" O ASN G2319 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N ILE G2326 " --> pdb=" O VAL G2322 " (cutoff:3.500A) Processing helix chain 'G' and resid 2343 through 2349 removed outlier: 3.820A pdb=" N ALA G2347 " --> pdb=" O GLY G2343 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N MET G2348 " --> pdb=" O LEU G2344 " (cutoff:3.500A) removed outlier: 5.198A pdb=" N GLU G2349 " --> pdb=" O LEU G2345 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 2343 through 2349' Processing helix chain 'G' and resid 2388 through 2402 removed outlier: 3.912A pdb=" N LEU G2396 " --> pdb=" O PHE G2392 " (cutoff:3.500A) removed outlier: 4.440A pdb=" N ARG G2402 " --> pdb=" O ASP G2398 " (cutoff:3.500A) Processing helix chain 'G' and resid 2418 through 2426 removed outlier: 5.077A pdb=" N SER G2422 " --> pdb=" O ILE G2418 " (cutoff:3.500A) removed outlier: 4.537A pdb=" N ILE G2423 " --> pdb=" O ARG G2419 " (cutoff:3.500A) Processing helix chain 'G' and resid 2433 through 2440 removed outlier: 4.046A pdb=" N ILE G2437 " --> pdb=" O LEU G2433 " (cutoff:3.500A) removed outlier: 4.863A pdb=" N ILE G2439 " --> pdb=" O GLY G2435 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N ALA G2440 " --> pdb=" O VAL G2436 " (cutoff:3.500A) Processing helix chain 'G' and resid 2461 through 2477 removed outlier: 4.412A pdb=" N LYS G2466 " --> pdb=" O CYS G2462 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ALA G2467 " --> pdb=" O PRO G2463 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N ALA G2468 " --> pdb=" O ASP G2464 " (cutoff:3.500A) Processing helix chain 'G' and resid 2492 through 2499 removed outlier: 3.752A pdb=" N ASP G2496 " --> pdb=" O GLY G2492 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG G2498 " --> pdb=" O LEU G2494 " (cutoff:3.500A) Processing helix chain 'G' and resid 2511 through 2527 removed outlier: 4.094A pdb=" N ASN G2518 " --> pdb=" O ALA G2514 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU G2521 " --> pdb=" O LEU G2517 " (cutoff:3.500A) removed outlier: 5.167A pdb=" N CYS G2522 " --> pdb=" O ASN G2518 " (cutoff:3.500A) removed outlier: 4.760A pdb=" N THR G2523 " --> pdb=" O ARG G2519 " (cutoff:3.500A) Proline residue: G2527 - end of helix Processing helix chain 'G' and resid 2536 through 2553 removed outlier: 4.454A pdb=" N GLU G2540 " --> pdb=" O PHE G2536 " (cutoff:3.500A) Processing helix chain 'G' and resid 2559 through 2576 removed outlier: 3.793A pdb=" N ARG G2567 " --> pdb=" O THR G2563 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ASP G2568 " --> pdb=" O LYS G2564 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N ILE G2570 " --> pdb=" O GLN G2566 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N GLU G2571 " --> pdb=" O ARG G2567 " (cutoff:3.500A) removed outlier: 4.727A pdb=" N SER G2576 " --> pdb=" O VAL G2572 " (cutoff:3.500A) Processing helix chain 'G' and resid 2582 through 2594 removed outlier: 4.020A pdb=" N LEU G2593 " --> pdb=" O LEU G2589 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N VAL G2594 " --> pdb=" O LEU G2590 " (cutoff:3.500A) Processing helix chain 'G' and resid 2596 through 2601 removed outlier: 4.332A pdb=" N LEU G2600 " --> pdb=" O ASP G2596 " (cutoff:3.500A) removed outlier: 4.250A pdb=" N ASN G2601 " --> pdb=" O VAL G2597 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 2596 through 2601' Processing helix chain 'G' and resid 2605 through 2624 removed outlier: 4.760A pdb=" N LEU G2610 " --> pdb=" O MET G2606 " (cutoff:3.500A) removed outlier: 5.010A pdb=" N LEU G2611 " --> pdb=" O PRO G2607 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N GLU G2616 " --> pdb=" O THR G2612 " (cutoff:3.500A) removed outlier: 5.021A pdb=" N ARG G2617 " --> pdb=" O ASN G2613 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N CYS G2618 " --> pdb=" O HIS G2614 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N LEU G2624 " --> pdb=" O LYS G2620 " (cutoff:3.500A) Processing helix chain 'G' and resid 2634 through 2653 removed outlier: 4.373A pdb=" N LEU G2653 " --> pdb=" O ILE G2649 " (cutoff:3.500A) Processing helix chain 'G' and resid 2658 through 2679 removed outlier: 4.023A pdb=" N LEU G2665 " --> pdb=" O GLU G2661 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N ALA G2666 " --> pdb=" O LEU G2662 " (cutoff:3.500A) Proline residue: G2668 - end of helix Proline residue: G2678 - end of helix Processing helix chain 'G' and resid 2715 through 2741 removed outlier: 4.770A pdb=" N GLU G2719 " --> pdb=" O PRO G2715 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N TYR G2720 " --> pdb=" O GLU G2716 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N ASN G2740 " --> pdb=" O ASP G2736 " (cutoff:3.500A) Processing helix chain 'G' and resid 2768 through 2786 removed outlier: 4.576A pdb=" N TYR G2772 " --> pdb=" O GLU G2768 " (cutoff:3.500A) Proline residue: G2775 - end of helix removed outlier: 3.769A pdb=" N LYS G2781 " --> pdb=" O LYS G2777 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N THR G2782 " --> pdb=" O GLU G2778 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU G2784 " --> pdb=" O LEU G2780 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N ALA G2785 " --> pdb=" O LYS G2781 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N TRP G2786 " --> pdb=" O THR G2782 " (cutoff:3.500A) Processing helix chain 'G' and resid 2835 through 2865 removed outlier: 4.444A pdb=" N MET G2841 " --> pdb=" O ASP G2837 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N SER G2863 " --> pdb=" O LEU G2859 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N LYS G2864 " --> pdb=" O GLU G2860 " (cutoff:3.500A) removed outlier: 4.215A pdb=" N GLY G2865 " --> pdb=" O LEU G2861 " (cutoff:3.500A) Processing helix chain 'G' and resid 2880 through 2901 removed outlier: 3.864A pdb=" N GLU G2888 " --> pdb=" O ALA G2884 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N LYS G2889 " --> pdb=" O LYS G2885 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ALA G2890 " --> pdb=" O ASP G2886 " (cutoff:3.500A) Processing helix chain 'G' and resid 2987 through 3004 removed outlier: 4.130A pdb=" N LEU G2991 " --> pdb=" O ALA G2987 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N SER G2998 " --> pdb=" O GLY G2994 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N LYS G3000 " --> pdb=" O HIS G2996 " (cutoff:3.500A) removed outlier: 4.962A pdb=" N GLU G3001 " --> pdb=" O ALA G2997 " (cutoff:3.500A) removed outlier: 4.192A pdb=" N LYS G3002 " --> pdb=" O SER G2998 " (cutoff:3.500A) removed outlier: 4.686A pdb=" N GLU G3003 " --> pdb=" O ASN G2999 " (cutoff:3.500A) removed outlier: 5.702A pdb=" N MET G3004 " --> pdb=" O LYS G3000 " (cutoff:3.500A) Processing helix chain 'G' and resid 3009 through 3028 Processing helix chain 'G' and resid 3034 through 3052 Processing helix chain 'G' and resid 3065 through 3082 removed outlier: 4.064A pdb=" N LEU G3069 " --> pdb=" O ALA G3065 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLU G3070 " --> pdb=" O ALA G3066 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N THR G3072 " --> pdb=" O ASP G3068 " (cutoff:3.500A) removed outlier: 4.422A pdb=" N MET G3073 " --> pdb=" O LEU G3069 " (cutoff:3.500A) Processing helix chain 'G' and resid 3100 through 3107 Proline residue: G3104 - end of helix Processing helix chain 'G' and resid 3108 through 3113 Processing helix chain 'G' and resid 3125 through 3144 removed outlier: 4.739A pdb=" N VAL G3129 " --> pdb=" O GLU G3125 " (cutoff:3.500A) removed outlier: 4.701A pdb=" N SER G3130 " --> pdb=" O ASP G3126 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N CYS G3131 " --> pdb=" O VAL G3127 " (cutoff:3.500A) removed outlier: 4.633A pdb=" N ILE G3134 " --> pdb=" O SER G3130 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N LEU G3135 " --> pdb=" O CYS G3131 " (cutoff:3.500A) removed outlier: 4.683A pdb=" N THR G3136 " --> pdb=" O TYR G3132 " (cutoff:3.500A) removed outlier: 4.442A pdb=" N SER G3137 " --> pdb=" O ARG G3133 " (cutoff:3.500A) removed outlier: 4.920A pdb=" N TYR G3139 " --> pdb=" O LEU G3135 " (cutoff:3.500A) removed outlier: 5.071A pdb=" N ALA G3140 " --> pdb=" O THR G3136 " (cutoff:3.500A) Processing helix chain 'G' and resid 3149 through 3166 removed outlier: 3.659A pdb=" N ARG G3153 " --> pdb=" O VAL G3149 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ALA G3155 " --> pdb=" O ARG G3151 " (cutoff:3.500A) removed outlier: 4.365A pdb=" N LEU G3160 " --> pdb=" O LEU G3156 " (cutoff:3.500A) removed outlier: 4.785A pdb=" N ALA G3161 " --> pdb=" O GLY G3157 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N GLY G3165 " --> pdb=" O ALA G3161 " (cutoff:3.500A) removed outlier: 5.438A pdb=" N ALA G3166 " --> pdb=" O ALA G3162 " (cutoff:3.500A) Processing helix chain 'G' and resid 3170 through 3182 removed outlier: 3.951A pdb=" N THR G3174 " --> pdb=" O ALA G3170 " (cutoff:3.500A) removed outlier: 5.813A pdb=" N LYS G3178 " --> pdb=" O THR G3174 " (cutoff:3.500A) removed outlier: 6.382A pdb=" N HIS G3179 " --> pdb=" O HIS G3175 " (cutoff:3.500A) removed outlier: 5.734A pdb=" N ASN G3180 " --> pdb=" O LEU G3176 " (cutoff:3.500A) removed outlier: 4.041A pdb=" N ILE G3181 " --> pdb=" O ASP G3177 " (cutoff:3.500A) Processing helix chain 'G' and resid 3613 through 3629 Processing helix chain 'G' and resid 3637 through 3647 removed outlier: 4.295A pdb=" N LYS G3647 " --> pdb=" O GLU G3643 " (cutoff:3.500A) Processing helix chain 'G' and resid 3663 through 3678 Processing helix chain 'G' and resid 3686 through 3700 removed outlier: 3.748A pdb=" N MET G3690 " --> pdb=" O ASP G3686 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N CYS G3700 " --> pdb=" O MET G3696 " (cutoff:3.500A) Processing helix chain 'G' and resid 3714 through 3734 Processing helix chain 'G' and resid 3736 through 3749 removed outlier: 4.245A pdb=" N MET G3740 " --> pdb=" O GLY G3736 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL G3741 " --> pdb=" O ALA G3737 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N LYS G3749 " --> pdb=" O ILE G3745 " (cutoff:3.500A) Processing helix chain 'G' and resid 3753 through 3768 removed outlier: 3.665A pdb=" N ALA G3757 " --> pdb=" O GLY G3753 " (cutoff:3.500A) Processing helix chain 'G' and resid 3771 through 3786 removed outlier: 3.963A pdb=" N LYS G3785 " --> pdb=" O TYR G3781 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N LYS G3786 " --> pdb=" O LEU G3782 " (cutoff:3.500A) Processing helix chain 'G' and resid 3787 through 3801 removed outlier: 3.881A pdb=" N PHE G3791 " --> pdb=" O ASP G3787 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N SER G3800 " --> pdb=" O GLY G3796 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N CYS G3801 " --> pdb=" O LEU G3797 " (cutoff:3.500A) Processing helix chain 'G' and resid 3805 through 3816 removed outlier: 3.666A pdb=" N PHE G3809 " --> pdb=" O ASP G3805 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N GLU G3816 " --> pdb=" O GLN G3812 " (cutoff:3.500A) Processing helix chain 'G' and resid 3834 through 3849 removed outlier: 3.766A pdb=" N CYS G3848 " --> pdb=" O LEU G3844 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLU G3849 " --> pdb=" O GLN G3845 " (cutoff:3.500A) Processing helix chain 'G' and resid 3852 through 3862 Processing helix chain 'G' and resid 3870 through 3895 removed outlier: 3.555A pdb=" N SER G3874 " --> pdb=" O ASN G3870 " (cutoff:3.500A) removed outlier: 4.614A pdb=" N GLY G3895 " --> pdb=" O TRP G3891 " (cutoff:3.500A) Processing helix chain 'G' and resid 3900 through 3926 Processing helix chain 'G' and resid 3929 through 3939 Processing helix chain 'G' and resid 3940 through 3956 removed outlier: 5.019A pdb=" N ALA G3944 " --> pdb=" O ARG G3940 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N HIS G3954 " --> pdb=" O HIS G3950 " (cutoff:3.500A) Processing helix chain 'G' and resid 3963 through 3988 removed outlier: 4.382A pdb=" N GLU G3967 " --> pdb=" O SER G3963 " (cutoff:3.500A) removed outlier: 4.435A pdb=" N LEU G3968 " --> pdb=" O SER G3964 " (cutoff:3.500A) Processing helix chain 'G' and resid 3994 through 4008 Processing helix chain 'G' and resid 4009 through 4029 removed outlier: 3.920A pdb=" N MET G4013 " --> pdb=" O ASN G4009 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N ILE G4014 " --> pdb=" O ASN G4010 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N THR G4028 " --> pdb=" O LEU G4024 " (cutoff:3.500A) removed outlier: 5.001A pdb=" N SER G4029 " --> pdb=" O LYS G4025 " (cutoff:3.500A) Processing helix chain 'G' and resid 4033 through 4038 removed outlier: 3.766A pdb=" N ASP G4037 " --> pdb=" O PHE G4033 " (cutoff:3.500A) Proline residue: G4038 - end of helix No H-bonds generated for 'chain 'G' and resid 4033 through 4038' Processing helix chain 'G' and resid 4045 through 4057 Processing helix chain 'G' and resid 4060 through 4072 removed outlier: 4.572A pdb=" N GLU G4072 " --> pdb=" O LEU G4068 " (cutoff:3.500A) Processing helix chain 'G' and resid 4087 through 4110 Proline residue: G4091 - end of helix Processing helix chain 'G' and resid 4114 through 4123 removed outlier: 4.790A pdb=" N ALA G4123 " --> pdb=" O PHE G4119 " (cutoff:3.500A) Processing helix chain 'G' and resid 4124 through 4131 removed outlier: 4.578A pdb=" N ASN G4128 " --> pdb=" O GLU G4124 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N GLN G4131 " --> pdb=" O LEU G4127 " (cutoff:3.500A) Processing helix chain 'G' and resid 4154 through 4163 removed outlier: 3.932A pdb=" N LYS G4163 " --> pdb=" O THR G4159 " (cutoff:3.500A) Processing helix chain 'G' and resid 4164 through 4180 removed outlier: 7.153A pdb=" N GLU G4168 " --> pdb=" O PRO G4164 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N SER G4169 " --> pdb=" O GLN G4165 " (cutoff:3.500A) Processing helix chain 'G' and resid 4183 through 4206 removed outlier: 5.562A pdb=" N MET G4187 " --> pdb=" O GLU G4183 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N GLU G4188 " --> pdb=" O LYS G4184 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N GLN G4206 " --> pdb=" O GLN G4202 " (cutoff:3.500A) Processing helix chain 'G' and resid 4488 through 4500 removed outlier: 3.621A pdb=" N LEU G4493 " --> pdb=" O GLN G4489 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ASN G4494 " --> pdb=" O GLN G4490 " (cutoff:3.500A) removed outlier: 4.978A pdb=" N TYR G4495 " --> pdb=" O LYS G4491 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N PHE G4496 " --> pdb=" O LEU G4492 " (cutoff:3.500A) removed outlier: 4.141A pdb=" N ALA G4497 " --> pdb=" O LEU G4493 " (cutoff:3.500A) Processing helix chain 'G' and resid 4501 through 4521 removed outlier: 3.822A pdb=" N ALA G4511 " --> pdb=" O ALA G4507 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N PHE G4512 " --> pdb=" O LEU G4508 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N ALA G4513 " --> pdb=" O PHE G4509 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ILE G4517 " --> pdb=" O ALA G4513 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N LEU G4518 " --> pdb=" O ILE G4514 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N LEU G4519 " --> pdb=" O ASN G4515 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N PHE G4520 " --> pdb=" O PHE G4516 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N TYR G4521 " --> pdb=" O ILE G4517 " (cutoff:3.500A) Processing helix chain 'G' and resid 4570 through 4614 removed outlier: 4.276A pdb=" N ILE G4578 " --> pdb=" O ARG G4574 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N THR G4581 " --> pdb=" O ALA G4577 " (cutoff:3.500A) removed outlier: 4.880A pdb=" N VAL G4596 " --> pdb=" O TYR G4592 " (cutoff:3.500A) Proline residue: G4597 - end of helix removed outlier: 5.590A pdb=" N ILE G4600 " --> pdb=" O VAL G4596 " (cutoff:3.500A) Processing helix chain 'G' and resid 4626 through 4636 removed outlier: 3.535A pdb=" N ASP G4632 " --> pdb=" O LYS G4628 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N LEU G4634 " --> pdb=" O GLN G4630 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N VAL G4635 " --> pdb=" O TRP G4631 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ILE G4636 " --> pdb=" O ASP G4632 " (cutoff:3.500A) Processing helix chain 'G' and resid 4648 through 4659 removed outlier: 4.041A pdb=" N ARG G4652 " --> pdb=" O LYS G4648 " (cutoff:3.500A) Processing helix chain 'G' and resid 4664 through 4672 Processing helix chain 'G' and resid 4704 through 4717 removed outlier: 4.063A pdb=" N THR G4716 " --> pdb=" O GLY G4712 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N ASP G4717 " --> pdb=" O VAL G4713 " (cutoff:3.500A) Processing helix chain 'G' and resid 4718 through 4736 removed outlier: 4.365A pdb=" N LEU G4732 " --> pdb=" O THR G4728 " (cutoff:3.500A) removed outlier: 5.207A pdb=" N GLY G4733 " --> pdb=" O MET G4729 " (cutoff:3.500A) removed outlier: 5.298A pdb=" N HIS G4734 " --> pdb=" O SER G4730 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N TYR G4735 " --> pdb=" O VAL G4731 " (cutoff:3.500A) Processing helix chain 'G' and resid 4744 through 4751 removed outlier: 5.087A pdb=" N ALA G4748 " --> pdb=" O LEU G4744 " (cutoff:3.500A) removed outlier: 4.421A pdb=" N MET G4749 " --> pdb=" O LEU G4745 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N PHE G4751 " --> pdb=" O ILE G4747 " (cutoff:3.500A) Processing helix chain 'G' and resid 4753 through 4766 removed outlier: 4.785A pdb=" N ILE G4757 " --> pdb=" O THR G4753 " (cutoff:3.500A) removed outlier: 5.147A pdb=" N ASN G4764 " --> pdb=" O SER G4760 " (cutoff:3.500A) removed outlier: 5.027A pdb=" N LYS G4766 " --> pdb=" O THR G4762 " (cutoff:3.500A) Processing helix chain 'G' and resid 4767 through 4790 removed outlier: 4.183A pdb=" N VAL G4784 " --> pdb=" O TYR G4780 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N VAL G4785 " --> pdb=" O LEU G4781 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N ALA G4786 " --> pdb=" O TYR G4782 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N PHE G4787 " --> pdb=" O THR G4783 " (cutoff:3.500A) Processing helix chain 'G' and resid 4809 through 4824 removed outlier: 4.147A pdb=" N VAL G4822 " --> pdb=" O MET G4818 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N ARG G4823 " --> pdb=" O TYR G4819 " (cutoff:3.500A) Processing helix chain 'G' and resid 4827 through 4833 removed outlier: 4.102A pdb=" N GLU G4831 " --> pdb=" O GLY G4827 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ILE G4832 " --> pdb=" O ILE G4828 " (cutoff:3.500A) removed outlier: 5.533A pdb=" N GLU G4833 " --> pdb=" O GLY G4829 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 4827 through 4833' Processing helix chain 'G' and resid 4840 through 4855 Processing helix chain 'G' and resid 4858 through 4887 Processing helix chain 'G' and resid 4895 through 4901 Processing helix chain 'G' and resid 4904 through 4913 removed outlier: 4.528A pdb=" N THR G4908 " --> pdb=" O HIS G4904 " (cutoff:3.500A) Processing helix chain 'G' and resid 4915 through 4930 removed outlier: 4.367A pdb=" N TYR G4919 " --> pdb=" O ASN G4915 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N LEU G4920 " --> pdb=" O LEU G4916 " (cutoff:3.500A) removed outlier: 5.028A pdb=" N ASP G4930 " --> pdb=" O LEU G4926 " (cutoff:3.500A) Processing helix chain 'G' and resid 4935 through 4948 Processing helix chain 'G' and resid 4958 through 4964 removed outlier: 4.940A pdb=" N GLU G4964 " --> pdb=" O ARG G4960 " (cutoff:3.500A) Processing helix chain 'G' and resid 219 through 224 removed outlier: 5.712A pdb=" N GLU G 222 " --> pdb=" O SER G 219 " (cutoff:3.500A) removed outlier: 7.961A pdb=" N ALA G 223 " --> pdb=" O GLY G 220 " (cutoff:3.500A) removed outlier: 5.664A pdb=" N ALA G 224 " --> pdb=" O SER G 221 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 219 through 224' Processing helix chain 'G' and resid 2482 through 2488 removed outlier: 5.039A pdb=" N LEU G2485 " --> pdb=" O GLN G2482 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU G2486 " --> pdb=" O ASP G2483 " (cutoff:3.500A) Processing helix chain 'G' and resid 54 through 59 Proline residue: G 59 - end of helix No H-bonds generated for 'chain 'G' and resid 54 through 59' Processing helix chain 'G' and resid 4615 through 4620 Processing helix chain 'B' and resid 38 through 43 removed outlier: 3.836A pdb=" N ARG B 42 " --> pdb=" O SER B 38 " (cutoff:3.500A) Processing helix chain 'B' and resid 56 through 67 removed outlier: 4.500A pdb=" N SER B 67 " --> pdb=" O ALA B 63 " (cutoff:3.500A) Processing helix chain 'B' and resid 77 through 82 removed outlier: 3.691A pdb=" N TYR B 82 " --> pdb=" O PRO B 78 " (cutoff:3.500A) Processing helix chain 'D' and resid 38 through 43 removed outlier: 3.836A pdb=" N ARG D 42 " --> pdb=" O SER D 38 " (cutoff:3.500A) Processing helix chain 'D' and resid 56 through 67 removed outlier: 4.500A pdb=" N SER D 67 " --> pdb=" O ALA D 63 " (cutoff:3.500A) Processing helix chain 'D' and resid 77 through 82 removed outlier: 3.690A pdb=" N TYR D 82 " --> pdb=" O PRO D 78 " (cutoff:3.500A) Processing helix chain 'F' and resid 38 through 43 removed outlier: 3.836A pdb=" N ARG F 42 " --> pdb=" O SER F 38 " (cutoff:3.500A) Processing helix chain 'F' and resid 56 through 67 removed outlier: 4.500A pdb=" N SER F 67 " --> pdb=" O ALA F 63 " (cutoff:3.500A) Processing helix chain 'F' and resid 77 through 82 removed outlier: 3.690A pdb=" N TYR F 82 " --> pdb=" O PRO F 78 " (cutoff:3.500A) Processing helix chain 'H' and resid 38 through 43 removed outlier: 3.836A pdb=" N ARG H 42 " --> pdb=" O SER H 38 " (cutoff:3.500A) Processing helix chain 'H' and resid 56 through 67 removed outlier: 4.500A pdb=" N SER H 67 " --> pdb=" O ALA H 63 " (cutoff:3.500A) Processing helix chain 'H' and resid 77 through 82 removed outlier: 3.690A pdb=" N TYR H 82 " --> pdb=" O PRO H 78 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 19 through 23 removed outlier: 7.226A pdb=" N GLU A 19 " --> pdb=" O ILE A 217 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ALA A 215 " --> pdb=" O VAL A 21 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 34 through 39 No H-bonds generated for sheet with id= 2 Processing sheet with id= 3, first strand: chain 'A' and resid 67 through 70 removed outlier: 3.715A pdb=" N ARG A 122 " --> pdb=" O VAL A 68 " (cutoff:3.500A) removed outlier: 6.297A pdb=" N LEU A 120 " --> pdb=" O GLU A 70 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'A' and resid 161 through 164 Processing sheet with id= 5, first strand: chain 'A' and resid 193 through 196 Processing sheet with id= 6, first strand: chain 'A' and resid 244 through 247 Processing sheet with id= 7, first strand: chain 'A' and resid 306 through 309 removed outlier: 3.712A pdb=" N LEU A 315 " --> pdb=" O SER A 307 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N MET A 309 " --> pdb=" O SER A 313 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N SER A 313 " --> pdb=" O MET A 309 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'A' and resid 361 through 365 removed outlier: 8.079A pdb=" N LEU A 274 " --> pdb=" O VAL A 300 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N LEU A 234 " --> pdb=" O TRP A 275 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N ASP A 232 " --> pdb=" O LEU A 277 " (cutoff:3.500A) removed outlier: 6.716A pdb=" N VAL A 233 " --> pdb=" O SER A 408 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'A' and resid 371 through 375 removed outlier: 5.429A pdb=" N LYS A 390 " --> pdb=" O GLN A 375 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'A' and resid 647 through 650 Processing sheet with id= 11, first strand: chain 'A' and resid 652 through 656 removed outlier: 3.542A pdb=" N VAL A 791 " --> pdb=" O GLY A 696 " (cutoff:3.500A) removed outlier: 5.383A pdb=" N GLY A 696 " --> pdb=" O VAL A 791 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N HIS A 692 " --> pdb=" O SER A 795 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'A' and resid 671 through 680 removed outlier: 4.837A pdb=" N LYS A 671 " --> pdb=" O LEU A 761 " (cutoff:3.500A) removed outlier: 4.587A pdb=" N LEU A 761 " --> pdb=" O LYS A 671 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ASP A 753 " --> pdb=" O VAL A 679 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'A' and resid 776 through 779 No H-bonds generated for sheet with id= 13 Processing sheet with id= 14, first strand: chain 'A' and resid 849 through 853 removed outlier: 6.424A pdb=" N VAL A1212 " --> pdb=" O VAL A1108 " (cutoff:3.500A) removed outlier: 4.758A pdb=" N GLY A1099 " --> pdb=" O MET A1168 " (cutoff:3.500A) removed outlier: 5.862A pdb=" N PHE A1105 " --> pdb=" O VAL A1162 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP A1160 " --> pdb=" O ALA A1107 " (cutoff:3.500A) removed outlier: 4.650A pdb=" N GLY A1163 " --> pdb=" O THR A1176 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N THR A1172 " --> pdb=" O ASP A1167 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'A' and resid 1148 through 1152 removed outlier: 3.595A pdb=" N GLY A1148 " --> pdb=" O HIS A1146 " (cutoff:3.500A) removed outlier: 5.369A pdb=" N ALA A1142 " --> pdb=" O TYR A1152 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ASP A1112 " --> pdb=" O GLY A1208 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLY A1208 " --> pdb=" O ASP A1112 " (cutoff:3.500A) removed outlier: 6.379A pdb=" N ILE A1087 " --> pdb=" O SER A1252 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'A' and resid 1268 through 1271 removed outlier: 4.356A pdb=" N GLU A1269 " --> pdb=" O PHE A1290 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N THR A1271 " --> pdb=" O LYS A1288 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N LYS A1288 " --> pdb=" O THR A1271 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'A' and resid 1307 through 1310 removed outlier: 4.742A pdb=" N THR A1537 " --> pdb=" O CYS A1310 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N LEU A1304 " --> pdb=" O PRO A1541 " (cutoff:3.500A) removed outlier: 4.523A pdb=" N ALA A1547 " --> pdb=" O ASP A1298 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N ASP A1298 " --> pdb=" O ALA A1547 " (cutoff:3.500A) removed outlier: 5.699A pdb=" N PHE A1301 " --> pdb=" O LEU A1595 " (cutoff:3.500A) removed outlier: 4.453A pdb=" N SER A1305 " --> pdb=" O LEU A1591 " (cutoff:3.500A) removed outlier: 6.588A pdb=" N LEU A1591 " --> pdb=" O SER A1305 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'A' and resid 1487 through 1490 Processing sheet with id= 19, first strand: chain 'A' and resid 1516 through 1521 removed outlier: 3.650A pdb=" N GLY A1504 " --> pdb=" O ILE A1432 " (cutoff:3.500A) removed outlier: 4.130A pdb=" N GLU A1506 " --> pdb=" O VAL A1430 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL A1430 " --> pdb=" O GLU A1506 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N TYR A1426 " --> pdb=" O VAL A1510 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'A' and resid 1726 through 1729 removed outlier: 3.558A pdb=" N MET A1729 " --> pdb=" O ILE A2109 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'A' and resid 4133 through 4140 removed outlier: 4.701A pdb=" N PHE A4133 " --> pdb=" O ILE A4153 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'A' and resid 1441 through 1445 Processing sheet with id= 23, first strand: chain 'C' and resid 19 through 23 removed outlier: 7.226A pdb=" N GLU C 19 " --> pdb=" O ILE C 217 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ALA C 215 " --> pdb=" O VAL C 21 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'C' and resid 34 through 39 No H-bonds generated for sheet with id= 24 Processing sheet with id= 25, first strand: chain 'C' and resid 67 through 70 removed outlier: 3.716A pdb=" N ARG C 122 " --> pdb=" O VAL C 68 " (cutoff:3.500A) removed outlier: 6.297A pdb=" N LEU C 120 " --> pdb=" O GLU C 70 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'C' and resid 161 through 164 Processing sheet with id= 27, first strand: chain 'C' and resid 193 through 196 Processing sheet with id= 28, first strand: chain 'C' and resid 244 through 247 Processing sheet with id= 29, first strand: chain 'C' and resid 306 through 309 removed outlier: 3.712A pdb=" N LEU C 315 " --> pdb=" O SER C 307 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N MET C 309 " --> pdb=" O SER C 313 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N SER C 313 " --> pdb=" O MET C 309 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'C' and resid 361 through 365 removed outlier: 8.078A pdb=" N LEU C 274 " --> pdb=" O VAL C 300 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N LEU C 234 " --> pdb=" O TRP C 275 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N ASP C 232 " --> pdb=" O LEU C 277 " (cutoff:3.500A) removed outlier: 6.716A pdb=" N VAL C 233 " --> pdb=" O SER C 408 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'C' and resid 371 through 375 removed outlier: 5.429A pdb=" N LYS C 390 " --> pdb=" O GLN C 375 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'C' and resid 647 through 650 Processing sheet with id= 33, first strand: chain 'C' and resid 652 through 656 removed outlier: 3.542A pdb=" N VAL C 791 " --> pdb=" O GLY C 696 " (cutoff:3.500A) removed outlier: 5.383A pdb=" N GLY C 696 " --> pdb=" O VAL C 791 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N HIS C 692 " --> pdb=" O SER C 795 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'C' and resid 671 through 680 removed outlier: 4.838A pdb=" N LYS C 671 " --> pdb=" O LEU C 761 " (cutoff:3.500A) removed outlier: 4.587A pdb=" N LEU C 761 " --> pdb=" O LYS C 671 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ASP C 753 " --> pdb=" O VAL C 679 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'C' and resid 776 through 779 No H-bonds generated for sheet with id= 35 Processing sheet with id= 36, first strand: chain 'C' and resid 849 through 853 removed outlier: 6.424A pdb=" N VAL C1212 " --> pdb=" O VAL C1108 " (cutoff:3.500A) removed outlier: 4.758A pdb=" N GLY C1099 " --> pdb=" O MET C1168 " (cutoff:3.500A) removed outlier: 5.862A pdb=" N PHE C1105 " --> pdb=" O VAL C1162 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP C1160 " --> pdb=" O ALA C1107 " (cutoff:3.500A) removed outlier: 4.650A pdb=" N GLY C1163 " --> pdb=" O THR C1176 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N THR C1172 " --> pdb=" O ASP C1167 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'C' and resid 1148 through 1152 removed outlier: 3.595A pdb=" N GLY C1148 " --> pdb=" O HIS C1146 " (cutoff:3.500A) removed outlier: 5.369A pdb=" N ALA C1142 " --> pdb=" O TYR C1152 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ASP C1112 " --> pdb=" O GLY C1208 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N GLY C1208 " --> pdb=" O ASP C1112 " (cutoff:3.500A) removed outlier: 6.380A pdb=" N ILE C1087 " --> pdb=" O SER C1252 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'C' and resid 1268 through 1271 removed outlier: 4.357A pdb=" N GLU C1269 " --> pdb=" O PHE C1290 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N THR C1271 " --> pdb=" O LYS C1288 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N LYS C1288 " --> pdb=" O THR C1271 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'C' and resid 1307 through 1310 removed outlier: 4.741A pdb=" N THR C1537 " --> pdb=" O CYS C1310 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N LEU C1304 " --> pdb=" O PRO C1541 " (cutoff:3.500A) removed outlier: 4.523A pdb=" N ALA C1547 " --> pdb=" O ASP C1298 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N ASP C1298 " --> pdb=" O ALA C1547 " (cutoff:3.500A) removed outlier: 5.698A pdb=" N PHE C1301 " --> pdb=" O LEU C1595 " (cutoff:3.500A) removed outlier: 4.453A pdb=" N SER C1305 " --> pdb=" O LEU C1591 " (cutoff:3.500A) removed outlier: 6.587A pdb=" N LEU C1591 " --> pdb=" O SER C1305 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'C' and resid 1487 through 1490 Processing sheet with id= 41, first strand: chain 'C' and resid 1516 through 1521 removed outlier: 3.649A pdb=" N GLY C1504 " --> pdb=" O ILE C1432 " (cutoff:3.500A) removed outlier: 4.130A pdb=" N GLU C1506 " --> pdb=" O VAL C1430 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL C1430 " --> pdb=" O GLU C1506 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N TYR C1426 " --> pdb=" O VAL C1510 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'C' and resid 1726 through 1729 removed outlier: 3.558A pdb=" N MET C1729 " --> pdb=" O ILE C2109 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'C' and resid 4133 through 4140 removed outlier: 4.701A pdb=" N PHE C4133 " --> pdb=" O ILE C4153 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'C' and resid 1441 through 1445 Processing sheet with id= 45, first strand: chain 'E' and resid 19 through 23 removed outlier: 7.226A pdb=" N GLU E 19 " --> pdb=" O ILE E 217 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ALA E 215 " --> pdb=" O VAL E 21 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'E' and resid 34 through 39 No H-bonds generated for sheet with id= 46 Processing sheet with id= 47, first strand: chain 'E' and resid 67 through 70 removed outlier: 3.715A pdb=" N ARG E 122 " --> pdb=" O VAL E 68 " (cutoff:3.500A) removed outlier: 6.297A pdb=" N LEU E 120 " --> pdb=" O GLU E 70 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'E' and resid 161 through 164 Processing sheet with id= 49, first strand: chain 'E' and resid 193 through 196 Processing sheet with id= 50, first strand: chain 'E' and resid 244 through 247 Processing sheet with id= 51, first strand: chain 'E' and resid 306 through 309 removed outlier: 3.712A pdb=" N LEU E 315 " --> pdb=" O SER E 307 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N MET E 309 " --> pdb=" O SER E 313 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N SER E 313 " --> pdb=" O MET E 309 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'E' and resid 361 through 365 removed outlier: 8.079A pdb=" N LEU E 274 " --> pdb=" O VAL E 300 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N LEU E 234 " --> pdb=" O TRP E 275 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N ASP E 232 " --> pdb=" O LEU E 277 " (cutoff:3.500A) removed outlier: 6.716A pdb=" N VAL E 233 " --> pdb=" O SER E 408 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'E' and resid 371 through 375 removed outlier: 5.429A pdb=" N LYS E 390 " --> pdb=" O GLN E 375 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'E' and resid 647 through 650 Processing sheet with id= 55, first strand: chain 'E' and resid 652 through 656 removed outlier: 3.543A pdb=" N VAL E 791 " --> pdb=" O GLY E 696 " (cutoff:3.500A) removed outlier: 5.383A pdb=" N GLY E 696 " --> pdb=" O VAL E 791 " (cutoff:3.500A) removed outlier: 4.160A pdb=" N HIS E 692 " --> pdb=" O SER E 795 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'E' and resid 671 through 680 removed outlier: 4.837A pdb=" N LYS E 671 " --> pdb=" O LEU E 761 " (cutoff:3.500A) removed outlier: 4.587A pdb=" N LEU E 761 " --> pdb=" O LYS E 671 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ASP E 753 " --> pdb=" O VAL E 679 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'E' and resid 776 through 779 No H-bonds generated for sheet with id= 57 Processing sheet with id= 58, first strand: chain 'E' and resid 849 through 853 removed outlier: 6.424A pdb=" N VAL E1212 " --> pdb=" O VAL E1108 " (cutoff:3.500A) removed outlier: 4.759A pdb=" N GLY E1099 " --> pdb=" O MET E1168 " (cutoff:3.500A) removed outlier: 5.862A pdb=" N PHE E1105 " --> pdb=" O VAL E1162 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP E1160 " --> pdb=" O ALA E1107 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N GLY E1163 " --> pdb=" O THR E1176 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N THR E1172 " --> pdb=" O ASP E1167 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'E' and resid 1148 through 1152 removed outlier: 3.596A pdb=" N GLY E1148 " --> pdb=" O HIS E1146 " (cutoff:3.500A) removed outlier: 5.369A pdb=" N ALA E1142 " --> pdb=" O TYR E1152 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N ASP E1112 " --> pdb=" O GLY E1208 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N GLY E1208 " --> pdb=" O ASP E1112 " (cutoff:3.500A) removed outlier: 6.380A pdb=" N ILE E1087 " --> pdb=" O SER E1252 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'E' and resid 1268 through 1271 removed outlier: 4.357A pdb=" N GLU E1269 " --> pdb=" O PHE E1290 " (cutoff:3.500A) removed outlier: 5.500A pdb=" N THR E1271 " --> pdb=" O LYS E1288 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N LYS E1288 " --> pdb=" O THR E1271 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'E' and resid 1307 through 1310 removed outlier: 4.741A pdb=" N THR E1537 " --> pdb=" O CYS E1310 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N LEU E1304 " --> pdb=" O PRO E1541 " (cutoff:3.500A) removed outlier: 4.523A pdb=" N ALA E1547 " --> pdb=" O ASP E1298 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N ASP E1298 " --> pdb=" O ALA E1547 " (cutoff:3.500A) removed outlier: 5.698A pdb=" N PHE E1301 " --> pdb=" O LEU E1595 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N SER E1305 " --> pdb=" O LEU E1591 " (cutoff:3.500A) removed outlier: 6.588A pdb=" N LEU E1591 " --> pdb=" O SER E1305 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'E' and resid 1487 through 1490 Processing sheet with id= 63, first strand: chain 'E' and resid 1516 through 1521 removed outlier: 3.649A pdb=" N GLY E1504 " --> pdb=" O ILE E1432 " (cutoff:3.500A) removed outlier: 4.130A pdb=" N GLU E1506 " --> pdb=" O VAL E1430 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL E1430 " --> pdb=" O GLU E1506 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N TYR E1426 " --> pdb=" O VAL E1510 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'E' and resid 1726 through 1729 removed outlier: 3.558A pdb=" N MET E1729 " --> pdb=" O ILE E2109 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'E' and resid 4133 through 4140 removed outlier: 4.701A pdb=" N PHE E4133 " --> pdb=" O ILE E4153 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'E' and resid 1441 through 1445 Processing sheet with id= 67, first strand: chain 'G' and resid 19 through 23 removed outlier: 7.226A pdb=" N GLU G 19 " --> pdb=" O ILE G 217 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ALA G 215 " --> pdb=" O VAL G 21 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'G' and resid 34 through 39 No H-bonds generated for sheet with id= 68 Processing sheet with id= 69, first strand: chain 'G' and resid 67 through 70 removed outlier: 3.715A pdb=" N ARG G 122 " --> pdb=" O VAL G 68 " (cutoff:3.500A) removed outlier: 6.297A pdb=" N LEU G 120 " --> pdb=" O GLU G 70 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'G' and resid 161 through 164 Processing sheet with id= 71, first strand: chain 'G' and resid 193 through 196 Processing sheet with id= 72, first strand: chain 'G' and resid 244 through 247 Processing sheet with id= 73, first strand: chain 'G' and resid 306 through 309 removed outlier: 3.712A pdb=" N LEU G 315 " --> pdb=" O SER G 307 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N MET G 309 " --> pdb=" O SER G 313 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N SER G 313 " --> pdb=" O MET G 309 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'G' and resid 361 through 365 removed outlier: 8.079A pdb=" N LEU G 274 " --> pdb=" O VAL G 300 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N LEU G 234 " --> pdb=" O TRP G 275 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N ASP G 232 " --> pdb=" O LEU G 277 " (cutoff:3.500A) removed outlier: 6.716A pdb=" N VAL G 233 " --> pdb=" O SER G 408 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'G' and resid 371 through 375 removed outlier: 5.429A pdb=" N LYS G 390 " --> pdb=" O GLN G 375 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'G' and resid 647 through 650 Processing sheet with id= 77, first strand: chain 'G' and resid 652 through 656 removed outlier: 3.542A pdb=" N VAL G 791 " --> pdb=" O GLY G 696 " (cutoff:3.500A) removed outlier: 5.383A pdb=" N GLY G 696 " --> pdb=" O VAL G 791 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N HIS G 692 " --> pdb=" O SER G 795 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'G' and resid 671 through 680 removed outlier: 4.837A pdb=" N LYS G 671 " --> pdb=" O LEU G 761 " (cutoff:3.500A) removed outlier: 4.587A pdb=" N LEU G 761 " --> pdb=" O LYS G 671 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ASP G 753 " --> pdb=" O VAL G 679 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'G' and resid 776 through 779 No H-bonds generated for sheet with id= 79 Processing sheet with id= 80, first strand: chain 'G' and resid 849 through 853 removed outlier: 6.424A pdb=" N VAL G1212 " --> pdb=" O VAL G1108 " (cutoff:3.500A) removed outlier: 4.759A pdb=" N GLY G1099 " --> pdb=" O MET G1168 " (cutoff:3.500A) removed outlier: 5.862A pdb=" N PHE G1105 " --> pdb=" O VAL G1162 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP G1160 " --> pdb=" O ALA G1107 " (cutoff:3.500A) removed outlier: 4.651A pdb=" N GLY G1163 " --> pdb=" O THR G1176 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N THR G1172 " --> pdb=" O ASP G1167 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'G' and resid 1148 through 1152 removed outlier: 3.595A pdb=" N GLY G1148 " --> pdb=" O HIS G1146 " (cutoff:3.500A) removed outlier: 5.370A pdb=" N ALA G1142 " --> pdb=" O TYR G1152 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ASP G1112 " --> pdb=" O GLY G1208 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N GLY G1208 " --> pdb=" O ASP G1112 " (cutoff:3.500A) removed outlier: 6.380A pdb=" N ILE G1087 " --> pdb=" O SER G1252 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'G' and resid 1268 through 1271 removed outlier: 4.357A pdb=" N GLU G1269 " --> pdb=" O PHE G1290 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N THR G1271 " --> pdb=" O LYS G1288 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N LYS G1288 " --> pdb=" O THR G1271 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'G' and resid 1307 through 1310 removed outlier: 4.742A pdb=" N THR G1537 " --> pdb=" O CYS G1310 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N LEU G1304 " --> pdb=" O PRO G1541 " (cutoff:3.500A) removed outlier: 4.523A pdb=" N ALA G1547 " --> pdb=" O ASP G1298 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N ASP G1298 " --> pdb=" O ALA G1547 " (cutoff:3.500A) removed outlier: 5.699A pdb=" N PHE G1301 " --> pdb=" O LEU G1595 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N SER G1305 " --> pdb=" O LEU G1591 " (cutoff:3.500A) removed outlier: 6.588A pdb=" N LEU G1591 " --> pdb=" O SER G1305 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'G' and resid 1487 through 1490 Processing sheet with id= 85, first strand: chain 'G' and resid 1516 through 1521 removed outlier: 3.649A pdb=" N GLY G1504 " --> pdb=" O ILE G1432 " (cutoff:3.500A) removed outlier: 4.130A pdb=" N GLU G1506 " --> pdb=" O VAL G1430 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL G1430 " --> pdb=" O GLU G1506 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N TYR G1426 " --> pdb=" O VAL G1510 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'G' and resid 1726 through 1729 removed outlier: 3.558A pdb=" N MET G1729 " --> pdb=" O ILE G2109 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'G' and resid 4133 through 4140 removed outlier: 4.701A pdb=" N PHE G4133 " --> pdb=" O ILE G4153 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'G' and resid 1441 through 1445 Processing sheet with id= 89, first strand: chain 'B' and resid 2 through 7 removed outlier: 5.337A pdb=" N GLU B 3 " --> pdb=" O THR B 75 " (cutoff:3.500A) removed outlier: 5.634A pdb=" N THR B 75 " --> pdb=" O GLU B 3 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N GLU B 5 " --> pdb=" O LYS B 73 " (cutoff:3.500A) removed outlier: 5.922A pdb=" N ARG B 71 " --> pdb=" O ILE B 7 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N VAL B 101 " --> pdb=" O ALA B 72 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N LEU B 97 " --> pdb=" O CYS B 76 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'D' and resid 2 through 7 removed outlier: 5.338A pdb=" N GLU D 3 " --> pdb=" O THR D 75 " (cutoff:3.500A) removed outlier: 5.633A pdb=" N THR D 75 " --> pdb=" O GLU D 3 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N GLU D 5 " --> pdb=" O LYS D 73 " (cutoff:3.500A) removed outlier: 5.922A pdb=" N ARG D 71 " --> pdb=" O ILE D 7 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N VAL D 101 " --> pdb=" O ALA D 72 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N LEU D 97 " --> pdb=" O CYS D 76 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'F' and resid 2 through 7 removed outlier: 5.338A pdb=" N GLU F 3 " --> pdb=" O THR F 75 " (cutoff:3.500A) removed outlier: 5.633A pdb=" N THR F 75 " --> pdb=" O GLU F 3 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N GLU F 5 " --> pdb=" O LYS F 73 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N ARG F 71 " --> pdb=" O ILE F 7 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N VAL F 101 " --> pdb=" O ALA F 72 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N LEU F 97 " --> pdb=" O CYS F 76 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'H' and resid 2 through 7 removed outlier: 5.337A pdb=" N GLU H 3 " --> pdb=" O THR H 75 " (cutoff:3.500A) removed outlier: 5.634A pdb=" N THR H 75 " --> pdb=" O GLU H 3 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N GLU H 5 " --> pdb=" O LYS H 73 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N ARG H 71 " --> pdb=" O ILE H 7 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N VAL H 101 " --> pdb=" O ALA H 72 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N LEU H 97 " --> pdb=" O CYS H 76 " (cutoff:3.500A) 5204 hydrogen bonds defined for protein. 15480 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: 57.29 Time building geometry restraints manager: 35.63 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.18 - 1.30: 18576 1.30 - 1.43: 29120 1.43 - 1.56: 62784 1.56 - 1.69: 16 1.69 - 1.82: 1032 Bond restraints: 111528 Sorted by residual: bond pdb=" C6 CFF G6002 " pdb=" N1 CFF G6002 " ideal model delta sigma weight residual 1.398 1.309 0.089 2.00e-02 2.50e+03 1.98e+01 bond pdb=" C6 CFF E6002 " pdb=" N1 CFF E6002 " ideal model delta sigma weight residual 1.398 1.309 0.089 2.00e-02 2.50e+03 1.98e+01 bond pdb=" C6 CFF A6002 " pdb=" N1 CFF A6002 " ideal model delta sigma weight residual 1.398 1.309 0.089 2.00e-02 2.50e+03 1.98e+01 bond pdb=" C6 CFF C6002 " pdb=" N1 CFF C6002 " ideal model delta sigma weight residual 1.398 1.310 0.088 2.00e-02 2.50e+03 1.95e+01 bond pdb=" CA TYR A 819 " pdb=" CB TYR A 819 " ideal model delta sigma weight residual 1.522 1.580 -0.058 1.32e-02 5.74e+03 1.91e+01 ... (remaining 111523 not shown) Histogram of bond angle deviations from ideal: 96.97 - 105.67: 2100 105.67 - 114.36: 65850 114.36 - 123.06: 74440 123.06 - 131.76: 8217 131.76 - 140.45: 221 Bond angle restraints: 150828 Sorted by residual: angle pdb=" N TYR A2039 " pdb=" CA TYR A2039 " pdb=" C TYR A2039 " ideal model delta sigma weight residual 112.47 123.96 -11.49 1.24e+00 6.50e-01 8.58e+01 angle pdb=" N TYR E2039 " pdb=" CA TYR E2039 " pdb=" C TYR E2039 " ideal model delta sigma weight residual 112.47 123.95 -11.48 1.24e+00 6.50e-01 8.57e+01 angle pdb=" N TYR G2039 " pdb=" CA TYR G2039 " pdb=" C TYR G2039 " ideal model delta sigma weight residual 112.47 123.92 -11.45 1.24e+00 6.50e-01 8.52e+01 angle pdb=" N TYR C2039 " pdb=" CA TYR C2039 " pdb=" C TYR C2039 " ideal model delta sigma weight residual 112.47 123.90 -11.43 1.24e+00 6.50e-01 8.49e+01 angle pdb=" C SER C 139 " pdb=" N THR C 140 " pdb=" CA THR C 140 " ideal model delta sigma weight residual 121.70 134.96 -13.26 1.80e+00 3.09e-01 5.43e+01 ... (remaining 150823 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 17.37: 56901 17.37 - 34.73: 7682 34.73 - 52.10: 1406 52.10 - 69.47: 351 69.47 - 86.83: 96 Dihedral angle restraints: 66436 sinusoidal: 25024 harmonic: 41412 Sorted by residual: dihedral pdb=" CA VAL A4596 " pdb=" C VAL A4596 " pdb=" N PRO A4597 " pdb=" CA PRO A4597 " ideal model delta harmonic sigma weight residual 180.00 -115.23 -64.77 0 5.00e+00 4.00e-02 1.68e+02 dihedral pdb=" CA VAL G4596 " pdb=" C VAL G4596 " pdb=" N PRO G4597 " pdb=" CA PRO G4597 " ideal model delta harmonic sigma weight residual -180.00 -115.26 -64.74 0 5.00e+00 4.00e-02 1.68e+02 dihedral pdb=" CA VAL C4596 " pdb=" C VAL C4596 " pdb=" N PRO C4597 " pdb=" CA PRO C4597 " ideal model delta harmonic sigma weight residual -180.00 -115.28 -64.72 0 5.00e+00 4.00e-02 1.68e+02 ... (remaining 66433 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.058: 11842 0.058 - 0.116: 4101 0.116 - 0.173: 859 0.173 - 0.231: 182 0.231 - 0.289: 32 Chirality restraints: 17016 Sorted by residual: chirality pdb=" CA VAL A 247 " pdb=" N VAL A 247 " pdb=" C VAL A 247 " pdb=" CB VAL A 247 " both_signs ideal model delta sigma weight residual False 2.44 2.73 -0.29 2.00e-01 2.50e+01 2.09e+00 chirality pdb=" CA VAL G 247 " pdb=" N VAL G 247 " pdb=" C VAL G 247 " pdb=" CB VAL G 247 " both_signs ideal model delta sigma weight residual False 2.44 2.73 -0.29 2.00e-01 2.50e+01 2.04e+00 chirality pdb=" CA VAL E 247 " pdb=" N VAL E 247 " pdb=" C VAL E 247 " pdb=" CB VAL E 247 " both_signs ideal model delta sigma weight residual False 2.44 2.73 -0.29 2.00e-01 2.50e+01 2.04e+00 ... (remaining 17013 not shown) Planarity restraints: 19408 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C VAL G4596 " 0.072 5.00e-02 4.00e+02 1.08e-01 1.86e+01 pdb=" N PRO G4597 " -0.186 5.00e-02 4.00e+02 pdb=" CA PRO G4597 " 0.059 5.00e-02 4.00e+02 pdb=" CD PRO G4597 " 0.056 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C VAL E4596 " 0.072 5.00e-02 4.00e+02 1.08e-01 1.85e+01 pdb=" N PRO E4597 " -0.186 5.00e-02 4.00e+02 pdb=" CA PRO E4597 " 0.059 5.00e-02 4.00e+02 pdb=" CD PRO E4597 " 0.056 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C VAL C4596 " 0.072 5.00e-02 4.00e+02 1.08e-01 1.85e+01 pdb=" N PRO C4597 " -0.186 5.00e-02 4.00e+02 pdb=" CA PRO C4597 " 0.059 5.00e-02 4.00e+02 pdb=" CD PRO C4597 " 0.056 5.00e-02 4.00e+02 ... (remaining 19405 not shown) Histogram of nonbonded interaction distances: 2.11 - 2.67: 4864 2.67 - 3.23: 114356 3.23 - 3.79: 210047 3.79 - 4.34: 251065 4.34 - 4.90: 372488 Nonbonded interactions: 952820 Sorted by model distance: nonbonded pdb=" N CYS C4892 " pdb="ZN ZN C6000 " model vdw 2.114 2.310 nonbonded pdb=" N CYS A4892 " pdb="ZN ZN A6000 " model vdw 2.115 2.310 nonbonded pdb=" N CYS G4892 " pdb="ZN ZN G6000 " model vdw 2.115 2.310 nonbonded pdb=" N CYS E4892 " pdb="ZN ZN E6000 " model vdw 2.115 2.310 nonbonded pdb=" OH TYR G4617 " pdb=" O GLY G4629 " model vdw 2.196 2.440 ... (remaining 952815 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 'A' selection = chain 'C' selection = chain 'E' selection = chain 'G' } ncs_group { reference = chain 'B' selection = chain 'D' selection = chain 'F' selection = chain 'H' } Set up NCS constraints Number of NCS constrained groups: 2 pdb_interpretation.ncs_group { reference = chain 'A' selection = chain 'C' selection = chain 'E' selection = chain 'G' } pdb_interpretation.ncs_group { reference = chain 'B' selection = chain 'D' selection = chain 'F' selection = chain 'H' } Set refine NCS operators NCS operators will be refined. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=0.99 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: 2.590 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.110 Extract box with map and model: 16.430 Check model and map are aligned: 1.220 Set scattering table: 0.760 Process input model: 257.020 Find NCS groups from input model: 4.980 Set up NCS constraints: 0.510 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.040 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:2.430 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 286.110 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8373 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 : 0.010 0.090 111528 Z= 0.640 Angle : 1.234 15.106 150828 Z= 0.669 Chirality : 0.061 0.289 17016 Planarity : 0.008 0.108 19408 Dihedral : 16.522 86.833 39580 Min Nonbonded Distance : 2.114 Molprobity Statistics. All-atom Clashscore : 19.26 Ramachandran Plot: Outliers : 0.29 % Allowed : 13.87 % Favored : 85.84 % Rotamer: Outliers : 1.44 % Allowed : 14.95 % Favored : 83.61 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.47 % Twisted Proline : 5.69 % Twisted General : 0.76 % 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: -4.27 (0.06), residues: 13844 helix: -1.98 (0.05), residues: 6552 sheet: -3.49 (0.12), residues: 1244 loop : -3.65 (0.07), residues: 6048 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.045 0.004 TRP C 275 HIS 0.018 0.004 HIS A4914 PHE 0.034 0.004 PHE E4021 TYR 0.027 0.004 TYR C3893 ARG 0.015 0.002 ARG A 122 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27688 Ramachandran restraints generated. 13844 Oldfield, 0 Emsley, 13844 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27688 Ramachandran restraints generated. 13844 Oldfield, 0 Emsley, 13844 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 185 residues out of total 3058 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 41 poor density : 144 time to evaluate : 2.329 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash Traceback (most recent call last): File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/build/../modules/phenix/phenix/command_line/real_space_refine.py", line 8, in run_program(real_space_refine.Program) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/iotbx/cli_parser.py", line 931, in run_program task.run() File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/programs/real_space_refine.py", line 191, in run log = self.logger) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/rsr/wrappers.py", line 58, in __init__ log = log) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 294, in __init__ self.caller(self.optimize_sidechains) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 312, in caller func() File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 600, in optimize_sidechains log = self.log) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 91, in __init__ rotatable_hd = self.rotatable_hd.select(g.master_iselection)) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 180, in run_one pdb_hierarchy = self.run_one_one(args=args) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 131, in run_one_one log = log) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/mmtbx/refinement/real_space/fit_residues.py", line 99, in __init__ self.loop(function = self.one_residue_iteration) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/mmtbx/refinement/real_space/fit_residues.py", line 209, in loop function(residue = residue) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/mmtbx/refinement/real_space/fit_residues.py", line 196, in one_residue_iteration log = self.log) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/mmtbx/refinement/real_space/fit_residue.py", line 172, in __init__ self.fit_proline() File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/mmtbx/refinement/real_space/fit_residue.py", line 217, in fit_proline for rotamer, sites_cart in rotamer_iterator: TypeError: 'NoneType' object is not iterable