Starting phenix.real_space_refine on Wed Mar 27 08:07:12 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ckc_30385/03_2024/7ckc_30385.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ckc_30385/03_2024/7ckc_30385.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.9 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ckc_30385/03_2024/7ckc_30385.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ckc_30385/03_2024/7ckc_30385.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ckc_30385/03_2024/7ckc_30385.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ckc_30385/03_2024/7ckc_30385.pdb" } resolution = 2.9 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= 0.002 sd= 0.011 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 840 5.16 5 C 94020 2.51 5 N 27600 2.21 5 O 27840 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "AA ASP 48": "OD1" <-> "OD2" Residue "BA GLU 32": "OE1" <-> "OE2" Residue "BA PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BA GLU 53": "OE1" <-> "OE2" Residue "BA ASP 73": "OD1" <-> "OD2" Residue "BA GLU 87": "OE1" <-> "OE2" Residue "BA GLU 89": "OE1" <-> "OE2" Residue "CA GLU 32": "OE1" <-> "OE2" Residue "CA PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CA GLU 87": "OE1" <-> "OE2" Residue "DA ASP 25": "OD1" <-> "OD2" Residue "DA PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DA GLU 53": "OE1" <-> "OE2" Residue "DA GLU 69": "OE1" <-> "OE2" Residue "DA ASP 73": "OD1" <-> "OD2" Residue "AB GLU 7": "OE1" <-> "OE2" Residue "AB GLU 29": "OE1" <-> "OE2" Residue "AB ASP 48": "OD1" <-> "OD2" Residue "AB ASP 70": "OD1" <-> "OD2" Residue "BB PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BB GLU 53": "OE1" <-> "OE2" Residue "BB ASP 73": "OD1" <-> "OD2" Residue "CB GLU 13": "OE1" <-> "OE2" Residue "CB ASP 25": "OD1" <-> "OD2" Residue "CB PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CB GLU 53": "OE1" <-> "OE2" Residue "CB ASP 73": "OD1" <-> "OD2" Residue "CB GLU 87": "OE1" <-> "OE2" Residue "CB GLU 89": "OE1" <-> "OE2" Residue "DB GLU 32": "OE1" <-> "OE2" Residue "DB PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DB GLU 53": "OE1" <-> "OE2" Residue "DB GLU 69": "OE1" <-> "OE2" Residue "DB ASP 73": "OD1" <-> "OD2" Residue "AC ASP 40": "OD1" <-> "OD2" Residue "AC ASP 48": "OD1" <-> "OD2" Residue "AC ASP 78": "OD1" <-> "OD2" Residue "BC GLU 13": "OE1" <-> "OE2" Residue "BC PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BC ASP 73": "OD1" <-> "OD2" Residue "BC GLU 89": "OE1" <-> "OE2" Residue "CC ASP 25": "OD1" <-> "OD2" Residue "CC PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CC GLU 89": "OE1" <-> "OE2" Residue "DC ASP 25": "OD1" <-> "OD2" Residue "DC GLU 32": "OE1" <-> "OE2" Residue "DC PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DC GLU 69": "OE1" <-> "OE2" Residue "DC ASP 73": "OD1" <-> "OD2" Residue "DC GLU 89": "OE1" <-> "OE2" Residue "AD GLU 7": "OE1" <-> "OE2" Residue "AD GLU 29": "OE1" <-> "OE2" Residue "AD ASP 48": "OD1" <-> "OD2" Residue "AD ASP 70": "OD1" <-> "OD2" Residue "AD ASP 78": "OD1" <-> "OD2" Residue "BD GLU 32": "OE1" <-> "OE2" Residue "BD PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BD TYR 45": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BD GLU 53": "OE1" <-> "OE2" Residue "BD ASP 73": "OD1" <-> "OD2" Residue "BD GLU 89": "OE1" <-> "OE2" Residue "CD ASP 25": "OD1" <-> "OD2" Residue "CD GLU 32": "OE1" <-> "OE2" Residue "CD PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CD GLU 89": "OE1" <-> "OE2" Residue "DD GLU 32": "OE1" <-> "OE2" Residue "DD ASP 73": "OD1" <-> "OD2" Residue "AE GLU 7": "OE1" <-> "OE2" Residue "AE ASP 18": "OD1" <-> "OD2" Residue "AE ASP 40": "OD1" <-> "OD2" Residue "AE ASP 48": "OD1" <-> "OD2" Residue "AE ASP 70": "OD1" <-> "OD2" Residue "BE GLU 32": "OE1" <-> "OE2" Residue "BE PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BE ASP 73": "OD1" <-> "OD2" Residue "CE ASP 25": "OD1" <-> "OD2" Residue "CE PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CE GLU 53": "OE1" <-> "OE2" Residue "CE ASP 73": "OD1" <-> "OD2" Residue "DE ASP 25": "OD1" <-> "OD2" Residue "DE GLU 32": "OE1" <-> "OE2" Residue "DE GLU 69": "OE1" <-> "OE2" Residue "AF ASP 48": "OD1" <-> "OD2" Residue "BF GLU 32": "OE1" <-> "OE2" Residue "BF PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BF ASP 73": "OD1" <-> "OD2" Residue "BF GLU 87": "OE1" <-> "OE2" Residue "BF GLU 89": "OE1" <-> "OE2" Residue "CF ASP 25": "OD1" <-> "OD2" Residue "CF GLU 32": "OE1" <-> "OE2" Residue "CF PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CF GLU 87": "OE1" <-> "OE2" Residue "DF ASP 25": "OD1" <-> "OD2" Residue "DF PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DF GLU 53": "OE1" <-> "OE2" Residue "DF GLU 69": "OE1" <-> "OE2" Residue "DF ASP 73": "OD1" <-> "OD2" Residue "AG GLU 7": "OE1" <-> "OE2" Residue "AG ASP 48": "OD1" <-> "OD2" Residue "AG ASP 70": "OD1" <-> "OD2" Residue "AG ASP 78": "OD1" <-> "OD2" Residue "BG GLU 53": "OE1" <-> "OE2" Residue "BG ASP 73": "OD1" <-> "OD2" Residue "CG GLU 13": "OE1" <-> "OE2" Residue "CG ASP 25": "OD1" <-> "OD2" Residue "CG PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CG GLU 53": "OE1" <-> "OE2" Residue "CG ASP 73": "OD1" <-> "OD2" Residue "DG GLU 32": "OE1" <-> "OE2" Residue "DG PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DG GLU 53": "OE1" <-> "OE2" Residue "DG GLU 69": "OE1" <-> "OE2" Residue "DG ASP 73": "OD1" <-> "OD2" Residue "AH GLU 7": "OE1" <-> "OE2" Residue "AH GLU 29": "OE1" <-> "OE2" Residue "AH ASP 70": "OD1" <-> "OD2" Residue "AH ASP 78": "OD1" <-> "OD2" Residue "BH GLU 13": "OE1" <-> "OE2" Residue "BH GLU 32": "OE1" <-> "OE2" Residue "BH PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BH ASP 73": "OD1" <-> "OD2" Residue "BH GLU 87": "OE1" <-> "OE2" Residue "CH ASP 25": "OD1" <-> "OD2" Residue "CH PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CH GLU 89": "OE1" <-> "OE2" Residue "DH ASP 25": "OD1" <-> "OD2" Residue "DH PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DH ASP 73": "OD1" <-> "OD2" Residue "AI GLU 7": "OE1" <-> "OE2" Residue "AI ASP 48": "OD1" <-> "OD2" Residue "AI TYR 67": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI ASP 70": "OD1" <-> "OD2" Residue "AI ASP 78": "OD1" <-> "OD2" Residue "BI GLU 32": "OE1" <-> "OE2" Residue "BI PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BI GLU 53": "OE1" <-> "OE2" Residue "BI ASP 73": "OD1" <-> "OD2" Residue "CI ASP 25": "OD1" <-> "OD2" Residue "CI GLU 32": "OE1" <-> "OE2" Residue "CI PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CI GLU 89": "OE1" <-> "OE2" Residue "DI GLU 53": "OE1" <-> "OE2" Residue "DI GLU 69": "OE1" <-> "OE2" Residue "DI ASP 73": "OD1" <-> "OD2" Residue "DI GLU 87": "OE1" <-> "OE2" Residue "AJ GLU 7": "OE1" <-> "OE2" Residue "AJ ASP 18": "OD1" <-> "OD2" Residue "AJ ASP 48": "OD1" <-> "OD2" Residue "AJ ASP 70": "OD1" <-> "OD2" Residue "BJ GLU 32": "OE1" <-> "OE2" Residue "BJ PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BJ ASP 73": "OD1" <-> "OD2" Residue "CJ ASP 25": "OD1" <-> "OD2" Residue "CJ PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CJ GLU 53": "OE1" <-> "OE2" Residue "CJ ASP 73": "OD1" <-> "OD2" Residue "DJ ASP 25": "OD1" <-> "OD2" Residue "DJ GLU 32": "OE1" <-> "OE2" Residue "DJ GLU 69": "OE1" <-> "OE2" Residue "AK GLU 29": "OE1" <-> "OE2" Residue "AK ASP 48": "OD1" <-> "OD2" Residue "AK ASP 78": "OD1" <-> "OD2" Residue "BK GLU 32": "OE1" <-> "OE2" Residue "BK PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BK ASP 73": "OD1" <-> "OD2" Residue "BK GLU 87": "OE1" <-> "OE2" Residue "CK GLU 32": "OE1" <-> "OE2" Residue "CK PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CK ASP 73": "OD1" <-> "OD2" Residue "CK GLU 87": "OE1" <-> "OE2" Residue "DK ASP 25": "OD1" <-> "OD2" Residue "DK GLU 32": "OE1" <-> "OE2" Residue "DK PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DK GLU 53": "OE1" <-> "OE2" Residue "DK GLU 69": "OE1" <-> "OE2" Residue "DK ASP 73": "OD1" <-> "OD2" Residue "DK GLU 87": "OE1" <-> "OE2" Residue "AL GLU 7": "OE1" <-> "OE2" Residue "AL ASP 48": "OD1" <-> "OD2" Residue "AL ASP 70": "OD1" <-> "OD2" Residue "AL ASP 78": "OD1" <-> "OD2" Residue "BL PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BL GLU 53": "OE1" <-> "OE2" Residue "BL ASP 73": "OD1" <-> "OD2" Residue "CL GLU 13": "OE1" <-> "OE2" Residue "CL GLU 53": "OE1" <-> "OE2" Residue "CL ASP 73": "OD1" <-> "OD2" Residue "CL GLU 89": "OE1" <-> "OE2" Residue "DL GLU 32": "OE1" <-> "OE2" Residue "DL PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DL GLU 53": "OE1" <-> "OE2" Residue "DL GLU 69": "OE1" <-> "OE2" Residue "DL ASP 73": "OD1" <-> "OD2" Residue "AM GLU 29": "OE1" <-> "OE2" Residue "AM ASP 70": "OD1" <-> "OD2" Residue "BM PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CM ASP 25": "OD1" <-> "OD2" Residue "CM PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DM ASP 25": "OD1" <-> "OD2" Residue "DM PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DM ASP 73": "OD1" <-> "OD2" Residue "DM GLU 87": "OE1" <-> "OE2" Residue "AN GLU 7": "OE1" <-> "OE2" Residue "AN ASP 48": "OD1" <-> "OD2" Residue "AN ASP 70": "OD1" <-> "OD2" Residue "AN ASP 78": "OD1" <-> "OD2" Residue "BN GLU 32": "OE1" <-> "OE2" Residue "BN PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BN GLU 53": "OE1" <-> "OE2" Residue "BN ASP 73": "OD1" <-> "OD2" Residue "BN GLU 87": "OE1" <-> "OE2" Residue "BN GLU 89": "OE1" <-> "OE2" Residue "CN ASP 25": "OD1" <-> "OD2" Residue "CN GLU 32": "OE1" <-> "OE2" Residue "CN PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CN GLU 89": "OE1" <-> "OE2" Residue "DN GLU 53": "OE1" <-> "OE2" Residue "DN GLU 69": "OE1" <-> "OE2" Residue "DN GLU 87": "OE1" <-> "OE2" Residue "AO GLU 7": "OE1" <-> "OE2" Residue "AO ASP 18": "OD1" <-> "OD2" Residue "AO ASP 48": "OD1" <-> "OD2" Residue "AO ASP 70": "OD1" <-> "OD2" Residue "BO GLU 32": "OE1" <-> "OE2" Residue "BO PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BO ASP 73": "OD1" <-> "OD2" Residue "CO ASP 25": "OD1" <-> "OD2" Residue "CO PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CO GLU 53": "OE1" <-> "OE2" Residue "CO ASP 73": "OD1" <-> "OD2" Residue "CO GLU 89": "OE1" <-> "OE2" Residue "DO ASP 25": "OD1" <-> "OD2" Residue "DO GLU 32": "OE1" <-> "OE2" Residue "DO PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DO GLU 69": "OE1" <-> "OE2" Residue "DO ASP 73": "OD1" <-> "OD2" Residue "AP ASP 48": "OD1" <-> "OD2" Residue "BP GLU 32": "OE1" <-> "OE2" Residue "BP PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BP GLU 53": "OE1" <-> "OE2" Residue "BP ASP 73": "OD1" <-> "OD2" Residue "BP GLU 87": "OE1" <-> "OE2" Residue "BP GLU 89": "OE1" <-> "OE2" Residue "CP GLU 32": "OE1" <-> "OE2" Residue "CP PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CP ASP 73": "OD1" <-> "OD2" Residue "CP GLU 87": "OE1" <-> "OE2" Residue "DP ASP 25": "OD1" <-> "OD2" Residue "DP GLU 32": "OE1" <-> "OE2" Residue "DP PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DP GLU 53": "OE1" <-> "OE2" Residue "DP GLU 69": "OE1" <-> "OE2" Residue "DP ASP 73": "OD1" <-> "OD2" Residue "DP GLU 87": "OE1" <-> "OE2" Residue "AQ GLU 7": "OE1" <-> "OE2" Residue "AQ ASP 48": "OD1" <-> "OD2" Residue "AQ ASP 70": "OD1" <-> "OD2" Residue "AQ ASP 78": "OD1" <-> "OD2" Residue "BQ GLU 53": "OE1" <-> "OE2" Residue "BQ ASP 73": "OD1" <-> "OD2" Residue "CQ GLU 13": "OE1" <-> "OE2" Residue "CQ ASP 25": "OD1" <-> "OD2" Residue "CQ PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CQ GLU 53": "OE1" <-> "OE2" Residue "CQ GLU 87": "OE1" <-> "OE2" Residue "CQ GLU 89": "OE1" <-> "OE2" Residue "DQ ASP 25": "OD1" <-> "OD2" Residue "DQ GLU 32": "OE1" <-> "OE2" Residue "DQ PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DQ GLU 53": "OE1" <-> "OE2" Residue "DQ ASP 73": "OD1" <-> "OD2" Residue "AR ASP 40": "OD1" <-> "OD2" Residue "AR ASP 48": "OD1" <-> "OD2" Residue "BR PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BR ASP 73": "OD1" <-> "OD2" Residue "CR ASP 25": "OD1" <-> "OD2" Residue "CR PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CR GLU 89": "OE1" <-> "OE2" Residue "DR ASP 25": "OD1" <-> "OD2" Residue "DR GLU 32": "OE1" <-> "OE2" Residue "DR PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DR GLU 69": "OE1" <-> "OE2" Residue "DR ASP 73": "OD1" <-> "OD2" Residue "DR GLU 89": "OE1" <-> "OE2" Residue "AS GLU 7": "OE1" <-> "OE2" Residue "AS ASP 48": "OD1" <-> "OD2" Residue "AS ASP 70": "OD1" <-> "OD2" Residue "AS ASP 78": "OD1" <-> "OD2" Residue "BS GLU 32": "OE1" <-> "OE2" Residue "BS PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BS GLU 53": "OE1" <-> "OE2" Residue "BS ASP 73": "OD1" <-> "OD2" Residue "CS ASP 25": "OD1" <-> "OD2" Residue "CS GLU 32": "OE1" <-> "OE2" Residue "CS PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CS GLU 89": "OE1" <-> "OE2" Residue "DS GLU 32": "OE1" <-> "OE2" Residue "DS GLU 53": "OE1" <-> "OE2" Residue "DS GLU 69": "OE1" <-> "OE2" Residue "DS ASP 73": "OD1" <-> "OD2" Residue "DS GLU 87": "OE1" <-> "OE2" Residue "AT GLU 7": "OE1" <-> "OE2" Residue "AT ASP 18": "OD1" <-> "OD2" Residue "AT ASP 48": "OD1" <-> "OD2" Residue "AT ASP 70": "OD1" <-> "OD2" Residue "BT GLU 32": "OE1" <-> "OE2" Residue "BT PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BT ASP 73": "OD1" <-> "OD2" Residue "CT ASP 25": "OD1" <-> "OD2" Residue "CT PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CT GLU 53": "OE1" <-> "OE2" Residue "CT ASP 73": "OD1" <-> "OD2" Residue "CT GLU 89": "OE1" <-> "OE2" Residue "DT ASP 25": "OD1" <-> "OD2" Residue "DT GLU 69": "OE1" <-> "OE2" Residue "AV GLU 29": "OE1" <-> "OE2" Residue "AV ASP 48": "OD1" <-> "OD2" Residue "AV ASP 70": "OD1" <-> "OD2" Residue "BV PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BV ASP 73": "OD1" <-> "OD2" Residue "BV GLU 87": "OE1" <-> "OE2" Residue "BV GLU 89": "OE1" <-> "OE2" Residue "CV GLU 32": "OE1" <-> "OE2" Residue "CV PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CV GLU 87": "OE1" <-> "OE2" Residue "DV ASP 25": "OD1" <-> "OD2" Residue "DV PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DV GLU 53": "OE1" <-> "OE2" Residue "DV GLU 69": "OE1" <-> "OE2" Residue "DV ASP 73": "OD1" <-> "OD2" Residue "AW GLU 7": "OE1" <-> "OE2" Residue "AW ASP 48": "OD1" <-> "OD2" Residue "AW ASP 70": "OD1" <-> "OD2" Residue "AW ASP 78": "OD1" <-> "OD2" Residue "BW GLU 32": "OE1" <-> "OE2" Residue "BW PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BW GLU 53": "OE1" <-> "OE2" Residue "BW ASP 73": "OD1" <-> "OD2" Residue "CW GLU 13": "OE1" <-> "OE2" Residue "CW ASP 25": "OD1" <-> "OD2" Residue "CW GLU 53": "OE1" <-> "OE2" Residue "CW ASP 73": "OD1" <-> "OD2" Residue "CW GLU 87": "OE1" <-> "OE2" Residue "DW GLU 32": "OE1" <-> "OE2" Residue "DW PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DW GLU 53": "OE1" <-> "OE2" Residue "DW GLU 69": "OE1" <-> "OE2" Residue "DW ASP 73": "OD1" <-> "OD2" Residue "AX ASP 40": "OD1" <-> "OD2" Residue "AX ASP 48": "OD1" <-> "OD2" Residue "AX ASP 78": "OD1" <-> "OD2" Residue "BX GLU 13": "OE1" <-> "OE2" Residue "BX PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BX ASP 73": "OD1" <-> "OD2" Residue "BX GLU 89": "OE1" <-> "OE2" Residue "CX ASP 25": "OD1" <-> "OD2" Residue "CX PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CX GLU 89": "OE1" <-> "OE2" Residue "DX ASP 25": "OD1" <-> "OD2" Residue "DX GLU 32": "OE1" <-> "OE2" Residue "DX PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DX GLU 87": "OE1" <-> "OE2" Residue "DX GLU 89": "OE1" <-> "OE2" Residue "AY GLU 7": "OE1" <-> "OE2" Residue "AY ASP 48": "OD1" <-> "OD2" Residue "BY PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BY GLU 53": "OE1" <-> "OE2" Residue "BY ASP 73": "OD1" <-> "OD2" Residue "BY GLU 87": "OE1" <-> "OE2" Residue "BY GLU 89": "OE1" <-> "OE2" Residue "CY ASP 25": "OD1" <-> "OD2" Residue "CY GLU 32": "OE1" <-> "OE2" Residue "CY PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CY GLU 89": "OE1" <-> "OE2" Residue "DY GLU 53": "OE1" <-> "OE2" Residue "DY ASP 73": "OD1" <-> "OD2" Residue "AZ GLU 7": "OE1" <-> "OE2" Residue "AZ ASP 18": "OD1" <-> "OD2" Residue "AZ ASP 48": "OD1" <-> "OD2" Residue "AZ ASP 70": "OD1" <-> "OD2" Residue "BZ PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BZ GLU 87": "OE1" <-> "OE2" Residue "BZ GLU 89": "OE1" <-> "OE2" Residue "CZ ASP 25": "OD1" <-> "OD2" Residue "CZ PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CZ GLU 53": "OE1" <-> "OE2" Residue "CZ ASP 73": "OD1" <-> "OD2" Residue "CZ GLU 87": "OE1" <-> "OE2" Residue "CZ GLU 89": "OE1" <-> "OE2" Residue "DZ GLU 32": "OE1" <-> "OE2" Residue "Aa ASP 48": "OD1" <-> "OD2" Residue "Ba PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Ba ASP 73": "OD1" <-> "OD2" Residue "Ba GLU 87": "OE1" <-> "OE2" Residue "Ba GLU 89": "OE1" <-> "OE2" Residue "Ca GLU 32": "OE1" <-> "OE2" Residue "Ca PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Ca GLU 87": "OE1" <-> "OE2" Residue "Da ASP 25": "OD1" <-> "OD2" Residue "Da PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Da GLU 53": "OE1" <-> "OE2" Residue "Da GLU 69": "OE1" <-> "OE2" Residue "Da ASP 73": "OD1" <-> "OD2" Residue "Ab GLU 7": "OE1" <-> "OE2" Residue "Ab GLU 29": "OE1" <-> "OE2" Residue "Ab ASP 48": "OD1" <-> "OD2" Residue "Ab ASP 70": "OD1" <-> "OD2" Residue "Ab ASP 78": "OD1" <-> "OD2" Residue "Bb GLU 53": "OE1" <-> "OE2" Residue "Bb ASP 73": "OD1" <-> "OD2" Residue "Bb GLU 87": "OE1" <-> "OE2" Residue "Cb GLU 13": "OE1" <-> "OE2" Residue "Cb GLU 53": "OE1" <-> "OE2" Residue "Cb GLU 89": "OE1" <-> "OE2" Residue "Db GLU 32": "OE1" <-> "OE2" Residue "Db PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Db GLU 53": "OE1" <-> "OE2" Residue "Db GLU 69": "OE1" <-> "OE2" Residue "Db ASP 73": "OD1" <-> "OD2" Residue "Ac GLU 29": "OE1" <-> "OE2" Residue "Ac ASP 40": "OD1" <-> "OD2" Residue "Ac ASP 48": "OD1" <-> "OD2" Residue "Bc GLU 32": "OE1" <-> "OE2" Residue "Bc PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bc ASP 73": "OD1" <-> "OD2" Residue "Cc ASP 25": "OD1" <-> "OD2" Residue "Cc PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cc GLU 89": "OE1" <-> "OE2" Residue "Dc ASP 25": "OD1" <-> "OD2" Residue "Dc GLU 32": "OE1" <-> "OE2" Residue "Dc PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dc GLU 69": "OE1" <-> "OE2" Residue "Dc ASP 73": "OD1" <-> "OD2" Residue "Ad GLU 7": "OE1" <-> "OE2" Residue "Ad ASP 48": "OD1" <-> "OD2" Residue "Ad TYR 67": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Ad ASP 70": "OD1" <-> "OD2" Residue "Ad ASP 78": "OD1" <-> "OD2" Residue "Bd GLU 32": "OE1" <-> "OE2" Residue "Bd PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bd GLU 53": "OE1" <-> "OE2" Residue "Bd ASP 73": "OD1" <-> "OD2" Residue "Bd GLU 87": "OE1" <-> "OE2" Residue "Cd ASP 25": "OD1" <-> "OD2" Residue "Cd GLU 32": "OE1" <-> "OE2" Residue "Cd PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cd GLU 89": "OE1" <-> "OE2" Residue "Dd GLU 32": "OE1" <-> "OE2" Residue "Dd GLU 53": "OE1" <-> "OE2" Residue "Dd GLU 69": "OE1" <-> "OE2" Residue "Dd GLU 87": "OE1" <-> "OE2" Residue "Ae GLU 7": "OE1" <-> "OE2" Residue "Ae ASP 18": "OD1" <-> "OD2" Residue "Ae ASP 48": "OD1" <-> "OD2" Residue "Ae ASP 70": "OD1" <-> "OD2" Residue "Be GLU 32": "OE1" <-> "OE2" Residue "Be PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Be ASP 73": "OD1" <-> "OD2" Residue "Ce ASP 25": "OD1" <-> "OD2" Residue "Ce PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Ce GLU 53": "OE1" <-> "OE2" Residue "Ce ASP 73": "OD1" <-> "OD2" Residue "Ce GLU 87": "OE1" <-> "OE2" Residue "Ce GLU 89": "OE1" <-> "OE2" Residue "De ASP 25": "OD1" <-> "OD2" Residue "De GLU 32": "OE1" <-> "OE2" Residue "De GLU 69": "OE1" <-> "OE2" Residue "Af GLU 29": "OE1" <-> "OE2" Residue "Af ASP 48": "OD1" <-> "OD2" Residue "Af ASP 70": "OD1" <-> "OD2" Residue "Bf GLU 32": "OE1" <-> "OE2" Residue "Bf PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bf ASP 73": "OD1" <-> "OD2" Residue "Bf GLU 87": "OE1" <-> "OE2" Residue "Cf GLU 32": "OE1" <-> "OE2" Residue "Cf PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cf ASP 73": "OD1" <-> "OD2" Residue "Cf GLU 87": "OE1" <-> "OE2" Residue "Df ASP 25": "OD1" <-> "OD2" Residue "Df PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Df GLU 53": "OE1" <-> "OE2" Residue "Df GLU 69": "OE1" <-> "OE2" Residue "Ag GLU 7": "OE1" <-> "OE2" Residue "Ag ASP 48": "OD1" <-> "OD2" Residue "Ag ASP 70": "OD1" <-> "OD2" Residue "Ag ASP 78": "OD1" <-> "OD2" Residue "Bg GLU 53": "OE1" <-> "OE2" Residue "Bg GLU 87": "OE1" <-> "OE2" Residue "Cg GLU 13": "OE1" <-> "OE2" Residue "Cg PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cg GLU 53": "OE1" <-> "OE2" Residue "Cg ASP 73": "OD1" <-> "OD2" Residue "Cg GLU 89": "OE1" <-> "OE2" Residue "Dg ASP 25": "OD1" <-> "OD2" Residue "Dg GLU 32": "OE1" <-> "OE2" Residue "Dg PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dg GLU 53": "OE1" <-> "OE2" Residue "Dg GLU 69": "OE1" <-> "OE2" Residue "Dg GLU 87": "OE1" <-> "OE2" Residue "Ah ASP 40": "OD1" <-> "OD2" Residue "Ah ASP 48": "OD1" <-> "OD2" Residue "Ah ASP 78": "OD1" <-> "OD2" Residue "Bh GLU 13": "OE1" <-> "OE2" Residue "Bh PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bh ASP 73": "OD1" <-> "OD2" Residue "Bh GLU 89": "OE1" <-> "OE2" Residue "Ch ASP 25": "OD1" <-> "OD2" Residue "Ch GLU 32": "OE1" <-> "OE2" Residue "Ch PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Ch GLU 89": "OE1" <-> "OE2" Residue "Dh ASP 25": "OD1" <-> "OD2" Residue "Dh GLU 32": "OE1" <-> "OE2" Residue "Dh PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dh GLU 69": "OE1" <-> "OE2" Residue "Dh GLU 87": "OE1" <-> "OE2" Residue "Ai GLU 7": "OE1" <-> "OE2" Residue "Ai ASP 48": "OD1" <-> "OD2" Residue "Bi GLU 32": "OE1" <-> "OE2" Residue "Bi PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bi GLU 53": "OE1" <-> "OE2" Residue "Bi ASP 73": "OD1" <-> "OD2" Residue "Ci ASP 25": "OD1" <-> "OD2" Residue "Ci GLU 32": "OE1" <-> "OE2" Residue "Ci PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Ci GLU 89": "OE1" <-> "OE2" Residue "Di ASP 73": "OD1" <-> "OD2" Residue "Aj GLU 7": "OE1" <-> "OE2" Residue "Aj ASP 18": "OD1" <-> "OD2" Residue "Aj ASP 48": "OD1" <-> "OD2" Residue "Aj ASP 70": "OD1" <-> "OD2" Residue "Bj PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cj ASP 25": "OD1" <-> "OD2" Residue "Cj PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cj GLU 53": "OE1" <-> "OE2" Residue "Cj ASP 73": "OD1" <-> "OD2" Residue "Cj GLU 87": "OE1" <-> "OE2" Residue "Cj GLU 89": "OE1" <-> "OE2" Residue "Dj ASP 25": "OD1" <-> "OD2" Residue "Dj GLU 32": "OE1" <-> "OE2" Residue "Dj GLU 69": "OE1" <-> "OE2" Residue "Ak ASP 48": "OD1" <-> "OD2" Residue "Bk GLU 32": "OE1" <-> "OE2" Residue "Bk PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bk GLU 53": "OE1" <-> "OE2" Residue "Bk ASP 73": "OD1" <-> "OD2" Residue "Bk GLU 87": "OE1" <-> "OE2" Residue "Bk GLU 89": "OE1" <-> "OE2" Residue "Ck GLU 32": "OE1" <-> "OE2" Residue "Ck PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Ck ASP 73": "OD1" <-> "OD2" Residue "Ck GLU 87": "OE1" <-> "OE2" Residue "Dk ASP 25": "OD1" <-> "OD2" Residue "Dk GLU 32": "OE1" <-> "OE2" Residue "Dk PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dk GLU 53": "OE1" <-> "OE2" Residue "Dk ASP 73": "OD1" <-> "OD2" Residue "Al GLU 7": "OE1" <-> "OE2" Residue "Al ASP 70": "OD1" <-> "OD2" Residue "Bl GLU 32": "OE1" <-> "OE2" Residue "Bl PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bl GLU 53": "OE1" <-> "OE2" Residue "Bl ASP 73": "OD1" <-> "OD2" Residue "Cl GLU 13": "OE1" <-> "OE2" Residue "Cl GLU 53": "OE1" <-> "OE2" Residue "Cl ASP 73": "OD1" <-> "OD2" Residue "Cl GLU 87": "OE1" <-> "OE2" Residue "Dl ASP 25": "OD1" <-> "OD2" Residue "Dl GLU 32": "OE1" <-> "OE2" Residue "Dl PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dl GLU 53": "OE1" <-> "OE2" Residue "Dl GLU 69": "OE1" <-> "OE2" Residue "Dl GLU 87": "OE1" <-> "OE2" Residue "Am GLU 29": "OE1" <-> "OE2" Residue "Am TYR 67": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bm GLU 13": "OE1" <-> "OE2" Residue "Bm PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bm GLU 89": "OE1" <-> "OE2" Residue "Cm ASP 25": "OD1" <-> "OD2" Residue "Cm PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cm GLU 89": "OE1" <-> "OE2" Residue "Dm ASP 25": "OD1" <-> "OD2" Residue "Dm GLU 32": "OE1" <-> "OE2" Residue "Dm PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dm GLU 69": "OE1" <-> "OE2" Residue "Dm ASP 73": "OD1" <-> "OD2" Residue "Dm GLU 89": "OE1" <-> "OE2" Residue "An GLU 7": "OE1" <-> "OE2" Residue "An ASP 48": "OD1" <-> "OD2" Residue "An ASP 70": "OD1" <-> "OD2" Residue "An ASP 78": "OD1" <-> "OD2" Residue "Bn GLU 32": "OE1" <-> "OE2" Residue "Bn PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bn GLU 53": "OE1" <-> "OE2" Residue "Bn ASP 73": "OD1" <-> "OD2" Residue "Cn GLU 32": "OE1" <-> "OE2" Residue "Cn ASP 73": "OD1" <-> "OD2" Residue "Cn GLU 89": "OE1" <-> "OE2" Residue "Dn GLU 53": "OE1" <-> "OE2" Residue "Dn GLU 87": "OE1" <-> "OE2" Residue "Ao GLU 7": "OE1" <-> "OE2" Residue "Ao ASP 18": "OD1" <-> "OD2" Residue "Ao ASP 48": "OD1" <-> "OD2" Residue "Ao ASP 70": "OD1" <-> "OD2" Residue "Bo PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bo ASP 73": "OD1" <-> "OD2" Residue "Co ASP 25": "OD1" <-> "OD2" Residue "Co PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Co GLU 53": "OE1" <-> "OE2" Residue "Co ASP 73": "OD1" <-> "OD2" Residue "Co GLU 89": "OE1" <-> "OE2" Residue "Do ASP 25": "OD1" <-> "OD2" Residue "Do GLU 32": "OE1" <-> "OE2" Residue "Do PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Do GLU 69": "OE1" <-> "OE2" Residue "Ap ASP 48": "OD1" <-> "OD2" Residue "Ap ASP 78": "OD1" <-> "OD2" Residue "Bp GLU 32": "OE1" <-> "OE2" Residue "Bp PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bp GLU 53": "OE1" <-> "OE2" Residue "Bp ASP 73": "OD1" <-> "OD2" Residue "Bp GLU 87": "OE1" <-> "OE2" Residue "Bp GLU 89": "OE1" <-> "OE2" Residue "Cp GLU 32": "OE1" <-> "OE2" Residue "Cp PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cp ASP 73": "OD1" <-> "OD2" Residue "Cp GLU 87": "OE1" <-> "OE2" Residue "Dp ASP 25": "OD1" <-> "OD2" Residue "Dp PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dp GLU 53": "OE1" <-> "OE2" Residue "Dp GLU 69": "OE1" <-> "OE2" Residue "Dp ASP 73": "OD1" <-> "OD2" Residue "Aq GLU 7": "OE1" <-> "OE2" Residue "Aq ASP 40": "OD1" <-> "OD2" Residue "Aq ASP 70": "OD1" <-> "OD2" Residue "Aq ASP 78": "OD1" <-> "OD2" Residue "Bq PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bq GLU 53": "OE1" <-> "OE2" Residue "Bq ASP 73": "OD1" <-> "OD2" Residue "Cq GLU 13": "OE1" <-> "OE2" Residue "Cq GLU 53": "OE1" <-> "OE2" Residue "Cq ASP 73": "OD1" <-> "OD2" Residue "Cq GLU 89": "OE1" <-> "OE2" Residue "Dq GLU 32": "OE1" <-> "OE2" Residue "Dq PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dq GLU 69": "OE1" <-> "OE2" Residue "Dq GLU 87": "OE1" <-> "OE2" Residue "Ar ASP 40": "OD1" <-> "OD2" Residue "Ar ASP 48": "OD1" <-> "OD2" Residue "Ar ASP 78": "OD1" <-> "OD2" Residue "Br PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Br ASP 73": "OD1" <-> "OD2" Residue "Br GLU 89": "OE1" <-> "OE2" Residue "Cr ASP 25": "OD1" <-> "OD2" Residue "Cr GLU 32": "OE1" <-> "OE2" Residue "Cr PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cr GLU 89": "OE1" <-> "OE2" Residue "Dr ASP 25": "OD1" <-> "OD2" Residue "Dr GLU 32": "OE1" <-> "OE2" Residue "Dr PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dr GLU 69": "OE1" <-> "OE2" Residue "Dr ASP 73": "OD1" <-> "OD2" Residue "As GLU 7": "OE1" <-> "OE2" Residue "As GLU 29": "OE1" <-> "OE2" Residue "As ASP 48": "OD1" <-> "OD2" Residue "As ASP 70": "OD1" <-> "OD2" Residue "Bs GLU 32": "OE1" <-> "OE2" Residue "Bs PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bs GLU 53": "OE1" <-> "OE2" Residue "Bs ASP 73": "OD1" <-> "OD2" Residue "Bs GLU 87": "OE1" <-> "OE2" Residue "Bs GLU 89": "OE1" <-> "OE2" Residue "Cs ASP 25": "OD1" <-> "OD2" Residue "Cs GLU 32": "OE1" <-> "OE2" Residue "Cs PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cs GLU 89": "OE1" <-> "OE2" Residue "Ds GLU 53": "OE1" <-> "OE2" Residue "Ds GLU 69": "OE1" <-> "OE2" Residue "Ds ASP 73": "OD1" <-> "OD2" Residue "Ds GLU 87": "OE1" <-> "OE2" Residue "At GLU 7": "OE1" <-> "OE2" Residue "At ASP 18": "OD1" <-> "OD2" Residue "At ASP 48": "OD1" <-> "OD2" Residue "At ASP 70": "OD1" <-> "OD2" Residue "Bt GLU 32": "OE1" <-> "OE2" Residue "Bt PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bt ASP 73": "OD1" <-> "OD2" Residue "Ct ASP 25": "OD1" <-> "OD2" Residue "Ct PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Ct GLU 53": "OE1" <-> "OE2" Residue "Ct ASP 73": "OD1" <-> "OD2" Residue "Ct GLU 89": "OE1" <-> "OE2" Residue "Dt ASP 25": "OD1" <-> "OD2" Residue "Dt GLU 32": "OE1" <-> "OE2" Residue "Av GLU 29": "OE1" <-> "OE2" Residue "Av ASP 48": "OD1" <-> "OD2" Residue "Bv GLU 32": "OE1" <-> "OE2" Residue "Bv PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bv GLU 53": "OE1" <-> "OE2" Residue "Bv ASP 73": "OD1" <-> "OD2" Residue "Bv GLU 87": "OE1" <-> "OE2" Residue "Bv GLU 89": "OE1" <-> "OE2" Residue "Cv GLU 32": "OE1" <-> "OE2" Residue "Cv PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cv GLU 87": "OE1" <-> "OE2" Residue "Dv ASP 25": "OD1" <-> "OD2" Residue "Dv PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dv GLU 53": "OE1" <-> "OE2" Residue "Dv GLU 69": "OE1" <-> "OE2" Residue "Dv ASP 73": "OD1" <-> "OD2" Residue "Dv GLU 87": "OE1" <-> "OE2" Residue "Aw GLU 7": "OE1" <-> "OE2" Residue "Aw ASP 48": "OD1" <-> "OD2" Residue "Aw ASP 70": "OD1" <-> "OD2" Residue "Aw ASP 78": "OD1" <-> "OD2" Residue "Bw PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bw GLU 53": "OE1" <-> "OE2" Residue "Bw ASP 73": "OD1" <-> "OD2" Residue "Cw GLU 13": "OE1" <-> "OE2" Residue "Cw PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cw GLU 53": "OE1" <-> "OE2" Residue "Cw ASP 73": "OD1" <-> "OD2" Residue "Cw GLU 89": "OE1" <-> "OE2" Residue "Dw PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dw ASP 73": "OD1" <-> "OD2" Residue "Dw GLU 87": "OE1" <-> "OE2" Residue "Ax GLU 29": "OE1" <-> "OE2" Residue "Ax ASP 40": "OD1" <-> "OD2" Residue "Ax ASP 48": "OD1" <-> "OD2" Residue "Ax ASP 78": "OD1" <-> "OD2" Residue "Bx GLU 13": "OE1" <-> "OE2" Residue "Bx PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bx ASP 73": "OD1" <-> "OD2" Residue "Bx GLU 89": "OE1" <-> "OE2" Residue "Cx ASP 25": "OD1" <-> "OD2" Residue "Cx PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cx GLU 89": "OE1" <-> "OE2" Residue "Dx ASP 25": "OD1" <-> "OD2" Residue "Dx GLU 32": "OE1" <-> "OE2" Residue "Dx PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Dx GLU 69": "OE1" <-> "OE2" Residue "Dx ASP 73": "OD1" <-> "OD2" Residue "Ay GLU 7": "OE1" <-> "OE2" Residue "Ay GLU 29": "OE1" <-> "OE2" Residue "Ay ASP 48": "OD1" <-> "OD2" Residue "By GLU 32": "OE1" <-> "OE2" Residue "By PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "By GLU 53": "OE1" <-> "OE2" Residue "By ASP 73": "OD1" <-> "OD2" Residue "Cy ASP 25": "OD1" <-> "OD2" Residue "Cy ASP 73": "OD1" <-> "OD2" Residue "Cy GLU 87": "OE1" <-> "OE2" Residue "Cy GLU 89": "OE1" <-> "OE2" Residue "Dy GLU 32": "OE1" <-> "OE2" Residue "Dy GLU 53": "OE1" <-> "OE2" Residue "Dy GLU 69": "OE1" <-> "OE2" Residue "Dy ASP 73": "OD1" <-> "OD2" Residue "Dy GLU 87": "OE1" <-> "OE2" Residue "Az GLU 7": "OE1" <-> "OE2" Residue "Az ASP 70": "OD1" <-> "OD2" Residue "Bz GLU 32": "OE1" <-> "OE2" Residue "Bz PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Bz ASP 73": "OD1" <-> "OD2" Residue "Cz ASP 25": "OD1" <-> "OD2" Residue "Cz PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Cz GLU 53": "OE1" <-> "OE2" Residue "Cz ASP 73": "OD1" <-> "OD2" Residue "Cz GLU 89": "OE1" <-> "OE2" Residue "Dz ASP 25": "OD1" <-> "OD2" Residue "Dz GLU 32": "OE1" <-> "OE2" Residue "A0 ASP 48": "OD1" <-> "OD2" Residue "B0 GLU 32": "OE1" <-> "OE2" Residue "B0 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B0 ASP 73": "OD1" <-> "OD2" Residue "B0 GLU 87": "OE1" <-> "OE2" Residue "B0 GLU 89": "OE1" <-> "OE2" Residue "C0 ASP 25": "OD1" <-> "OD2" Residue "C0 GLU 32": "OE1" <-> "OE2" Residue "C0 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C0 ASP 73": "OD1" <-> "OD2" Residue "C0 GLU 87": "OE1" <-> "OE2" Residue "D0 ASP 25": "OD1" <-> "OD2" Residue "D0 GLU 32": "OE1" <-> "OE2" Residue "D0 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D0 GLU 53": "OE1" <-> "OE2" Residue "D0 GLU 69": "OE1" <-> "OE2" Residue "D0 ASP 73": "OD1" <-> "OD2" Residue "D0 GLU 87": "OE1" <-> "OE2" Residue "A1 GLU 7": "OE1" <-> "OE2" Residue "A1 ASP 48": "OD1" <-> "OD2" Residue "A1 ASP 70": "OD1" <-> "OD2" Residue "A1 ASP 78": "OD1" <-> "OD2" Residue "B1 GLU 32": "OE1" <-> "OE2" Residue "B1 GLU 53": "OE1" <-> "OE2" Residue "B1 ASP 73": "OD1" <-> "OD2" Residue "C1 GLU 13": "OE1" <-> "OE2" Residue "C1 GLU 53": "OE1" <-> "OE2" Residue "C1 ASP 73": "OD1" <-> "OD2" Residue "C1 GLU 89": "OE1" <-> "OE2" Residue "D1 GLU 32": "OE1" <-> "OE2" Residue "D1 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D1 GLU 53": "OE1" <-> "OE2" Residue "D1 GLU 69": "OE1" <-> "OE2" Residue "D1 ASP 73": "OD1" <-> "OD2" Residue "A2 ASP 40": "OD1" <-> "OD2" Residue "A2 ASP 78": "OD1" <-> "OD2" Residue "B2 GLU 13": "OE1" <-> "OE2" Residue "B2 GLU 32": "OE1" <-> "OE2" Residue "B2 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C2 ASP 25": "OD1" <-> "OD2" Residue "C2 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C2 GLU 89": "OE1" <-> "OE2" Residue "D2 ASP 25": "OD1" <-> "OD2" Residue "D2 GLU 32": "OE1" <-> "OE2" Residue "D2 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D2 ASP 73": "OD1" <-> "OD2" Residue "D2 GLU 87": "OE1" <-> "OE2" Residue "A3 GLU 7": "OE1" <-> "OE2" Residue "A3 ASP 48": "OD1" <-> "OD2" Residue "B3 GLU 32": "OE1" <-> "OE2" Residue "B3 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B3 GLU 53": "OE1" <-> "OE2" Residue "B3 ASP 73": "OD1" <-> "OD2" Residue "C3 ASP 25": "OD1" <-> "OD2" Residue "C3 GLU 32": "OE1" <-> "OE2" Residue "C3 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C3 GLU 87": "OE1" <-> "OE2" Residue "C3 GLU 89": "OE1" <-> "OE2" Residue "D3 GLU 32": "OE1" <-> "OE2" Residue "D3 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D3 ASP 73": "OD1" <-> "OD2" Residue "A4 GLU 7": "OE1" <-> "OE2" Residue "A4 ASP 18": "OD1" <-> "OD2" Residue "A4 ASP 40": "OD1" <-> "OD2" Residue "A4 ASP 48": "OD1" <-> "OD2" Residue "A4 ASP 70": "OD1" <-> "OD2" Residue "B4 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B4 GLU 87": "OE1" <-> "OE2" Residue "C4 ASP 25": "OD1" <-> "OD2" Residue "C4 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C4 GLU 53": "OE1" <-> "OE2" Residue "C4 ASP 73": "OD1" <-> "OD2" Residue "C4 GLU 87": "OE1" <-> "OE2" Residue "C4 GLU 89": "OE1" <-> "OE2" Residue "D4 GLU 32": "OE1" <-> "OE2" Residue "D4 GLU 69": "OE1" <-> "OE2" Residue "A5 ASP 48": "OD1" <-> "OD2" Residue "B5 GLU 32": "OE1" <-> "OE2" Residue "B5 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B5 GLU 53": "OE1" <-> "OE2" Residue "B5 ASP 73": "OD1" <-> "OD2" Residue "B5 GLU 87": "OE1" <-> "OE2" Residue "B5 GLU 89": "OE1" <-> "OE2" Residue "C5 ASP 25": "OD1" <-> "OD2" Residue "C5 GLU 32": "OE1" <-> "OE2" Residue "C5 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C5 ASP 73": "OD1" <-> "OD2" Residue "C5 GLU 87": "OE1" <-> "OE2" Residue "D5 ASP 25": "OD1" <-> "OD2" Residue "D5 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D5 GLU 53": "OE1" <-> "OE2" Residue "D5 GLU 69": "OE1" <-> "OE2" Residue "D5 ASP 73": "OD1" <-> "OD2" Residue "A6 GLU 7": "OE1" <-> "OE2" Residue "A6 ASP 48": "OD1" <-> "OD2" Residue "A6 ASP 70": "OD1" <-> "OD2" Residue "A6 ASP 78": "OD1" <-> "OD2" Residue "B6 GLU 53": "OE1" <-> "OE2" Residue "B6 ASP 73": "OD1" <-> "OD2" Residue "B6 GLU 87": "OE1" <-> "OE2" Residue "C6 GLU 13": "OE1" <-> "OE2" Residue "C6 GLU 53": "OE1" <-> "OE2" Residue "C6 ASP 73": "OD1" <-> "OD2" Residue "C6 GLU 87": "OE1" <-> "OE2" Residue "C6 GLU 89": "OE1" <-> "OE2" Residue "D6 GLU 32": "OE1" <-> "OE2" Residue "D6 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D6 GLU 53": "OE1" <-> "OE2" Residue "D6 GLU 69": "OE1" <-> "OE2" Residue "D6 ASP 73": "OD1" <-> "OD2" Residue "A7 ASP 40": "OD1" <-> "OD2" Residue "A7 ASP 48": "OD1" <-> "OD2" Residue "B7 GLU 13": "OE1" <-> "OE2" Residue "B7 GLU 32": "OE1" <-> "OE2" Residue "B7 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C7 ASP 25": "OD1" <-> "OD2" Residue "C7 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C7 GLU 89": "OE1" <-> "OE2" Residue "D7 ASP 25": "OD1" <-> "OD2" Residue "D7 GLU 32": "OE1" <-> "OE2" Residue "D7 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D7 GLU 69": "OE1" <-> "OE2" Residue "D7 ASP 73": "OD1" <-> "OD2" Residue "A8 GLU 7": "OE1" <-> "OE2" Residue "A8 ASP 48": "OD1" <-> "OD2" Residue "B8 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B8 GLU 53": "OE1" <-> "OE2" Residue "B8 ASP 73": "OD1" <-> "OD2" Residue "C8 ASP 25": "OD1" <-> "OD2" Residue "C8 GLU 32": "OE1" <-> "OE2" Residue "C8 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C8 GLU 89": "OE1" <-> "OE2" Residue "D8 GLU 53": "OE1" <-> "OE2" Residue "D8 ASP 73": "OD1" <-> "OD2" Residue "D8 GLU 87": "OE1" <-> "OE2" Residue "A9 GLU 7": "OE1" <-> "OE2" Residue "A9 ASP 18": "OD1" <-> "OD2" Residue "A9 ASP 48": "OD1" <-> "OD2" Residue "A9 ASP 70": "OD1" <-> "OD2" Residue "B9 GLU 32": "OE1" <-> "OE2" Residue "B9 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B9 ASP 73": "OD1" <-> "OD2" Residue "C9 ASP 25": "OD1" <-> "OD2" Residue "C9 PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C9 GLU 53": "OE1" <-> "OE2" Residue "C9 ASP 73": "OD1" <-> "OD2" Residue "D9 ASP 25": "OD1" <-> "OD2" Residue "D9 GLU 32": "OE1" <-> "OE2" Time to flip residues: 0.39s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 150300 Number of models: 1 Model: "" Number of chains: 240 Chain: "AA" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BA" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CA" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DA" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AB" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BB" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CB" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DB" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AC" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BC" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CC" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DC" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AD" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BD" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CD" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DD" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AE" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BE" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CE" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DE" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AF" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BF" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CF" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DF" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AG" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BG" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CG" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DG" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AH" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BH" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CH" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DH" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AI" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BI" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CI" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DI" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AJ" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BJ" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CJ" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DJ" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AK" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BK" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CK" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DK" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AL" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BL" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CL" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DL" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AM" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BM" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CM" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DM" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AN" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BN" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CN" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DN" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AO" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BO" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CO" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DO" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AP" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BP" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CP" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DP" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AQ" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BQ" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CQ" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DQ" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AR" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BR" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CR" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DR" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AS" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BS" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CS" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DS" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AT" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BT" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CT" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DT" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AV" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BV" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CV" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DV" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AW" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BW" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CW" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DW" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AX" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BX" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CX" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DX" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AY" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BY" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CY" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DY" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "AZ" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "BZ" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "CZ" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "DZ" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Aa" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Ba" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ca" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Da" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ab" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bb" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cb" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Db" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ac" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bc" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cc" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dc" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ad" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bd" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cd" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dd" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ae" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Be" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ce" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "De" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Af" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bf" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cf" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Df" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ag" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bg" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cg" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dg" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ah" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bh" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ch" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dh" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ai" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bi" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ci" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Di" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Aj" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bj" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cj" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dj" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ak" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bk" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ck" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dk" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Al" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bl" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cl" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dl" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Am" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bm" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cm" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dm" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "An" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bn" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cn" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dn" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ao" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bo" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Co" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Do" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ap" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bp" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cp" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dp" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Aq" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bq" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cq" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dq" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ar" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Br" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cr" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dr" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "As" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bs" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cs" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ds" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "At" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bt" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ct" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dt" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Av" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bv" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cv" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dv" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Aw" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bw" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cw" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dw" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ax" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bx" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cx" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dx" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Ay" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "By" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cy" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dy" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Az" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "Bz" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Cz" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "Dz" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "A0" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "B0" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "C0" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "D0" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "A1" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "B1" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "C1" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "D1" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "A2" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "B2" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "C2" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "D2" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "A3" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "B3" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "C3" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "D3" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "A4" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "B4" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "C4" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "D4" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "A5" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "B5" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "C5" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "D5" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "A6" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "B6" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "C6" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "D6" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "A7" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "B7" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "C7" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "D7" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "A8" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "B8" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "C8" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "D8" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "A9" Number of atoms: 600 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 600 Classifications: {'peptide': 80} Link IDs: {'PTRANS': 5, 'TRANS': 74} Chain: "B9" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "C9" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Chain: "D9" Number of atoms: 635 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 635 Classifications: {'peptide': 89} Link IDs: {'PTRANS': 2, 'TRANS': 86} Time building chain proxies: 57.25, per 1000 atoms: 0.38 Number of scatterers: 150300 At special positions: 0 Unit cell: (253.7, 253.7, 252.84, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) S 840 16.00 O 27840 8.00 N 27600 7.00 C 94020 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: 45.54 Conformation dependent library (CDL) restraints added in 20.1 seconds 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 36480 Finding SS restraints... Secondary structure from input PDB file: 659 helices and 240 sheets defined 36.5% alpha, 30.9% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 12.10 Creating SS restraints... Processing helix chain 'AA' and resid 16 through 20 removed outlier: 3.783A pdb=" N GLYAA 20 " --> pdb=" O ALAAA 17 " (cutoff:3.500A) Processing helix chain 'AA' and resid 55 through 62 Processing helix chain 'BA' and resid 16 through 31 removed outlier: 3.865A pdb=" N ALABA 20 " --> pdb=" O GLYBA 16 " (cutoff:3.500A) Processing helix chain 'BA' and resid 53 through 69 Processing helix chain 'BA' and resid 87 through 91 Processing helix chain 'CA' and resid 17 through 31 Processing helix chain 'CA' and resid 53 through 69 Processing helix chain 'CA' and resid 85 through 90 removed outlier: 3.649A pdb=" N ASNCA 90 " --> pdb=" O GLUCA 87 " (cutoff:3.500A) Processing helix chain 'DA' and resid 16 through 31 removed outlier: 3.961A pdb=" N ALADA 20 " --> pdb=" O GLYDA 16 " (cutoff:3.500A) Processing helix chain 'DA' and resid 53 through 69 Processing helix chain 'DA' and resid 87 through 91 Processing helix chain 'AB' and resid 16 through 20 removed outlier: 3.726A pdb=" N GLYAB 20 " --> pdb=" O ALAAB 17 " (cutoff:3.500A) Processing helix chain 'AB' and resid 55 through 62 Processing helix chain 'BB' and resid 17 through 31 Processing helix chain 'BB' and resid 53 through 69 Processing helix chain 'BB' and resid 87 through 91 Processing helix chain 'CB' and resid 17 through 31 Processing helix chain 'CB' and resid 53 through 69 Processing helix chain 'CB' and resid 87 through 91 removed outlier: 3.514A pdb=" N ASNCB 90 " --> pdb=" O GLUCB 87 " (cutoff:3.500A) Processing helix chain 'DB' and resid 16 through 31 removed outlier: 3.933A pdb=" N ALADB 20 " --> pdb=" O GLYDB 16 " (cutoff:3.500A) Processing helix chain 'DB' and resid 53 through 69 Processing helix chain 'DB' and resid 87 through 91 Processing helix chain 'AC' and resid 16 through 20 removed outlier: 3.776A pdb=" N GLYAC 20 " --> pdb=" O ALAAC 17 " (cutoff:3.500A) Processing helix chain 'AC' and resid 55 through 62 Processing helix chain 'BC' and resid 16 through 31 removed outlier: 3.916A pdb=" N ALABC 20 " --> pdb=" O GLYBC 16 " (cutoff:3.500A) Processing helix chain 'BC' and resid 53 through 69 Processing helix chain 'BC' and resid 87 through 91 Processing helix chain 'CC' and resid 16 through 31 removed outlier: 3.977A pdb=" N ALACC 20 " --> pdb=" O GLYCC 16 " (cutoff:3.500A) Processing helix chain 'CC' and resid 53 through 69 Processing helix chain 'CC' and resid 87 through 92 removed outlier: 4.418A pdb=" N ILECC 91 " --> pdb=" O GLUCC 87 " (cutoff:3.500A) Processing helix chain 'DC' and resid 16 through 31 removed outlier: 4.016A pdb=" N ALADC 20 " --> pdb=" O GLYDC 16 " (cutoff:3.500A) Processing helix chain 'DC' and resid 53 through 69 Processing helix chain 'DC' and resid 87 through 91 Processing helix chain 'AD' and resid 16 through 20 removed outlier: 3.833A pdb=" N GLYAD 20 " --> pdb=" O ALAAD 17 " (cutoff:3.500A) Processing helix chain 'AD' and resid 55 through 62 Processing helix chain 'BD' and resid 17 through 31 Processing helix chain 'BD' and resid 53 through 69 Processing helix chain 'BD' and resid 87 through 91 Processing helix chain 'CD' and resid 16 through 31 removed outlier: 3.898A pdb=" N ALACD 20 " --> pdb=" O GLYCD 16 " (cutoff:3.500A) Processing helix chain 'CD' and resid 53 through 69 Processing helix chain 'CD' and resid 87 through 91 Processing helix chain 'DD' and resid 16 through 31 removed outlier: 3.939A pdb=" N ALADD 20 " --> pdb=" O GLYDD 16 " (cutoff:3.500A) Processing helix chain 'DD' and resid 53 through 69 Processing helix chain 'DD' and resid 87 through 91 Processing helix chain 'AE' and resid 16 through 20 removed outlier: 3.820A pdb=" N GLYAE 20 " --> pdb=" O ALAAE 17 " (cutoff:3.500A) Processing helix chain 'AE' and resid 55 through 62 Processing helix chain 'BE' and resid 16 through 31 removed outlier: 3.917A pdb=" N ALABE 20 " --> pdb=" O GLYBE 16 " (cutoff:3.500A) Processing helix chain 'BE' and resid 53 through 69 Processing helix chain 'BE' and resid 87 through 91 Processing helix chain 'CE' and resid 17 through 31 Processing helix chain 'CE' and resid 53 through 69 Processing helix chain 'CE' and resid 87 through 92 removed outlier: 4.348A pdb=" N ILECE 91 " --> pdb=" O GLUCE 87 " (cutoff:3.500A) Processing helix chain 'DE' and resid 16 through 31 removed outlier: 3.960A pdb=" N ALADE 20 " --> pdb=" O GLYDE 16 " (cutoff:3.500A) Processing helix chain 'DE' and resid 53 through 69 Processing helix chain 'DE' and resid 87 through 91 Processing helix chain 'AF' and resid 16 through 20 removed outlier: 3.798A pdb=" N GLYAF 20 " --> pdb=" O ALAAF 17 " (cutoff:3.500A) Processing helix chain 'AF' and resid 55 through 62 Processing helix chain 'BF' and resid 16 through 31 removed outlier: 3.865A pdb=" N ALABF 20 " --> pdb=" O GLYBF 16 " (cutoff:3.500A) Processing helix chain 'BF' and resid 53 through 69 Processing helix chain 'BF' and resid 87 through 91 Processing helix chain 'CF' and resid 17 through 31 Processing helix chain 'CF' and resid 53 through 69 Processing helix chain 'CF' and resid 85 through 90 removed outlier: 3.665A pdb=" N ASNCF 90 " --> pdb=" O GLUCF 87 " (cutoff:3.500A) Processing helix chain 'DF' and resid 16 through 31 removed outlier: 3.961A pdb=" N ALADF 20 " --> pdb=" O GLYDF 16 " (cutoff:3.500A) Processing helix chain 'DF' and resid 53 through 69 Processing helix chain 'DF' and resid 87 through 91 Processing helix chain 'AG' and resid 16 through 20 removed outlier: 3.736A pdb=" N GLYAG 20 " --> pdb=" O ALAAG 17 " (cutoff:3.500A) Processing helix chain 'AG' and resid 55 through 62 Processing helix chain 'BG' and resid 17 through 31 Processing helix chain 'BG' and resid 53 through 69 Processing helix chain 'BG' and resid 87 through 91 Processing helix chain 'CG' and resid 17 through 31 Processing helix chain 'CG' and resid 53 through 69 Processing helix chain 'CG' and resid 87 through 91 removed outlier: 3.513A pdb=" N ASNCG 90 " --> pdb=" O GLUCG 87 " (cutoff:3.500A) Processing helix chain 'DG' and resid 16 through 31 removed outlier: 3.933A pdb=" N ALADG 20 " --> pdb=" O GLYDG 16 " (cutoff:3.500A) Processing helix chain 'DG' and resid 53 through 69 Processing helix chain 'DG' and resid 87 through 91 Processing helix chain 'AH' and resid 16 through 20 removed outlier: 3.798A pdb=" N GLYAH 20 " --> pdb=" O ALAAH 17 " (cutoff:3.500A) Processing helix chain 'AH' and resid 55 through 62 Processing helix chain 'BH' and resid 16 through 31 removed outlier: 3.917A pdb=" N ALABH 20 " --> pdb=" O GLYBH 16 " (cutoff:3.500A) Processing helix chain 'BH' and resid 53 through 69 Processing helix chain 'BH' and resid 87 through 91 Processing helix chain 'CH' and resid 16 through 31 removed outlier: 3.976A pdb=" N ALACH 20 " --> pdb=" O GLYCH 16 " (cutoff:3.500A) Processing helix chain 'CH' and resid 53 through 69 Processing helix chain 'CH' and resid 87 through 92 removed outlier: 4.415A pdb=" N ILECH 91 " --> pdb=" O GLUCH 87 " (cutoff:3.500A) Processing helix chain 'DH' and resid 16 through 31 removed outlier: 4.026A pdb=" N ALADH 20 " --> pdb=" O GLYDH 16 " (cutoff:3.500A) Processing helix chain 'DH' and resid 53 through 69 Processing helix chain 'DH' and resid 87 through 91 Processing helix chain 'AI' and resid 16 through 20 removed outlier: 3.818A pdb=" N GLYAI 20 " --> pdb=" O ALAAI 17 " (cutoff:3.500A) Processing helix chain 'AI' and resid 55 through 62 Processing helix chain 'BI' and resid 17 through 31 Processing helix chain 'BI' and resid 53 through 69 Processing helix chain 'BI' and resid 87 through 91 Processing helix chain 'CI' and resid 16 through 31 removed outlier: 3.898A pdb=" N ALACI 20 " --> pdb=" O GLYCI 16 " (cutoff:3.500A) Processing helix chain 'CI' and resid 53 through 69 Processing helix chain 'CI' and resid 87 through 91 Processing helix chain 'DI' and resid 16 through 31 removed outlier: 3.940A pdb=" N ALADI 20 " --> pdb=" O GLYDI 16 " (cutoff:3.500A) Processing helix chain 'DI' and resid 53 through 69 Processing helix chain 'DI' and resid 87 through 91 Processing helix chain 'AJ' and resid 16 through 20 removed outlier: 3.820A pdb=" N GLYAJ 20 " --> pdb=" O ALAAJ 17 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 55 through 62 Processing helix chain 'BJ' and resid 16 through 31 removed outlier: 3.905A pdb=" N ALABJ 20 " --> pdb=" O GLYBJ 16 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 53 through 69 Processing helix chain 'BJ' and resid 87 through 91 Processing helix chain 'CJ' and resid 17 through 31 Processing helix chain 'CJ' and resid 53 through 69 Processing helix chain 'CJ' and resid 87 through 92 removed outlier: 4.345A pdb=" N ILECJ 91 " --> pdb=" O GLUCJ 87 " (cutoff:3.500A) Processing helix chain 'DJ' and resid 16 through 31 removed outlier: 3.958A pdb=" N ALADJ 20 " --> pdb=" O GLYDJ 16 " (cutoff:3.500A) Processing helix chain 'DJ' and resid 53 through 69 Processing helix chain 'DJ' and resid 87 through 91 Processing helix chain 'AK' and resid 16 through 20 removed outlier: 3.786A pdb=" N GLYAK 20 " --> pdb=" O ALAAK 17 " (cutoff:3.500A) Processing helix chain 'AK' and resid 55 through 62 Processing helix chain 'BK' and resid 16 through 31 removed outlier: 3.865A pdb=" N ALABK 20 " --> pdb=" O GLYBK 16 " (cutoff:3.500A) Processing helix chain 'BK' and resid 53 through 69 Processing helix chain 'BK' and resid 87 through 91 Processing helix chain 'CK' and resid 17 through 31 Processing helix chain 'CK' and resid 53 through 69 Processing helix chain 'CK' and resid 85 through 90 removed outlier: 3.630A pdb=" N ASNCK 90 " --> pdb=" O GLUCK 87 " (cutoff:3.500A) Processing helix chain 'DK' and resid 16 through 31 removed outlier: 3.961A pdb=" N ALADK 20 " --> pdb=" O GLYDK 16 " (cutoff:3.500A) Processing helix chain 'DK' and resid 53 through 69 Processing helix chain 'DK' and resid 87 through 91 Processing helix chain 'AL' and resid 16 through 20 removed outlier: 3.726A pdb=" N GLYAL 20 " --> pdb=" O ALAAL 17 " (cutoff:3.500A) Processing helix chain 'AL' and resid 55 through 62 Processing helix chain 'BL' and resid 17 through 31 Processing helix chain 'BL' and resid 53 through 69 Processing helix chain 'BL' and resid 87 through 91 Processing helix chain 'CL' and resid 17 through 31 Processing helix chain 'CL' and resid 53 through 69 Processing helix chain 'CL' and resid 87 through 91 removed outlier: 3.515A pdb=" N ASNCL 90 " --> pdb=" O GLUCL 87 " (cutoff:3.500A) Processing helix chain 'DL' and resid 16 through 31 removed outlier: 3.933A pdb=" N ALADL 20 " --> pdb=" O GLYDL 16 " (cutoff:3.500A) Processing helix chain 'DL' and resid 53 through 69 Processing helix chain 'DL' and resid 87 through 91 Processing helix chain 'AM' and resid 16 through 20 removed outlier: 3.791A pdb=" N GLYAM 20 " --> pdb=" O ALAAM 17 " (cutoff:3.500A) Processing helix chain 'AM' and resid 55 through 62 Processing helix chain 'BM' and resid 16 through 31 removed outlier: 3.917A pdb=" N ALABM 20 " --> pdb=" O GLYBM 16 " (cutoff:3.500A) Processing helix chain 'BM' and resid 53 through 69 Processing helix chain 'BM' and resid 87 through 91 Processing helix chain 'CM' and resid 16 through 31 removed outlier: 3.977A pdb=" N ALACM 20 " --> pdb=" O GLYCM 16 " (cutoff:3.500A) Processing helix chain 'CM' and resid 53 through 69 Processing helix chain 'CM' and resid 87 through 91 Processing helix chain 'DM' and resid 16 through 31 removed outlier: 4.027A pdb=" N ALADM 20 " --> pdb=" O GLYDM 16 " (cutoff:3.500A) Processing helix chain 'DM' and resid 53 through 69 Processing helix chain 'DM' and resid 87 through 91 Processing helix chain 'AN' and resid 16 through 20 removed outlier: 3.817A pdb=" N GLYAN 20 " --> pdb=" O ALAAN 17 " (cutoff:3.500A) Processing helix chain 'AN' and resid 55 through 62 Processing helix chain 'BN' and resid 17 through 31 Processing helix chain 'BN' and resid 53 through 69 Processing helix chain 'BN' and resid 87 through 91 Processing helix chain 'CN' and resid 16 through 31 removed outlier: 3.898A pdb=" N ALACN 20 " --> pdb=" O GLYCN 16 " (cutoff:3.500A) Processing helix chain 'CN' and resid 53 through 69 Processing helix chain 'CN' and resid 87 through 91 Processing helix chain 'DN' and resid 16 through 31 removed outlier: 3.942A pdb=" N ALADN 20 " --> pdb=" O GLYDN 16 " (cutoff:3.500A) Processing helix chain 'DN' and resid 53 through 69 Processing helix chain 'DN' and resid 87 through 91 Processing helix chain 'AO' and resid 16 through 20 removed outlier: 3.820A pdb=" N GLYAO 20 " --> pdb=" O ALAAO 17 " (cutoff:3.500A) Processing helix chain 'AO' and resid 55 through 62 Processing helix chain 'BO' and resid 16 through 31 removed outlier: 3.917A pdb=" N ALABO 20 " --> pdb=" O GLYBO 16 " (cutoff:3.500A) Processing helix chain 'BO' and resid 53 through 69 Processing helix chain 'BO' and resid 87 through 91 Processing helix chain 'CO' and resid 17 through 31 Processing helix chain 'CO' and resid 53 through 69 Processing helix chain 'CO' and resid 87 through 92 removed outlier: 4.448A pdb=" N ILECO 91 " --> pdb=" O GLUCO 87 " (cutoff:3.500A) Processing helix chain 'DO' and resid 16 through 31 removed outlier: 3.969A pdb=" N ALADO 20 " --> pdb=" O GLYDO 16 " (cutoff:3.500A) Processing helix chain 'DO' and resid 53 through 69 Processing helix chain 'DO' and resid 87 through 91 Processing helix chain 'AP' and resid 16 through 20 removed outlier: 3.784A pdb=" N GLYAP 20 " --> pdb=" O ALAAP 17 " (cutoff:3.500A) Processing helix chain 'AP' and resid 55 through 62 Processing helix chain 'BP' and resid 16 through 31 removed outlier: 3.865A pdb=" N ALABP 20 " --> pdb=" O GLYBP 16 " (cutoff:3.500A) Processing helix chain 'BP' and resid 53 through 69 Processing helix chain 'BP' and resid 87 through 91 Processing helix chain 'CP' and resid 17 through 31 Processing helix chain 'CP' and resid 53 through 69 Processing helix chain 'CP' and resid 85 through 90 removed outlier: 3.631A pdb=" N ASNCP 90 " --> pdb=" O GLUCP 87 " (cutoff:3.500A) Processing helix chain 'DP' and resid 16 through 31 removed outlier: 3.960A pdb=" N ALADP 20 " --> pdb=" O GLYDP 16 " (cutoff:3.500A) Processing helix chain 'DP' and resid 53 through 69 Processing helix chain 'DP' and resid 87 through 91 Processing helix chain 'AQ' and resid 16 through 20 removed outlier: 3.723A pdb=" N GLYAQ 20 " --> pdb=" O ALAAQ 17 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 55 through 62 Processing helix chain 'BQ' and resid 16 through 31 removed outlier: 3.879A pdb=" N ALABQ 20 " --> pdb=" O GLYBQ 16 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 53 through 69 Processing helix chain 'BQ' and resid 87 through 91 Processing helix chain 'CQ' and resid 17 through 31 Processing helix chain 'CQ' and resid 53 through 69 Processing helix chain 'CQ' and resid 87 through 91 removed outlier: 3.568A pdb=" N ASNCQ 90 " --> pdb=" O GLUCQ 87 " (cutoff:3.500A) Processing helix chain 'DQ' and resid 16 through 31 removed outlier: 3.936A pdb=" N ALADQ 20 " --> pdb=" O GLYDQ 16 " (cutoff:3.500A) Processing helix chain 'DQ' and resid 53 through 69 Processing helix chain 'DQ' and resid 87 through 91 Processing helix chain 'AR' and resid 16 through 20 removed outlier: 3.803A pdb=" N GLYAR 20 " --> pdb=" O ALAAR 17 " (cutoff:3.500A) Processing helix chain 'AR' and resid 55 through 62 Processing helix chain 'BR' and resid 16 through 31 removed outlier: 3.932A pdb=" N ALABR 20 " --> pdb=" O GLYBR 16 " (cutoff:3.500A) Processing helix chain 'BR' and resid 53 through 69 Processing helix chain 'BR' and resid 87 through 91 Processing helix chain 'CR' and resid 16 through 31 removed outlier: 3.976A pdb=" N ALACR 20 " --> pdb=" O GLYCR 16 " (cutoff:3.500A) Processing helix chain 'CR' and resid 53 through 69 Processing helix chain 'CR' and resid 87 through 92 removed outlier: 4.418A pdb=" N ILECR 91 " --> pdb=" O GLUCR 87 " (cutoff:3.500A) Processing helix chain 'DR' and resid 16 through 31 removed outlier: 4.016A pdb=" N ALADR 20 " --> pdb=" O GLYDR 16 " (cutoff:3.500A) Processing helix chain 'DR' and resid 53 through 69 Processing helix chain 'DR' and resid 87 through 91 Processing helix chain 'AS' and resid 16 through 20 removed outlier: 3.830A pdb=" N GLYAS 20 " --> pdb=" O ALAAS 17 " (cutoff:3.500A) Processing helix chain 'AS' and resid 55 through 62 Processing helix chain 'BS' and resid 17 through 31 Processing helix chain 'BS' and resid 53 through 69 Processing helix chain 'BS' and resid 87 through 91 Processing helix chain 'CS' and resid 16 through 31 removed outlier: 3.900A pdb=" N ALACS 20 " --> pdb=" O GLYCS 16 " (cutoff:3.500A) Processing helix chain 'CS' and resid 53 through 69 Processing helix chain 'CS' and resid 87 through 91 Processing helix chain 'DS' and resid 16 through 31 removed outlier: 3.944A pdb=" N ALADS 20 " --> pdb=" O GLYDS 16 " (cutoff:3.500A) Processing helix chain 'DS' and resid 53 through 69 Processing helix chain 'DS' and resid 87 through 91 Processing helix chain 'AT' and resid 16 through 20 removed outlier: 3.820A pdb=" N GLYAT 20 " --> pdb=" O ALAAT 17 " (cutoff:3.500A) Processing helix chain 'AT' and resid 55 through 62 Processing helix chain 'BT' and resid 16 through 31 removed outlier: 3.917A pdb=" N ALABT 20 " --> pdb=" O GLYBT 16 " (cutoff:3.500A) Processing helix chain 'BT' and resid 53 through 69 Processing helix chain 'BT' and resid 87 through 91 Processing helix chain 'CT' and resid 17 through 31 Processing helix chain 'CT' and resid 53 through 69 Processing helix chain 'CT' and resid 87 through 92 removed outlier: 4.448A pdb=" N ILECT 91 " --> pdb=" O GLUCT 87 " (cutoff:3.500A) Processing helix chain 'DT' and resid 16 through 31 removed outlier: 3.960A pdb=" N ALADT 20 " --> pdb=" O GLYDT 16 " (cutoff:3.500A) Processing helix chain 'DT' and resid 53 through 69 Processing helix chain 'DT' and resid 87 through 91 Processing helix chain 'AV' and resid 16 through 20 removed outlier: 3.792A pdb=" N GLYAV 20 " --> pdb=" O ALAAV 17 " (cutoff:3.500A) Processing helix chain 'AV' and resid 55 through 62 Processing helix chain 'BV' and resid 16 through 31 removed outlier: 3.865A pdb=" N ALABV 20 " --> pdb=" O GLYBV 16 " (cutoff:3.500A) Processing helix chain 'BV' and resid 53 through 69 Processing helix chain 'BV' and resid 87 through 91 Processing helix chain 'CV' and resid 17 through 31 Processing helix chain 'CV' and resid 53 through 69 Processing helix chain 'CV' and resid 85 through 90 removed outlier: 3.648A pdb=" N ASNCV 90 " --> pdb=" O GLUCV 87 " (cutoff:3.500A) Processing helix chain 'DV' and resid 16 through 31 removed outlier: 3.961A pdb=" N ALADV 20 " --> pdb=" O GLYDV 16 " (cutoff:3.500A) Processing helix chain 'DV' and resid 53 through 69 Processing helix chain 'DV' and resid 87 through 91 Processing helix chain 'AW' and resid 16 through 20 removed outlier: 3.723A pdb=" N GLYAW 20 " --> pdb=" O ALAAW 17 " (cutoff:3.500A) Processing helix chain 'AW' and resid 55 through 62 Processing helix chain 'BW' and resid 17 through 31 Processing helix chain 'BW' and resid 53 through 69 Processing helix chain 'BW' and resid 87 through 91 Processing helix chain 'CW' and resid 17 through 31 Processing helix chain 'CW' and resid 53 through 69 Processing helix chain 'CW' and resid 87 through 91 removed outlier: 3.624A pdb=" N ASNCW 90 " --> pdb=" O GLUCW 87 " (cutoff:3.500A) Processing helix chain 'DW' and resid 16 through 31 removed outlier: 3.931A pdb=" N ALADW 20 " --> pdb=" O GLYDW 16 " (cutoff:3.500A) Processing helix chain 'DW' and resid 53 through 69 Processing helix chain 'DW' and resid 87 through 91 Processing helix chain 'AX' and resid 16 through 20 removed outlier: 3.792A pdb=" N GLYAX 20 " --> pdb=" O ALAAX 17 " (cutoff:3.500A) Processing helix chain 'AX' and resid 55 through 62 Processing helix chain 'BX' and resid 16 through 31 removed outlier: 3.916A pdb=" N ALABX 20 " --> pdb=" O GLYBX 16 " (cutoff:3.500A) Processing helix chain 'BX' and resid 53 through 69 Processing helix chain 'BX' and resid 87 through 91 Processing helix chain 'CX' and resid 16 through 31 removed outlier: 3.976A pdb=" N ALACX 20 " --> pdb=" O GLYCX 16 " (cutoff:3.500A) Processing helix chain 'CX' and resid 53 through 69 Processing helix chain 'CX' and resid 87 through 92 removed outlier: 4.418A pdb=" N ILECX 91 " --> pdb=" O GLUCX 87 " (cutoff:3.500A) Processing helix chain 'DX' and resid 16 through 31 removed outlier: 4.017A pdb=" N ALADX 20 " --> pdb=" O GLYDX 16 " (cutoff:3.500A) Processing helix chain 'DX' and resid 53 through 69 Processing helix chain 'DX' and resid 87 through 91 Processing helix chain 'AY' and resid 16 through 20 removed outlier: 3.837A pdb=" N GLYAY 20 " --> pdb=" O ALAAY 17 " (cutoff:3.500A) Processing helix chain 'AY' and resid 55 through 62 Processing helix chain 'BY' and resid 17 through 31 Processing helix chain 'BY' and resid 53 through 69 Processing helix chain 'BY' and resid 87 through 91 Processing helix chain 'CY' and resid 16 through 31 removed outlier: 3.898A pdb=" N ALACY 20 " --> pdb=" O GLYCY 16 " (cutoff:3.500A) Processing helix chain 'CY' and resid 53 through 69 Processing helix chain 'CY' and resid 87 through 91 Processing helix chain 'DY' and resid 16 through 31 removed outlier: 3.940A pdb=" N ALADY 20 " --> pdb=" O GLYDY 16 " (cutoff:3.500A) Processing helix chain 'DY' and resid 53 through 69 Processing helix chain 'DY' and resid 87 through 91 Processing helix chain 'AZ' and resid 16 through 20 removed outlier: 3.820A pdb=" N GLYAZ 20 " --> pdb=" O ALAAZ 17 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 55 through 62 Processing helix chain 'BZ' and resid 16 through 31 removed outlier: 3.919A pdb=" N ALABZ 20 " --> pdb=" O GLYBZ 16 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 53 through 69 Processing helix chain 'BZ' and resid 87 through 91 Processing helix chain 'CZ' and resid 17 through 31 Processing helix chain 'CZ' and resid 53 through 69 Processing helix chain 'CZ' and resid 87 through 92 removed outlier: 4.415A pdb=" N ILECZ 91 " --> pdb=" O GLUCZ 87 " (cutoff:3.500A) Processing helix chain 'DZ' and resid 16 through 31 removed outlier: 3.959A pdb=" N ALADZ 20 " --> pdb=" O GLYDZ 16 " (cutoff:3.500A) Processing helix chain 'DZ' and resid 53 through 69 Processing helix chain 'DZ' and resid 87 through 91 Processing helix chain 'Aa' and resid 16 through 20 removed outlier: 3.791A pdb=" N GLYAa 20 " --> pdb=" O ALAAa 17 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 55 through 62 Processing helix chain 'Ba' and resid 16 through 31 removed outlier: 3.865A pdb=" N ALABa 20 " --> pdb=" O GLYBa 16 " (cutoff:3.500A) Processing helix chain 'Ba' and resid 53 through 69 Processing helix chain 'Ba' and resid 87 through 91 Processing helix chain 'Ca' and resid 17 through 31 Processing helix chain 'Ca' and resid 53 through 69 Processing helix chain 'Ca' and resid 85 through 90 removed outlier: 3.630A pdb=" N ASNCa 90 " --> pdb=" O GLUCa 87 " (cutoff:3.500A) Processing helix chain 'Da' and resid 16 through 31 removed outlier: 3.961A pdb=" N ALADa 20 " --> pdb=" O GLYDa 16 " (cutoff:3.500A) Processing helix chain 'Da' and resid 53 through 69 Processing helix chain 'Da' and resid 87 through 91 Processing helix chain 'Ab' and resid 16 through 20 removed outlier: 3.721A pdb=" N GLYAb 20 " --> pdb=" O ALAAb 17 " (cutoff:3.500A) Processing helix chain 'Ab' and resid 55 through 62 Processing helix chain 'Bb' and resid 16 through 31 removed outlier: 3.879A pdb=" N ALABb 20 " --> pdb=" O GLYBb 16 " (cutoff:3.500A) Processing helix chain 'Bb' and resid 53 through 69 Processing helix chain 'Bb' and resid 87 through 91 Processing helix chain 'Cb' and resid 17 through 31 Processing helix chain 'Cb' and resid 53 through 69 Processing helix chain 'Cb' and resid 87 through 91 removed outlier: 3.518A pdb=" N ASNCb 90 " --> pdb=" O GLUCb 87 " (cutoff:3.500A) Processing helix chain 'Db' and resid 16 through 31 removed outlier: 3.935A pdb=" N ALADb 20 " --> pdb=" O GLYDb 16 " (cutoff:3.500A) Processing helix chain 'Db' and resid 53 through 69 Processing helix chain 'Db' and resid 87 through 91 Processing helix chain 'Ac' and resid 16 through 20 removed outlier: 3.780A pdb=" N GLYAc 20 " --> pdb=" O ALAAc 17 " (cutoff:3.500A) Processing helix chain 'Ac' and resid 55 through 62 Processing helix chain 'Bc' and resid 16 through 31 removed outlier: 3.933A pdb=" N ALABc 20 " --> pdb=" O GLYBc 16 " (cutoff:3.500A) Processing helix chain 'Bc' and resid 53 through 69 Processing helix chain 'Bc' and resid 87 through 91 Processing helix chain 'Cc' and resid 16 through 31 removed outlier: 3.977A pdb=" N ALACc 20 " --> pdb=" O GLYCc 16 " (cutoff:3.500A) Processing helix chain 'Cc' and resid 53 through 69 Processing helix chain 'Cc' and resid 87 through 92 removed outlier: 4.420A pdb=" N ILECc 91 " --> pdb=" O GLUCc 87 " (cutoff:3.500A) Processing helix chain 'Dc' and resid 16 through 31 removed outlier: 4.026A pdb=" N ALADc 20 " --> pdb=" O GLYDc 16 " (cutoff:3.500A) Processing helix chain 'Dc' and resid 53 through 69 Processing helix chain 'Dc' and resid 87 through 91 Processing helix chain 'Ad' and resid 16 through 20 removed outlier: 3.838A pdb=" N GLYAd 20 " --> pdb=" O ALAAd 17 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 55 through 62 Processing helix chain 'Bd' and resid 17 through 31 Processing helix chain 'Bd' and resid 53 through 69 Processing helix chain 'Bd' and resid 87 through 91 Processing helix chain 'Cd' and resid 16 through 31 removed outlier: 3.900A pdb=" N ALACd 20 " --> pdb=" O GLYCd 16 " (cutoff:3.500A) Processing helix chain 'Cd' and resid 53 through 69 Processing helix chain 'Cd' and resid 87 through 91 Processing helix chain 'Dd' and resid 16 through 31 removed outlier: 3.943A pdb=" N ALADd 20 " --> pdb=" O GLYDd 16 " (cutoff:3.500A) Processing helix chain 'Dd' and resid 53 through 69 Processing helix chain 'Dd' and resid 87 through 91 Processing helix chain 'Ae' and resid 16 through 20 removed outlier: 3.820A pdb=" N GLYAe 20 " --> pdb=" O ALAAe 17 " (cutoff:3.500A) Processing helix chain 'Ae' and resid 55 through 62 Processing helix chain 'Be' and resid 16 through 31 removed outlier: 3.918A pdb=" N ALABe 20 " --> pdb=" O GLYBe 16 " (cutoff:3.500A) Processing helix chain 'Be' and resid 53 through 69 Processing helix chain 'Be' and resid 87 through 91 Processing helix chain 'Ce' and resid 17 through 31 Processing helix chain 'Ce' and resid 53 through 69 Processing helix chain 'Ce' and resid 87 through 92 removed outlier: 4.415A pdb=" N ILECe 91 " --> pdb=" O GLUCe 87 " (cutoff:3.500A) Processing helix chain 'De' and resid 16 through 31 removed outlier: 3.960A pdb=" N ALADe 20 " --> pdb=" O GLYDe 16 " (cutoff:3.500A) Processing helix chain 'De' and resid 53 through 69 Processing helix chain 'De' and resid 87 through 91 Processing helix chain 'Af' and resid 16 through 20 removed outlier: 3.783A pdb=" N GLYAf 20 " --> pdb=" O ALAAf 17 " (cutoff:3.500A) Processing helix chain 'Af' and resid 55 through 62 Processing helix chain 'Bf' and resid 16 through 31 removed outlier: 3.865A pdb=" N ALABf 20 " --> pdb=" O GLYBf 16 " (cutoff:3.500A) Processing helix chain 'Bf' and resid 53 through 69 Processing helix chain 'Bf' and resid 87 through 91 Processing helix chain 'Cf' and resid 17 through 31 Processing helix chain 'Cf' and resid 53 through 69 Processing helix chain 'Cf' and resid 85 through 90 removed outlier: 3.647A pdb=" N ASNCf 90 " --> pdb=" O GLUCf 87 " (cutoff:3.500A) Processing helix chain 'Df' and resid 16 through 31 removed outlier: 3.964A pdb=" N ALADf 20 " --> pdb=" O GLYDf 16 " (cutoff:3.500A) Processing helix chain 'Df' and resid 53 through 69 Processing helix chain 'Df' and resid 87 through 91 Processing helix chain 'Ag' and resid 16 through 20 removed outlier: 3.723A pdb=" N GLYAg 20 " --> pdb=" O ALAAg 17 " (cutoff:3.500A) Processing helix chain 'Ag' and resid 55 through 62 Processing helix chain 'Bg' and resid 16 through 31 removed outlier: 3.878A pdb=" N ALABg 20 " --> pdb=" O GLYBg 16 " (cutoff:3.500A) Processing helix chain 'Bg' and resid 53 through 69 Processing helix chain 'Bg' and resid 87 through 91 Processing helix chain 'Cg' and resid 17 through 31 Processing helix chain 'Cg' and resid 53 through 69 Processing helix chain 'Cg' and resid 87 through 91 removed outlier: 3.513A pdb=" N ASNCg 90 " --> pdb=" O GLUCg 87 " (cutoff:3.500A) Processing helix chain 'Dg' and resid 16 through 31 removed outlier: 3.975A pdb=" N ALADg 20 " --> pdb=" O GLYDg 16 " (cutoff:3.500A) Processing helix chain 'Dg' and resid 53 through 69 Processing helix chain 'Dg' and resid 87 through 91 Processing helix chain 'Ah' and resid 16 through 20 removed outlier: 3.776A pdb=" N GLYAh 20 " --> pdb=" O ALAAh 17 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 55 through 62 Processing helix chain 'Bh' and resid 16 through 31 removed outlier: 3.916A pdb=" N ALABh 20 " --> pdb=" O GLYBh 16 " (cutoff:3.500A) Processing helix chain 'Bh' and resid 53 through 69 Processing helix chain 'Bh' and resid 87 through 91 Processing helix chain 'Ch' and resid 16 through 31 removed outlier: 3.976A pdb=" N ALACh 20 " --> pdb=" O GLYCh 16 " (cutoff:3.500A) Processing helix chain 'Ch' and resid 53 through 69 Processing helix chain 'Ch' and resid 87 through 92 removed outlier: 4.418A pdb=" N ILECh 91 " --> pdb=" O GLUCh 87 " (cutoff:3.500A) Processing helix chain 'Dh' and resid 16 through 31 removed outlier: 4.014A pdb=" N ALADh 20 " --> pdb=" O GLYDh 16 " (cutoff:3.500A) Processing helix chain 'Dh' and resid 53 through 69 Processing helix chain 'Dh' and resid 87 through 91 Processing helix chain 'Ai' and resid 16 through 20 removed outlier: 3.838A pdb=" N GLYAi 20 " --> pdb=" O ALAAi 17 " (cutoff:3.500A) Processing helix chain 'Ai' and resid 55 through 62 Processing helix chain 'Bi' and resid 17 through 31 Processing helix chain 'Bi' and resid 53 through 69 Processing helix chain 'Bi' and resid 87 through 91 Processing helix chain 'Ci' and resid 16 through 31 removed outlier: 3.899A pdb=" N ALACi 20 " --> pdb=" O GLYCi 16 " (cutoff:3.500A) Processing helix chain 'Ci' and resid 53 through 69 Processing helix chain 'Ci' and resid 87 through 91 Processing helix chain 'Di' and resid 16 through 31 removed outlier: 3.939A pdb=" N ALADi 20 " --> pdb=" O GLYDi 16 " (cutoff:3.500A) Processing helix chain 'Di' and resid 53 through 69 Processing helix chain 'Di' and resid 87 through 91 Processing helix chain 'Aj' and resid 16 through 20 removed outlier: 3.820A pdb=" N GLYAj 20 " --> pdb=" O ALAAj 17 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 55 through 62 Processing helix chain 'Bj' and resid 16 through 31 removed outlier: 3.917A pdb=" N ALABj 20 " --> pdb=" O GLYBj 16 " (cutoff:3.500A) Processing helix chain 'Bj' and resid 53 through 69 Processing helix chain 'Bj' and resid 87 through 91 Processing helix chain 'Cj' and resid 17 through 31 Processing helix chain 'Cj' and resid 53 through 69 Processing helix chain 'Dj' and resid 16 through 31 removed outlier: 3.960A pdb=" N ALADj 20 " --> pdb=" O GLYDj 16 " (cutoff:3.500A) Processing helix chain 'Dj' and resid 53 through 69 Processing helix chain 'Dj' and resid 87 through 91 Processing helix chain 'Ak' and resid 16 through 20 removed outlier: 3.785A pdb=" N GLYAk 20 " --> pdb=" O ALAAk 17 " (cutoff:3.500A) Processing helix chain 'Ak' and resid 55 through 62 Processing helix chain 'Bk' and resid 16 through 31 removed outlier: 3.865A pdb=" N ALABk 20 " --> pdb=" O GLYBk 16 " (cutoff:3.500A) Processing helix chain 'Bk' and resid 53 through 69 Processing helix chain 'Bk' and resid 87 through 91 Processing helix chain 'Ck' and resid 17 through 31 Processing helix chain 'Ck' and resid 53 through 69 Processing helix chain 'Ck' and resid 85 through 90 removed outlier: 3.648A pdb=" N ASNCk 90 " --> pdb=" O GLUCk 87 " (cutoff:3.500A) Processing helix chain 'Dk' and resid 16 through 31 removed outlier: 3.962A pdb=" N ALADk 20 " --> pdb=" O GLYDk 16 " (cutoff:3.500A) Processing helix chain 'Dk' and resid 53 through 69 Processing helix chain 'Dk' and resid 87 through 91 Processing helix chain 'Al' and resid 16 through 20 removed outlier: 3.725A pdb=" N GLYAl 20 " --> pdb=" O ALAAl 17 " (cutoff:3.500A) Processing helix chain 'Al' and resid 55 through 62 Processing helix chain 'Bl' and resid 17 through 31 Processing helix chain 'Bl' and resid 53 through 69 Processing helix chain 'Bl' and resid 87 through 91 Processing helix chain 'Cl' and resid 17 through 31 Processing helix chain 'Cl' and resid 53 through 69 Processing helix chain 'Cl' and resid 87 through 91 removed outlier: 3.536A pdb=" N ASNCl 90 " --> pdb=" O GLUCl 87 " (cutoff:3.500A) Processing helix chain 'Dl' and resid 16 through 31 removed outlier: 3.969A pdb=" N ALADl 20 " --> pdb=" O GLYDl 16 " (cutoff:3.500A) Processing helix chain 'Dl' and resid 53 through 69 Processing helix chain 'Dl' and resid 87 through 91 Processing helix chain 'Am' and resid 16 through 20 removed outlier: 3.791A pdb=" N GLYAm 20 " --> pdb=" O ALAAm 17 " (cutoff:3.500A) Processing helix chain 'Am' and resid 55 through 62 Processing helix chain 'Bm' and resid 16 through 31 removed outlier: 3.927A pdb=" N ALABm 20 " --> pdb=" O GLYBm 16 " (cutoff:3.500A) Processing helix chain 'Bm' and resid 53 through 69 Processing helix chain 'Bm' and resid 87 through 91 Processing helix chain 'Cm' and resid 16 through 31 removed outlier: 3.976A pdb=" N ALACm 20 " --> pdb=" O GLYCm 16 " (cutoff:3.500A) Processing helix chain 'Cm' and resid 53 through 69 Processing helix chain 'Cm' and resid 87 through 92 removed outlier: 4.418A pdb=" N ILECm 91 " --> pdb=" O GLUCm 87 " (cutoff:3.500A) Processing helix chain 'Dm' and resid 16 through 31 removed outlier: 4.016A pdb=" N ALADm 20 " --> pdb=" O GLYDm 16 " (cutoff:3.500A) Processing helix chain 'Dm' and resid 53 through 69 Processing helix chain 'Dm' and resid 87 through 91 Processing helix chain 'An' and resid 16 through 20 removed outlier: 3.817A pdb=" N GLYAn 20 " --> pdb=" O ALAAn 17 " (cutoff:3.500A) Processing helix chain 'An' and resid 55 through 62 Processing helix chain 'Bn' and resid 17 through 31 Processing helix chain 'Bn' and resid 53 through 69 Processing helix chain 'Bn' and resid 87 through 91 Processing helix chain 'Cn' and resid 16 through 31 removed outlier: 3.899A pdb=" N ALACn 20 " --> pdb=" O GLYCn 16 " (cutoff:3.500A) Processing helix chain 'Cn' and resid 53 through 69 Processing helix chain 'Cn' and resid 87 through 91 Processing helix chain 'Dn' and resid 16 through 31 removed outlier: 3.942A pdb=" N ALADn 20 " --> pdb=" O GLYDn 16 " (cutoff:3.500A) Processing helix chain 'Dn' and resid 53 through 69 Processing helix chain 'Dn' and resid 87 through 91 Processing helix chain 'Ao' and resid 16 through 20 removed outlier: 3.820A pdb=" N GLYAo 20 " --> pdb=" O ALAAo 17 " (cutoff:3.500A) Processing helix chain 'Ao' and resid 55 through 62 Processing helix chain 'Bo' and resid 16 through 31 removed outlier: 3.917A pdb=" N ALABo 20 " --> pdb=" O GLYBo 16 " (cutoff:3.500A) Processing helix chain 'Bo' and resid 53 through 69 Processing helix chain 'Bo' and resid 87 through 91 Processing helix chain 'Co' and resid 17 through 31 Processing helix chain 'Co' and resid 53 through 69 Processing helix chain 'Co' and resid 87 through 92 removed outlier: 4.413A pdb=" N ILECo 91 " --> pdb=" O GLUCo 87 " (cutoff:3.500A) Processing helix chain 'Do' and resid 16 through 31 removed outlier: 3.969A pdb=" N ALADo 20 " --> pdb=" O GLYDo 16 " (cutoff:3.500A) Processing helix chain 'Do' and resid 53 through 69 Processing helix chain 'Do' and resid 87 through 91 Processing helix chain 'Ap' and resid 16 through 20 removed outlier: 3.786A pdb=" N GLYAp 20 " --> pdb=" O ALAAp 17 " (cutoff:3.500A) Processing helix chain 'Ap' and resid 55 through 62 Processing helix chain 'Bp' and resid 16 through 31 removed outlier: 3.865A pdb=" N ALABp 20 " --> pdb=" O GLYBp 16 " (cutoff:3.500A) Processing helix chain 'Bp' and resid 53 through 69 Processing helix chain 'Bp' and resid 87 through 91 Processing helix chain 'Cp' and resid 17 through 31 Processing helix chain 'Cp' and resid 53 through 69 Processing helix chain 'Cp' and resid 85 through 90 removed outlier: 3.630A pdb=" N ASNCp 90 " --> pdb=" O GLUCp 87 " (cutoff:3.500A) Processing helix chain 'Dp' and resid 16 through 31 removed outlier: 3.961A pdb=" N ALADp 20 " --> pdb=" O GLYDp 16 " (cutoff:3.500A) Processing helix chain 'Dp' and resid 53 through 69 Processing helix chain 'Dp' and resid 87 through 91 Processing helix chain 'Aq' and resid 16 through 20 removed outlier: 3.732A pdb=" N GLYAq 20 " --> pdb=" O ALAAq 17 " (cutoff:3.500A) Processing helix chain 'Aq' and resid 55 through 62 Processing helix chain 'Bq' and resid 17 through 31 Processing helix chain 'Bq' and resid 53 through 69 Processing helix chain 'Bq' and resid 87 through 91 Processing helix chain 'Cq' and resid 17 through 31 Processing helix chain 'Cq' and resid 53 through 69 Processing helix chain 'Cq' and resid 87 through 91 removed outlier: 3.542A pdb=" N ASNCq 90 " --> pdb=" O GLUCq 87 " (cutoff:3.500A) Processing helix chain 'Dq' and resid 16 through 31 removed outlier: 3.934A pdb=" N ALADq 20 " --> pdb=" O GLYDq 16 " (cutoff:3.500A) Processing helix chain 'Dq' and resid 53 through 69 Processing helix chain 'Dq' and resid 87 through 91 Processing helix chain 'Ar' and resid 16 through 20 removed outlier: 3.776A pdb=" N GLYAr 20 " --> pdb=" O ALAAr 17 " (cutoff:3.500A) Processing helix chain 'Ar' and resid 55 through 62 Processing helix chain 'Br' and resid 16 through 31 removed outlier: 3.915A pdb=" N ALABr 20 " --> pdb=" O GLYBr 16 " (cutoff:3.500A) Processing helix chain 'Br' and resid 53 through 69 Processing helix chain 'Br' and resid 87 through 91 Processing helix chain 'Cr' and resid 16 through 31 removed outlier: 3.976A pdb=" N ALACr 20 " --> pdb=" O GLYCr 16 " (cutoff:3.500A) Processing helix chain 'Cr' and resid 53 through 69 Processing helix chain 'Cr' and resid 87 through 92 removed outlier: 4.417A pdb=" N ILECr 91 " --> pdb=" O GLUCr 87 " (cutoff:3.500A) Processing helix chain 'Dr' and resid 16 through 31 removed outlier: 4.026A pdb=" N ALADr 20 " --> pdb=" O GLYDr 16 " (cutoff:3.500A) Processing helix chain 'Dr' and resid 53 through 69 Processing helix chain 'Dr' and resid 87 through 91 Processing helix chain 'As' and resid 16 through 20 removed outlier: 3.817A pdb=" N GLYAs 20 " --> pdb=" O ALAAs 17 " (cutoff:3.500A) Processing helix chain 'As' and resid 55 through 62 Processing helix chain 'Bs' and resid 17 through 31 Processing helix chain 'Bs' and resid 53 through 69 Processing helix chain 'Bs' and resid 87 through 91 Processing helix chain 'Cs' and resid 16 through 31 removed outlier: 3.900A pdb=" N ALACs 20 " --> pdb=" O GLYCs 16 " (cutoff:3.500A) Processing helix chain 'Cs' and resid 53 through 69 Processing helix chain 'Cs' and resid 87 through 91 Processing helix chain 'Ds' and resid 16 through 31 removed outlier: 3.943A pdb=" N ALADs 20 " --> pdb=" O GLYDs 16 " (cutoff:3.500A) Processing helix chain 'Ds' and resid 53 through 69 Processing helix chain 'Ds' and resid 87 through 91 Processing helix chain 'At' and resid 16 through 20 removed outlier: 3.820A pdb=" N GLYAt 20 " --> pdb=" O ALAAt 17 " (cutoff:3.500A) Processing helix chain 'At' and resid 55 through 62 Processing helix chain 'Bt' and resid 16 through 31 removed outlier: 3.920A pdb=" N ALABt 20 " --> pdb=" O GLYBt 16 " (cutoff:3.500A) Processing helix chain 'Bt' and resid 53 through 69 Processing helix chain 'Bt' and resid 87 through 91 Processing helix chain 'Ct' and resid 17 through 31 Processing helix chain 'Ct' and resid 53 through 69 Processing helix chain 'Ct' and resid 87 through 92 removed outlier: 4.412A pdb=" N ILECt 91 " --> pdb=" O GLUCt 87 " (cutoff:3.500A) Processing helix chain 'Dt' and resid 16 through 31 removed outlier: 3.960A pdb=" N ALADt 20 " --> pdb=" O GLYDt 16 " (cutoff:3.500A) Processing helix chain 'Dt' and resid 53 through 69 Processing helix chain 'Dt' and resid 87 through 91 Processing helix chain 'Av' and resid 16 through 20 removed outlier: 3.767A pdb=" N GLYAv 20 " --> pdb=" O ALAAv 17 " (cutoff:3.500A) Processing helix chain 'Av' and resid 55 through 62 Processing helix chain 'Bv' and resid 16 through 31 removed outlier: 3.864A pdb=" N ALABv 20 " --> pdb=" O GLYBv 16 " (cutoff:3.500A) Processing helix chain 'Bv' and resid 53 through 69 Processing helix chain 'Bv' and resid 87 through 91 Processing helix chain 'Cv' and resid 17 through 31 Processing helix chain 'Cv' and resid 53 through 69 Processing helix chain 'Cv' and resid 85 through 90 removed outlier: 3.631A pdb=" N ASNCv 90 " --> pdb=" O GLUCv 87 " (cutoff:3.500A) Processing helix chain 'Dv' and resid 16 through 31 removed outlier: 3.962A pdb=" N ALADv 20 " --> pdb=" O GLYDv 16 " (cutoff:3.500A) Processing helix chain 'Dv' and resid 53 through 69 Processing helix chain 'Dv' and resid 87 through 91 Processing helix chain 'Aw' and resid 16 through 20 removed outlier: 3.726A pdb=" N GLYAw 20 " --> pdb=" O ALAAw 17 " (cutoff:3.500A) Processing helix chain 'Aw' and resid 55 through 62 Processing helix chain 'Bw' and resid 17 through 31 Processing helix chain 'Bw' and resid 53 through 69 Processing helix chain 'Bw' and resid 87 through 91 Processing helix chain 'Cw' and resid 17 through 31 Processing helix chain 'Cw' and resid 53 through 69 Processing helix chain 'Cw' and resid 87 through 91 removed outlier: 3.513A pdb=" N ASNCw 90 " --> pdb=" O GLUCw 87 " (cutoff:3.500A) Processing helix chain 'Dw' and resid 16 through 31 removed outlier: 3.933A pdb=" N ALADw 20 " --> pdb=" O GLYDw 16 " (cutoff:3.500A) Processing helix chain 'Dw' and resid 53 through 69 Processing helix chain 'Dw' and resid 87 through 91 Processing helix chain 'Ax' and resid 16 through 20 removed outlier: 3.776A pdb=" N GLYAx 20 " --> pdb=" O ALAAx 17 " (cutoff:3.500A) Processing helix chain 'Ax' and resid 55 through 62 Processing helix chain 'Bx' and resid 16 through 31 removed outlier: 3.931A pdb=" N ALABx 20 " --> pdb=" O GLYBx 16 " (cutoff:3.500A) Processing helix chain 'Bx' and resid 53 through 69 Processing helix chain 'Bx' and resid 87 through 91 Processing helix chain 'Cx' and resid 16 through 31 removed outlier: 3.970A pdb=" N ALACx 20 " --> pdb=" O GLYCx 16 " (cutoff:3.500A) Processing helix chain 'Cx' and resid 53 through 69 Processing helix chain 'Cx' and resid 87 through 92 removed outlier: 4.418A pdb=" N ILECx 91 " --> pdb=" O GLUCx 87 " (cutoff:3.500A) Processing helix chain 'Dx' and resid 16 through 31 removed outlier: 4.026A pdb=" N ALADx 20 " --> pdb=" O GLYDx 16 " (cutoff:3.500A) Processing helix chain 'Dx' and resid 53 through 69 Processing helix chain 'Dx' and resid 87 through 91 Processing helix chain 'Ay' and resid 16 through 20 removed outlier: 3.808A pdb=" N GLYAy 20 " --> pdb=" O ALAAy 17 " (cutoff:3.500A) Processing helix chain 'Ay' and resid 55 through 62 Processing helix chain 'By' and resid 17 through 31 Processing helix chain 'By' and resid 53 through 69 Processing helix chain 'By' and resid 87 through 91 Processing helix chain 'Cy' and resid 16 through 31 removed outlier: 3.900A pdb=" N ALACy 20 " --> pdb=" O GLYCy 16 " (cutoff:3.500A) Processing helix chain 'Cy' and resid 53 through 69 Processing helix chain 'Cy' and resid 87 through 91 Processing helix chain 'Dy' and resid 16 through 31 removed outlier: 3.943A pdb=" N ALADy 20 " --> pdb=" O GLYDy 16 " (cutoff:3.500A) Processing helix chain 'Dy' and resid 53 through 69 Processing helix chain 'Dy' and resid 87 through 91 Processing helix chain 'Az' and resid 16 through 20 removed outlier: 3.797A pdb=" N GLYAz 20 " --> pdb=" O ALAAz 17 " (cutoff:3.500A) Processing helix chain 'Az' and resid 55 through 62 Processing helix chain 'Bz' and resid 16 through 31 removed outlier: 3.920A pdb=" N ALABz 20 " --> pdb=" O GLYBz 16 " (cutoff:3.500A) Processing helix chain 'Bz' and resid 53 through 69 Processing helix chain 'Bz' and resid 87 through 91 Processing helix chain 'Cz' and resid 17 through 31 Processing helix chain 'Cz' and resid 53 through 69 Processing helix chain 'Cz' and resid 87 through 92 removed outlier: 4.412A pdb=" N ILECz 91 " --> pdb=" O GLUCz 87 " (cutoff:3.500A) Processing helix chain 'Dz' and resid 16 through 31 removed outlier: 3.959A pdb=" N ALADz 20 " --> pdb=" O GLYDz 16 " (cutoff:3.500A) Processing helix chain 'Dz' and resid 53 through 69 Processing helix chain 'Dz' and resid 87 through 91 Processing helix chain 'A0' and resid 16 through 20 removed outlier: 3.783A pdb=" N GLYA0 20 " --> pdb=" O ALAA0 17 " (cutoff:3.500A) Processing helix chain 'A0' and resid 55 through 62 Processing helix chain 'B0' and resid 16 through 31 removed outlier: 3.865A pdb=" N ALAB0 20 " --> pdb=" O GLYB0 16 " (cutoff:3.500A) Processing helix chain 'B0' and resid 53 through 69 Processing helix chain 'B0' and resid 87 through 91 Processing helix chain 'C0' and resid 17 through 31 Processing helix chain 'C0' and resid 53 through 69 Processing helix chain 'C0' and resid 85 through 90 removed outlier: 3.647A pdb=" N ASNC0 90 " --> pdb=" O GLUC0 87 " (cutoff:3.500A) Processing helix chain 'D0' and resid 16 through 31 removed outlier: 3.962A pdb=" N ALAD0 20 " --> pdb=" O GLYD0 16 " (cutoff:3.500A) Processing helix chain 'D0' and resid 53 through 69 Processing helix chain 'D0' and resid 87 through 91 Processing helix chain 'A1' and resid 16 through 20 removed outlier: 3.724A pdb=" N GLYA1 20 " --> pdb=" O ALAA1 17 " (cutoff:3.500A) Processing helix chain 'A1' and resid 55 through 62 Processing helix chain 'B1' and resid 17 through 31 Processing helix chain 'B1' and resid 53 through 69 Processing helix chain 'B1' and resid 87 through 91 Processing helix chain 'C1' and resid 17 through 31 Processing helix chain 'C1' and resid 53 through 69 Processing helix chain 'C1' and resid 87 through 91 removed outlier: 3.513A pdb=" N ASNC1 90 " --> pdb=" O GLUC1 87 " (cutoff:3.500A) Processing helix chain 'D1' and resid 16 through 31 removed outlier: 3.933A pdb=" N ALAD1 20 " --> pdb=" O GLYD1 16 " (cutoff:3.500A) Processing helix chain 'D1' and resid 53 through 69 Processing helix chain 'D1' and resid 87 through 91 Processing helix chain 'A2' and resid 16 through 20 removed outlier: 3.810A pdb=" N GLYA2 20 " --> pdb=" O ALAA2 17 " (cutoff:3.500A) Processing helix chain 'A2' and resid 55 through 62 Processing helix chain 'B2' and resid 16 through 31 removed outlier: 3.926A pdb=" N ALAB2 20 " --> pdb=" O GLYB2 16 " (cutoff:3.500A) Processing helix chain 'B2' and resid 53 through 69 Processing helix chain 'B2' and resid 87 through 91 Processing helix chain 'C2' and resid 16 through 31 removed outlier: 3.977A pdb=" N ALAC2 20 " --> pdb=" O GLYC2 16 " (cutoff:3.500A) Processing helix chain 'C2' and resid 53 through 69 Processing helix chain 'C2' and resid 87 through 92 removed outlier: 4.447A pdb=" N ILEC2 91 " --> pdb=" O GLUC2 87 " (cutoff:3.500A) Processing helix chain 'D2' and resid 16 through 31 removed outlier: 4.021A pdb=" N ALAD2 20 " --> pdb=" O GLYD2 16 " (cutoff:3.500A) Processing helix chain 'D2' and resid 53 through 69 Processing helix chain 'D2' and resid 87 through 91 Processing helix chain 'A3' and resid 16 through 20 removed outlier: 3.839A pdb=" N GLYA3 20 " --> pdb=" O ALAA3 17 " (cutoff:3.500A) Processing helix chain 'A3' and resid 55 through 62 Processing helix chain 'B3' and resid 17 through 31 Processing helix chain 'B3' and resid 53 through 69 Processing helix chain 'B3' and resid 87 through 91 Processing helix chain 'C3' and resid 16 through 31 removed outlier: 3.900A pdb=" N ALAC3 20 " --> pdb=" O GLYC3 16 " (cutoff:3.500A) Processing helix chain 'C3' and resid 53 through 69 Processing helix chain 'C3' and resid 87 through 91 removed outlier: 3.505A pdb=" N ASNC3 90 " --> pdb=" O GLUC3 87 " (cutoff:3.500A) Processing helix chain 'D3' and resid 16 through 31 removed outlier: 3.948A pdb=" N ALAD3 20 " --> pdb=" O GLYD3 16 " (cutoff:3.500A) Processing helix chain 'D3' and resid 53 through 69 Processing helix chain 'D3' and resid 87 through 91 Processing helix chain 'A4' and resid 16 through 20 removed outlier: 3.820A pdb=" N GLYA4 20 " --> pdb=" O ALAA4 17 " (cutoff:3.500A) Processing helix chain 'A4' and resid 55 through 62 Processing helix chain 'B4' and resid 17 through 31 Processing helix chain 'B4' and resid 53 through 69 Processing helix chain 'B4' and resid 87 through 91 Processing helix chain 'C4' and resid 17 through 31 Processing helix chain 'C4' and resid 53 through 69 Processing helix chain 'C4' and resid 87 through 92 removed outlier: 4.414A pdb=" N ILEC4 91 " --> pdb=" O GLUC4 87 " (cutoff:3.500A) Processing helix chain 'D4' and resid 16 through 31 removed outlier: 3.965A pdb=" N ALAD4 20 " --> pdb=" O GLYD4 16 " (cutoff:3.500A) Processing helix chain 'D4' and resid 53 through 69 Processing helix chain 'D4' and resid 87 through 91 Processing helix chain 'A5' and resid 16 through 20 removed outlier: 3.781A pdb=" N GLYA5 20 " --> pdb=" O ALAA5 17 " (cutoff:3.500A) Processing helix chain 'A5' and resid 55 through 62 Processing helix chain 'B5' and resid 16 through 31 removed outlier: 3.865A pdb=" N ALAB5 20 " --> pdb=" O GLYB5 16 " (cutoff:3.500A) Processing helix chain 'B5' and resid 53 through 69 Processing helix chain 'B5' and resid 87 through 91 Processing helix chain 'C5' and resid 17 through 31 Processing helix chain 'C5' and resid 53 through 69 Processing helix chain 'C5' and resid 85 through 90 removed outlier: 3.648A pdb=" N ASNC5 90 " --> pdb=" O GLUC5 87 " (cutoff:3.500A) Processing helix chain 'D5' and resid 16 through 31 removed outlier: 3.963A pdb=" N ALAD5 20 " --> pdb=" O GLYD5 16 " (cutoff:3.500A) Processing helix chain 'D5' and resid 53 through 69 Processing helix chain 'D5' and resid 87 through 91 Processing helix chain 'A6' and resid 16 through 20 removed outlier: 3.726A pdb=" N GLYA6 20 " --> pdb=" O ALAA6 17 " (cutoff:3.500A) Processing helix chain 'A6' and resid 55 through 62 Processing helix chain 'B6' and resid 16 through 31 removed outlier: 3.887A pdb=" N ALAB6 20 " --> pdb=" O GLYB6 16 " (cutoff:3.500A) Processing helix chain 'B6' and resid 53 through 69 Processing helix chain 'B6' and resid 87 through 91 Processing helix chain 'C6' and resid 17 through 31 Processing helix chain 'C6' and resid 53 through 69 Processing helix chain 'C6' and resid 87 through 91 removed outlier: 3.521A pdb=" N ASNC6 90 " --> pdb=" O GLUC6 87 " (cutoff:3.500A) Processing helix chain 'D6' and resid 16 through 31 removed outlier: 3.933A pdb=" N ALAD6 20 " --> pdb=" O GLYD6 16 " (cutoff:3.500A) Processing helix chain 'D6' and resid 53 through 69 Processing helix chain 'D6' and resid 87 through 91 Processing helix chain 'A7' and resid 16 through 20 removed outlier: 3.791A pdb=" N GLYA7 20 " --> pdb=" O ALAA7 17 " (cutoff:3.500A) Processing helix chain 'A7' and resid 55 through 62 Processing helix chain 'B7' and resid 16 through 31 removed outlier: 3.927A pdb=" N ALAB7 20 " --> pdb=" O GLYB7 16 " (cutoff:3.500A) Processing helix chain 'B7' and resid 53 through 69 Processing helix chain 'B7' and resid 87 through 91 Processing helix chain 'C7' and resid 16 through 31 removed outlier: 3.977A pdb=" N ALAC7 20 " --> pdb=" O GLYC7 16 " (cutoff:3.500A) Processing helix chain 'C7' and resid 53 through 69 Processing helix chain 'C7' and resid 87 through 92 removed outlier: 4.426A pdb=" N ILEC7 91 " --> pdb=" O GLUC7 87 " (cutoff:3.500A) Processing helix chain 'D7' and resid 16 through 31 removed outlier: 4.016A pdb=" N ALAD7 20 " --> pdb=" O GLYD7 16 " (cutoff:3.500A) Processing helix chain 'D7' and resid 53 through 69 Processing helix chain 'D7' and resid 87 through 91 Processing helix chain 'A8' and resid 16 through 20 removed outlier: 3.838A pdb=" N GLYA8 20 " --> pdb=" O ALAA8 17 " (cutoff:3.500A) Processing helix chain 'A8' and resid 55 through 62 Processing helix chain 'B8' and resid 17 through 31 Processing helix chain 'B8' and resid 53 through 69 Processing helix chain 'B8' and resid 87 through 91 Processing helix chain 'C8' and resid 16 through 31 removed outlier: 3.898A pdb=" N ALAC8 20 " --> pdb=" O GLYC8 16 " (cutoff:3.500A) Processing helix chain 'C8' and resid 53 through 69 Processing helix chain 'C8' and resid 87 through 91 Processing helix chain 'D8' and resid 16 through 31 removed outlier: 3.942A pdb=" N ALAD8 20 " --> pdb=" O GLYD8 16 " (cutoff:3.500A) Processing helix chain 'D8' and resid 53 through 69 Processing helix chain 'D8' and resid 87 through 91 Processing helix chain 'A9' and resid 16 through 20 removed outlier: 3.820A pdb=" N GLYA9 20 " --> pdb=" O ALAA9 17 " (cutoff:3.500A) Processing helix chain 'A9' and resid 55 through 62 Processing helix chain 'B9' and resid 16 through 31 removed outlier: 3.918A pdb=" N ALAB9 20 " --> pdb=" O GLYB9 16 " (cutoff:3.500A) Processing helix chain 'B9' and resid 53 through 69 Processing helix chain 'B9' and resid 87 through 91 Processing helix chain 'C9' and resid 17 through 31 Processing helix chain 'C9' and resid 53 through 69 Processing helix chain 'C9' and resid 87 through 92 removed outlier: 4.345A pdb=" N ILEC9 91 " --> pdb=" O GLUC9 87 " (cutoff:3.500A) Processing helix chain 'D9' and resid 16 through 31 removed outlier: 3.960A pdb=" N ALAD9 20 " --> pdb=" O GLYD9 16 " (cutoff:3.500A) Processing helix chain 'D9' and resid 53 through 69 Processing helix chain 'D9' and resid 87 through 91 Processing sheet with id=AA1, first strand: chain 'AA' and resid 2 through 9 removed outlier: 6.773A pdb=" N VALAA 26 " --> pdb=" O GLUAA 7 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N THRAA 9 " --> pdb=" O LEUAA 24 " (cutoff:3.500A) removed outlier: 7.607A pdb=" N LEUAA 24 " --> pdb=" O THRAA 9 " (cutoff:3.500A) removed outlier: 7.907A pdb=" N ILEAA 73 " --> pdb=" O VALAA 37 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N VALAA 39 " --> pdb=" O ILEAA 73 " (cutoff:3.500A) removed outlier: 8.323A pdb=" N GLYAA 75 " --> pdb=" O VALAA 39 " (cutoff:3.500A) removed outlier: 6.531A pdb=" N LEUAA 51 " --> pdb=" O ILEAA 74 " (cutoff:3.500A) removed outlier: 4.945A pdb=" N ILEAA 76 " --> pdb=" O TRPAA 49 " (cutoff:3.500A) removed outlier: 7.610A pdb=" N TRPAA 49 " --> pdb=" O ILEAA 76 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'BA' and resid 34 through 42 removed outlier: 5.596A pdb=" N LEUBA 35 " --> pdb=" O ARGBA 51 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ARGBA 51 " --> pdb=" O LEUBA 35 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N TYRBA 45 " --> pdb=" O VALBA 41 " (cutoff:3.500A) removed outlier: 6.920A pdb=" N LEUBA 9 " --> pdb=" O ILEBA 80 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N ILEBA 80 " --> pdb=" O LEUBA 9 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N METBA 11 " --> pdb=" O ALABA 78 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALABA 78 " --> pdb=" O METBA 11 " (cutoff:3.500A) removed outlier: 6.531A pdb=" N GLUBA 13 " --> pdb=" O VALBA 76 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'CA' and resid 34 through 40 removed outlier: 6.718A pdb=" N LEUCA 49 " --> pdb=" O VALCA 36 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N ARGCA 38 " --> pdb=" O THRCA 47 " (cutoff:3.500A) removed outlier: 6.552A pdb=" N THRCA 47 " --> pdb=" O ARGCA 38 " (cutoff:3.500A) removed outlier: 4.565A pdb=" N PHECA 40 " --> pdb=" O TYRCA 45 " (cutoff:3.500A) removed outlier: 6.909A pdb=" N TYRCA 45 " --> pdb=" O PHECA 40 " (cutoff:3.500A) removed outlier: 6.835A pdb=" N LEUCA 9 " --> pdb=" O ILECA 80 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N ILECA 80 " --> pdb=" O LEUCA 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METCA 11 " --> pdb=" O ALACA 78 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N ALACA 78 " --> pdb=" O METCA 11 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N GLUCA 13 " --> pdb=" O VALCA 76 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'DA' and resid 34 through 42 removed outlier: 5.597A pdb=" N LEUDA 35 " --> pdb=" O ARGDA 51 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ARGDA 51 " --> pdb=" O LEUDA 35 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N TYRDA 45 " --> pdb=" O VALDA 41 " (cutoff:3.500A) removed outlier: 6.197A pdb=" N ARGDA 15 " --> pdb=" O LEUDA 75 " (cutoff:3.500A) removed outlier: 6.623A pdb=" N LEUDA 75 " --> pdb=" O ARGDA 15 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'AB' and resid 2 through 9 removed outlier: 6.775A pdb=" N VALAB 26 " --> pdb=" O GLUAB 7 " (cutoff:3.500A) removed outlier: 4.906A pdb=" N THRAB 9 " --> pdb=" O LEUAB 24 " (cutoff:3.500A) removed outlier: 7.605A pdb=" N LEUAB 24 " --> pdb=" O THRAB 9 " (cutoff:3.500A) removed outlier: 7.857A pdb=" N ILEAB 73 " --> pdb=" O VALAB 37 " (cutoff:3.500A) removed outlier: 7.037A pdb=" N VALAB 39 " --> pdb=" O ILEAB 73 " (cutoff:3.500A) removed outlier: 8.293A pdb=" N GLYAB 75 " --> pdb=" O VALAB 39 " (cutoff:3.500A) removed outlier: 6.574A pdb=" N LEUAB 51 " --> pdb=" O ILEAB 74 " (cutoff:3.500A) removed outlier: 4.948A pdb=" N ILEAB 76 " --> pdb=" O TRPAB 49 " (cutoff:3.500A) removed outlier: 7.572A pdb=" N TRPAB 49 " --> pdb=" O ILEAB 76 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'BB' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUBB 35 " --> pdb=" O ARGBB 51 " (cutoff:3.500A) removed outlier: 6.613A pdb=" N ARGBB 51 " --> pdb=" O LEUBB 35 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLYBB 37 " --> pdb=" O LEUBB 49 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N TYRBB 45 " --> pdb=" O VALBB 41 " (cutoff:3.500A) removed outlier: 6.976A pdb=" N LEUBB 9 " --> pdb=" O ILEBB 80 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N ILEBB 80 " --> pdb=" O LEUBB 9 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N METBB 11 " --> pdb=" O ALABB 78 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N ALABB 78 " --> pdb=" O METBB 11 " (cutoff:3.500A) removed outlier: 6.577A pdb=" N GLUBB 13 " --> pdb=" O VALBB 76 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'CB' and resid 34 through 42 removed outlier: 6.728A pdb=" N LEUCB 49 " --> pdb=" O VALCB 36 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N ARGCB 38 " --> pdb=" O THRCB 47 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N THRCB 47 " --> pdb=" O ARGCB 38 " (cutoff:3.500A) removed outlier: 4.627A pdb=" N PHECB 40 " --> pdb=" O TYRCB 45 " (cutoff:3.500A) removed outlier: 7.002A pdb=" N TYRCB 45 " --> pdb=" O PHECB 40 " (cutoff:3.500A) removed outlier: 6.829A pdb=" N LEUCB 9 " --> pdb=" O ILECB 80 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ILECB 80 " --> pdb=" O LEUCB 9 " (cutoff:3.500A) removed outlier: 6.765A pdb=" N METCB 11 " --> pdb=" O ALACB 78 " (cutoff:3.500A) removed outlier: 4.324A pdb=" N ALACB 78 " --> pdb=" O METCB 11 " (cutoff:3.500A) removed outlier: 6.444A pdb=" N GLUCB 13 " --> pdb=" O VALCB 76 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'DB' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUDB 35 " --> pdb=" O ARGDB 51 " (cutoff:3.500A) removed outlier: 6.755A pdb=" N ARGDB 51 " --> pdb=" O LEUDB 35 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N GLYDB 37 " --> pdb=" O LEUDB 49 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N TYRDB 45 " --> pdb=" O VALDB 41 " (cutoff:3.500A) removed outlier: 6.819A pdb=" N LEUDB 9 " --> pdb=" O ILEDB 80 " (cutoff:3.500A) removed outlier: 4.484A pdb=" N ILEDB 80 " --> pdb=" O LEUDB 9 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N METDB 11 " --> pdb=" O ALADB 78 " (cutoff:3.500A) removed outlier: 4.317A pdb=" N ALADB 78 " --> pdb=" O METDB 11 " (cutoff:3.500A) removed outlier: 6.591A pdb=" N GLUDB 13 " --> pdb=" O VALDB 76 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'AC' and resid 2 through 9 removed outlier: 6.768A pdb=" N VALAC 26 " --> pdb=" O GLUAC 7 " (cutoff:3.500A) removed outlier: 4.933A pdb=" N THRAC 9 " --> pdb=" O LEUAC 24 " (cutoff:3.500A) removed outlier: 7.692A pdb=" N LEUAC 24 " --> pdb=" O THRAC 9 " (cutoff:3.500A) removed outlier: 7.872A pdb=" N ILEAC 73 " --> pdb=" O VALAC 37 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N VALAC 39 " --> pdb=" O ILEAC 73 " (cutoff:3.500A) removed outlier: 8.310A pdb=" N GLYAC 75 " --> pdb=" O VALAC 39 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N LEUAC 51 " --> pdb=" O ILEAC 74 " (cutoff:3.500A) removed outlier: 4.942A pdb=" N ILEAC 76 " --> pdb=" O TRPAC 49 " (cutoff:3.500A) removed outlier: 7.547A pdb=" N TRPAC 49 " --> pdb=" O ILEAC 76 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'BC' and resid 34 through 42 removed outlier: 5.615A pdb=" N LEUBC 35 " --> pdb=" O ARGBC 51 " (cutoff:3.500A) removed outlier: 6.603A pdb=" N ARGBC 51 " --> pdb=" O LEUBC 35 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N GLYBC 37 " --> pdb=" O LEUBC 49 " (cutoff:3.500A) removed outlier: 6.605A pdb=" N TYRBC 45 " --> pdb=" O VALBC 41 " (cutoff:3.500A) removed outlier: 6.920A pdb=" N LEUBC 9 " --> pdb=" O ILEBC 80 " (cutoff:3.500A) removed outlier: 4.587A pdb=" N ILEBC 80 " --> pdb=" O LEUBC 9 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N METBC 11 " --> pdb=" O ALABC 78 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ALABC 78 " --> pdb=" O METBC 11 " (cutoff:3.500A) removed outlier: 6.496A pdb=" N GLUBC 13 " --> pdb=" O VALBC 76 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'CC' and resid 34 through 42 removed outlier: 6.784A pdb=" N LEUCC 49 " --> pdb=" O VALCC 36 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N ARGCC 38 " --> pdb=" O THRCC 47 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N THRCC 47 " --> pdb=" O ARGCC 38 " (cutoff:3.500A) removed outlier: 4.627A pdb=" N PHECC 40 " --> pdb=" O TYRCC 45 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N TYRCC 45 " --> pdb=" O PHECC 40 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N LEUCC 9 " --> pdb=" O ILECC 80 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N ILECC 80 " --> pdb=" O LEUCC 9 " (cutoff:3.500A) removed outlier: 6.731A pdb=" N METCC 11 " --> pdb=" O ALACC 78 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ALACC 78 " --> pdb=" O METCC 11 " (cutoff:3.500A) removed outlier: 6.452A pdb=" N GLUCC 13 " --> pdb=" O VALCC 76 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'DC' and resid 34 through 42 removed outlier: 6.707A pdb=" N LEUDC 49 " --> pdb=" O VALDC 36 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N ARGDC 38 " --> pdb=" O THRDC 47 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N THRDC 47 " --> pdb=" O ARGDC 38 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N PHEDC 40 " --> pdb=" O TYRDC 45 " (cutoff:3.500A) removed outlier: 7.068A pdb=" N TYRDC 45 " --> pdb=" O PHEDC 40 " (cutoff:3.500A) removed outlier: 6.802A pdb=" N LEUDC 9 " --> pdb=" O ILEDC 80 " (cutoff:3.500A) removed outlier: 4.464A pdb=" N ILEDC 80 " --> pdb=" O LEUDC 9 " (cutoff:3.500A) removed outlier: 6.676A pdb=" N METDC 11 " --> pdb=" O ALADC 78 " (cutoff:3.500A) removed outlier: 4.324A pdb=" N ALADC 78 " --> pdb=" O METDC 11 " (cutoff:3.500A) removed outlier: 6.550A pdb=" N GLUDC 13 " --> pdb=" O VALDC 76 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'AD' and resid 2 through 9 removed outlier: 6.774A pdb=" N VALAD 26 " --> pdb=" O GLUAD 7 " (cutoff:3.500A) removed outlier: 4.875A pdb=" N THRAD 9 " --> pdb=" O LEUAD 24 " (cutoff:3.500A) removed outlier: 7.608A pdb=" N LEUAD 24 " --> pdb=" O THRAD 9 " (cutoff:3.500A) removed outlier: 7.888A pdb=" N ILEAD 73 " --> pdb=" O VALAD 37 " (cutoff:3.500A) removed outlier: 7.044A pdb=" N VALAD 39 " --> pdb=" O ILEAD 73 " (cutoff:3.500A) removed outlier: 8.300A pdb=" N GLYAD 75 " --> pdb=" O VALAD 39 " (cutoff:3.500A) removed outlier: 5.560A pdb=" N ILEAD 73 " --> pdb=" O VALAD 53 " (cutoff:3.500A) removed outlier: 6.759A pdb=" N VALAD 53 " --> pdb=" O ILEAD 73 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N GLYAD 75 " --> pdb=" O LEUAD 51 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'BD' and resid 34 through 42 removed outlier: 5.613A pdb=" N LEUBD 35 " --> pdb=" O ARGBD 51 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ARGBD 51 " --> pdb=" O LEUBD 35 " (cutoff:3.500A) removed outlier: 6.605A pdb=" N TYRBD 45 " --> pdb=" O VALBD 41 " (cutoff:3.500A) removed outlier: 6.926A pdb=" N LEUBD 9 " --> pdb=" O ILEBD 80 " (cutoff:3.500A) removed outlier: 4.611A pdb=" N ILEBD 80 " --> pdb=" O LEUBD 9 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N METBD 11 " --> pdb=" O ALABD 78 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N ALABD 78 " --> pdb=" O METBD 11 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N GLUBD 13 " --> pdb=" O VALBD 76 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'CD' and resid 34 through 42 removed outlier: 6.761A pdb=" N LEUCD 49 " --> pdb=" O VALCD 36 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N ARGCD 38 " --> pdb=" O THRCD 47 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N THRCD 47 " --> pdb=" O ARGCD 38 " (cutoff:3.500A) removed outlier: 4.593A pdb=" N PHECD 40 " --> pdb=" O TYRCD 45 " (cutoff:3.500A) removed outlier: 6.945A pdb=" N TYRCD 45 " --> pdb=" O PHECD 40 " (cutoff:3.500A) removed outlier: 6.788A pdb=" N LEUCD 9 " --> pdb=" O ILECD 80 " (cutoff:3.500A) removed outlier: 4.420A pdb=" N ILECD 80 " --> pdb=" O LEUCD 9 " (cutoff:3.500A) removed outlier: 6.734A pdb=" N METCD 11 " --> pdb=" O ALACD 78 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N ALACD 78 " --> pdb=" O METCD 11 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N GLUCD 13 " --> pdb=" O VALCD 76 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'DD' and resid 34 through 42 removed outlier: 5.653A pdb=" N LEUDD 35 " --> pdb=" O ARGDD 51 " (cutoff:3.500A) removed outlier: 6.766A pdb=" N ARGDD 51 " --> pdb=" O LEUDD 35 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N GLYDD 37 " --> pdb=" O LEUDD 49 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N TYRDD 45 " --> pdb=" O VALDD 41 " (cutoff:3.500A) removed outlier: 6.782A pdb=" N LEUDD 9 " --> pdb=" O ILEDD 80 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N ILEDD 80 " --> pdb=" O LEUDD 9 " (cutoff:3.500A) removed outlier: 6.622A pdb=" N METDD 11 " --> pdb=" O ALADD 78 " (cutoff:3.500A) removed outlier: 4.255A pdb=" N ALADD 78 " --> pdb=" O METDD 11 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N GLUDD 13 " --> pdb=" O VALDD 76 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'AE' and resid 2 through 9 removed outlier: 6.807A pdb=" N VALAE 26 " --> pdb=" O GLUAE 7 " (cutoff:3.500A) removed outlier: 4.955A pdb=" N THRAE 9 " --> pdb=" O LEUAE 24 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N LEUAE 24 " --> pdb=" O THRAE 9 " (cutoff:3.500A) removed outlier: 7.877A pdb=" N ILEAE 73 " --> pdb=" O VALAE 37 " (cutoff:3.500A) removed outlier: 7.035A pdb=" N VALAE 39 " --> pdb=" O ILEAE 73 " (cutoff:3.500A) removed outlier: 8.308A pdb=" N GLYAE 75 " --> pdb=" O VALAE 39 " (cutoff:3.500A) removed outlier: 6.466A pdb=" N LEUAE 51 " --> pdb=" O ILEAE 74 " (cutoff:3.500A) removed outlier: 4.895A pdb=" N ILEAE 76 " --> pdb=" O TRPAE 49 " (cutoff:3.500A) removed outlier: 7.542A pdb=" N TRPAE 49 " --> pdb=" O ILEAE 76 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'BE' and resid 34 through 42 removed outlier: 5.583A pdb=" N LEUBE 35 " --> pdb=" O ARGBE 51 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N ARGBE 51 " --> pdb=" O LEUBE 35 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N TYRBE 45 " --> pdb=" O VALBE 41 " (cutoff:3.500A) removed outlier: 6.922A pdb=" N LEUBE 9 " --> pdb=" O ILEBE 80 " (cutoff:3.500A) removed outlier: 4.591A pdb=" N ILEBE 80 " --> pdb=" O LEUBE 9 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N METBE 11 " --> pdb=" O ALABE 78 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N ALABE 78 " --> pdb=" O METBE 11 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLUBE 13 " --> pdb=" O VALBE 76 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'CE' and resid 34 through 42 removed outlier: 6.735A pdb=" N LEUCE 49 " --> pdb=" O VALCE 36 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N ARGCE 38 " --> pdb=" O THRCE 47 " (cutoff:3.500A) removed outlier: 6.479A pdb=" N THRCE 47 " --> pdb=" O ARGCE 38 " (cutoff:3.500A) removed outlier: 4.552A pdb=" N PHECE 40 " --> pdb=" O TYRCE 45 " (cutoff:3.500A) removed outlier: 6.926A pdb=" N TYRCE 45 " --> pdb=" O PHECE 40 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N LEUCE 9 " --> pdb=" O ILECE 80 " (cutoff:3.500A) removed outlier: 4.481A pdb=" N ILECE 80 " --> pdb=" O LEUCE 9 " (cutoff:3.500A) removed outlier: 6.759A pdb=" N METCE 11 " --> pdb=" O ALACE 78 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ALACE 78 " --> pdb=" O METCE 11 " (cutoff:3.500A) removed outlier: 6.459A pdb=" N GLUCE 13 " --> pdb=" O VALCE 76 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'DE' and resid 34 through 42 removed outlier: 5.600A pdb=" N LEUDE 35 " --> pdb=" O ARGDE 51 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N ARGDE 51 " --> pdb=" O LEUDE 35 " (cutoff:3.500A) removed outlier: 6.564A pdb=" N TYRDE 45 " --> pdb=" O VALDE 41 " (cutoff:3.500A) removed outlier: 6.822A pdb=" N LEUDE 9 " --> pdb=" O ILEDE 80 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N ILEDE 80 " --> pdb=" O LEUDE 9 " (cutoff:3.500A) removed outlier: 6.702A pdb=" N METDE 11 " --> pdb=" O ALADE 78 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ALADE 78 " --> pdb=" O METDE 11 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N GLUDE 13 " --> pdb=" O VALDE 76 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'AF' and resid 2 through 9 removed outlier: 6.795A pdb=" N VALAF 26 " --> pdb=" O GLUAF 7 " (cutoff:3.500A) removed outlier: 4.871A pdb=" N THRAF 9 " --> pdb=" O LEUAF 24 " (cutoff:3.500A) removed outlier: 7.623A pdb=" N LEUAF 24 " --> pdb=" O THRAF 9 " (cutoff:3.500A) removed outlier: 7.903A pdb=" N ILEAF 73 " --> pdb=" O VALAF 37 " (cutoff:3.500A) removed outlier: 7.104A pdb=" N VALAF 39 " --> pdb=" O ILEAF 73 " (cutoff:3.500A) removed outlier: 8.330A pdb=" N GLYAF 75 " --> pdb=" O VALAF 39 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N LEUAF 51 " --> pdb=" O ILEAF 74 " (cutoff:3.500A) removed outlier: 4.926A pdb=" N ILEAF 76 " --> pdb=" O TRPAF 49 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N TRPAF 49 " --> pdb=" O ILEAF 76 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'BF' and resid 34 through 42 removed outlier: 5.599A pdb=" N LEUBF 35 " --> pdb=" O ARGBF 51 " (cutoff:3.500A) removed outlier: 6.622A pdb=" N ARGBF 51 " --> pdb=" O LEUBF 35 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N TYRBF 45 " --> pdb=" O VALBF 41 " (cutoff:3.500A) removed outlier: 6.922A pdb=" N LEUBF 9 " --> pdb=" O ILEBF 80 " (cutoff:3.500A) removed outlier: 4.573A pdb=" N ILEBF 80 " --> pdb=" O LEUBF 9 " (cutoff:3.500A) removed outlier: 6.761A pdb=" N METBF 11 " --> pdb=" O ALABF 78 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALABF 78 " --> pdb=" O METBF 11 " (cutoff:3.500A) removed outlier: 6.559A pdb=" N GLUBF 13 " --> pdb=" O VALBF 76 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'CF' and resid 34 through 40 removed outlier: 6.718A pdb=" N LEUCF 49 " --> pdb=" O VALCF 36 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N ARGCF 38 " --> pdb=" O THRCF 47 " (cutoff:3.500A) removed outlier: 6.552A pdb=" N THRCF 47 " --> pdb=" O ARGCF 38 " (cutoff:3.500A) removed outlier: 4.566A pdb=" N PHECF 40 " --> pdb=" O TYRCF 45 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N TYRCF 45 " --> pdb=" O PHECF 40 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N LEUCF 9 " --> pdb=" O ILECF 80 " (cutoff:3.500A) removed outlier: 4.488A pdb=" N ILECF 80 " --> pdb=" O LEUCF 9 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N METCF 11 " --> pdb=" O ALACF 78 " (cutoff:3.500A) removed outlier: 4.329A pdb=" N ALACF 78 " --> pdb=" O METCF 11 " (cutoff:3.500A) removed outlier: 6.434A pdb=" N GLUCF 13 " --> pdb=" O VALCF 76 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain 'DF' and resid 34 through 42 removed outlier: 5.597A pdb=" N LEUDF 35 " --> pdb=" O ARGDF 51 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N ARGDF 51 " --> pdb=" O LEUDF 35 " (cutoff:3.500A) removed outlier: 6.531A pdb=" N TYRDF 45 " --> pdb=" O VALDF 41 " (cutoff:3.500A) removed outlier: 6.198A pdb=" N ARGDF 15 " --> pdb=" O LEUDF 75 " (cutoff:3.500A) removed outlier: 6.623A pdb=" N LEUDF 75 " --> pdb=" O ARGDF 15 " (cutoff:3.500A) Processing sheet with id=AC7, first strand: chain 'AG' and resid 2 through 9 removed outlier: 6.770A pdb=" N VALAG 26 " --> pdb=" O GLUAG 7 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N THRAG 9 " --> pdb=" O LEUAG 24 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N LEUAG 24 " --> pdb=" O THRAG 9 " (cutoff:3.500A) removed outlier: 7.859A pdb=" N ILEAG 73 " --> pdb=" O VALAG 37 " (cutoff:3.500A) removed outlier: 7.038A pdb=" N VALAG 39 " --> pdb=" O ILEAG 73 " (cutoff:3.500A) removed outlier: 8.286A pdb=" N GLYAG 75 " --> pdb=" O VALAG 39 " (cutoff:3.500A) removed outlier: 6.551A pdb=" N LEUAG 51 " --> pdb=" O ILEAG 74 " (cutoff:3.500A) removed outlier: 4.937A pdb=" N ILEAG 76 " --> pdb=" O TRPAG 49 " (cutoff:3.500A) removed outlier: 7.561A pdb=" N TRPAG 49 " --> pdb=" O ILEAG 76 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'BG' and resid 34 through 42 removed outlier: 5.632A pdb=" N LEUBG 35 " --> pdb=" O ARGBG 51 " (cutoff:3.500A) removed outlier: 6.602A pdb=" N ARGBG 51 " --> pdb=" O LEUBG 35 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLYBG 37 " --> pdb=" O LEUBG 49 " (cutoff:3.500A) removed outlier: 6.594A pdb=" N TYRBG 45 " --> pdb=" O VALBG 41 " (cutoff:3.500A) removed outlier: 6.963A pdb=" N LEUBG 9 " --> pdb=" O ILEBG 80 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N ILEBG 80 " --> pdb=" O LEUBG 9 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N METBG 11 " --> pdb=" O ALABG 78 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ALABG 78 " --> pdb=" O METBG 11 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N GLUBG 13 " --> pdb=" O VALBG 76 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'CG' and resid 34 through 42 removed outlier: 6.732A pdb=" N LEUCG 49 " --> pdb=" O VALCG 36 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N ARGCG 38 " --> pdb=" O THRCG 47 " (cutoff:3.500A) removed outlier: 6.521A pdb=" N THRCG 47 " --> pdb=" O ARGCG 38 " (cutoff:3.500A) removed outlier: 4.633A pdb=" N PHECG 40 " --> pdb=" O TYRCG 45 " (cutoff:3.500A) removed outlier: 7.002A pdb=" N TYRCG 45 " --> pdb=" O PHECG 40 " (cutoff:3.500A) removed outlier: 6.831A pdb=" N LEUCG 9 " --> pdb=" O ILECG 80 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N ILECG 80 " --> pdb=" O LEUCG 9 " (cutoff:3.500A) removed outlier: 6.760A pdb=" N METCG 11 " --> pdb=" O ALACG 78 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N ALACG 78 " --> pdb=" O METCG 11 " (cutoff:3.500A) removed outlier: 6.447A pdb=" N GLUCG 13 " --> pdb=" O VALCG 76 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'DG' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUDG 35 " --> pdb=" O ARGDG 51 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ARGDG 51 " --> pdb=" O LEUDG 35 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLYDG 37 " --> pdb=" O LEUDG 49 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N TYRDG 45 " --> pdb=" O VALDG 41 " (cutoff:3.500A) removed outlier: 6.819A pdb=" N LEUDG 9 " --> pdb=" O ILEDG 80 " (cutoff:3.500A) removed outlier: 4.484A pdb=" N ILEDG 80 " --> pdb=" O LEUDG 9 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N METDG 11 " --> pdb=" O ALADG 78 " (cutoff:3.500A) removed outlier: 4.317A pdb=" N ALADG 78 " --> pdb=" O METDG 11 " (cutoff:3.500A) removed outlier: 6.591A pdb=" N GLUDG 13 " --> pdb=" O VALDG 76 " (cutoff:3.500A) Processing sheet with id=AD2, first strand: chain 'AH' and resid 2 through 9 removed outlier: 6.800A pdb=" N VALAH 26 " --> pdb=" O GLUAH 7 " (cutoff:3.500A) removed outlier: 4.956A pdb=" N THRAH 9 " --> pdb=" O LEUAH 24 " (cutoff:3.500A) removed outlier: 7.707A pdb=" N LEUAH 24 " --> pdb=" O THRAH 9 " (cutoff:3.500A) removed outlier: 7.882A pdb=" N ILEAH 73 " --> pdb=" O VALAH 37 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N VALAH 39 " --> pdb=" O ILEAH 73 " (cutoff:3.500A) removed outlier: 8.339A pdb=" N GLYAH 75 " --> pdb=" O VALAH 39 " (cutoff:3.500A) removed outlier: 6.516A pdb=" N LEUAH 51 " --> pdb=" O ILEAH 74 " (cutoff:3.500A) removed outlier: 4.970A pdb=" N ILEAH 76 " --> pdb=" O TRPAH 49 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N TRPAH 49 " --> pdb=" O ILEAH 76 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'BH' and resid 34 through 42 removed outlier: 5.586A pdb=" N LEUBH 35 " --> pdb=" O ARGBH 51 " (cutoff:3.500A) removed outlier: 6.621A pdb=" N ARGBH 51 " --> pdb=" O LEUBH 35 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N GLYBH 37 " --> pdb=" O LEUBH 49 " (cutoff:3.500A) removed outlier: 6.605A pdb=" N TYRBH 45 " --> pdb=" O VALBH 41 " (cutoff:3.500A) removed outlier: 6.917A pdb=" N LEUBH 9 " --> pdb=" O ILEBH 80 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ILEBH 80 " --> pdb=" O LEUBH 9 " (cutoff:3.500A) removed outlier: 6.746A pdb=" N METBH 11 " --> pdb=" O ALABH 78 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ALABH 78 " --> pdb=" O METBH 11 " (cutoff:3.500A) removed outlier: 6.489A pdb=" N GLUBH 13 " --> pdb=" O VALBH 76 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'CH' and resid 34 through 42 removed outlier: 6.786A pdb=" N LEUCH 49 " --> pdb=" O VALCH 36 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N ARGCH 38 " --> pdb=" O THRCH 47 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N THRCH 47 " --> pdb=" O ARGCH 38 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHECH 40 " --> pdb=" O TYRCH 45 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N TYRCH 45 " --> pdb=" O PHECH 40 " (cutoff:3.500A) removed outlier: 6.804A pdb=" N LEUCH 9 " --> pdb=" O ILECH 80 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N ILECH 80 " --> pdb=" O LEUCH 9 " (cutoff:3.500A) removed outlier: 6.729A pdb=" N METCH 11 " --> pdb=" O ALACH 78 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ALACH 78 " --> pdb=" O METCH 11 " (cutoff:3.500A) removed outlier: 6.450A pdb=" N GLUCH 13 " --> pdb=" O VALCH 76 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'DH' and resid 34 through 40 removed outlier: 6.726A pdb=" N LEUDH 49 " --> pdb=" O VALDH 36 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N ARGDH 38 " --> pdb=" O THRDH 47 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N THRDH 47 " --> pdb=" O ARGDH 38 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N PHEDH 40 " --> pdb=" O TYRDH 45 " (cutoff:3.500A) removed outlier: 7.043A pdb=" N TYRDH 45 " --> pdb=" O PHEDH 40 " (cutoff:3.500A) removed outlier: 6.803A pdb=" N LEUDH 9 " --> pdb=" O ILEDH 80 " (cutoff:3.500A) removed outlier: 4.462A pdb=" N ILEDH 80 " --> pdb=" O LEUDH 9 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N METDH 11 " --> pdb=" O ALADH 78 " (cutoff:3.500A) removed outlier: 4.316A pdb=" N ALADH 78 " --> pdb=" O METDH 11 " (cutoff:3.500A) removed outlier: 6.546A pdb=" N GLUDH 13 " --> pdb=" O VALDH 76 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'AI' and resid 2 through 9 removed outlier: 6.791A pdb=" N VALAI 26 " --> pdb=" O GLUAI 7 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N THRAI 9 " --> pdb=" O LEUAI 24 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N LEUAI 24 " --> pdb=" O THRAI 9 " (cutoff:3.500A) removed outlier: 7.883A pdb=" N ILEAI 73 " --> pdb=" O VALAI 37 " (cutoff:3.500A) removed outlier: 7.029A pdb=" N VALAI 39 " --> pdb=" O ILEAI 73 " (cutoff:3.500A) removed outlier: 8.295A pdb=" N GLYAI 75 " --> pdb=" O VALAI 39 " (cutoff:3.500A) removed outlier: 5.568A pdb=" N ILEAI 73 " --> pdb=" O VALAI 53 " (cutoff:3.500A) removed outlier: 6.785A pdb=" N VALAI 53 " --> pdb=" O ILEAI 73 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N GLYAI 75 " --> pdb=" O LEUAI 51 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'BI' and resid 34 through 42 removed outlier: 5.597A pdb=" N LEUBI 35 " --> pdb=" O ARGBI 51 " (cutoff:3.500A) removed outlier: 6.693A pdb=" N ARGBI 51 " --> pdb=" O LEUBI 35 " (cutoff:3.500A) removed outlier: 6.603A pdb=" N TYRBI 45 " --> pdb=" O VALBI 41 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N LEUBI 9 " --> pdb=" O ILEBI 80 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N ILEBI 80 " --> pdb=" O LEUBI 9 " (cutoff:3.500A) removed outlier: 6.778A pdb=" N METBI 11 " --> pdb=" O ALABI 78 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N ALABI 78 " --> pdb=" O METBI 11 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N GLUBI 13 " --> pdb=" O VALBI 76 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'CI' and resid 34 through 42 removed outlier: 6.757A pdb=" N LEUCI 49 " --> pdb=" O VALCI 36 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ARGCI 38 " --> pdb=" O THRCI 47 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N THRCI 47 " --> pdb=" O ARGCI 38 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N PHECI 40 " --> pdb=" O TYRCI 45 " (cutoff:3.500A) removed outlier: 6.946A pdb=" N TYRCI 45 " --> pdb=" O PHECI 40 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUCI 9 " --> pdb=" O ILECI 80 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N ILECI 80 " --> pdb=" O LEUCI 9 " (cutoff:3.500A) removed outlier: 6.731A pdb=" N METCI 11 " --> pdb=" O ALACI 78 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALACI 78 " --> pdb=" O METCI 11 " (cutoff:3.500A) removed outlier: 6.406A pdb=" N GLUCI 13 " --> pdb=" O VALCI 76 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'DI' and resid 34 through 42 removed outlier: 5.656A pdb=" N LEUDI 35 " --> pdb=" O ARGDI 51 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N ARGDI 51 " --> pdb=" O LEUDI 35 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N GLYDI 37 " --> pdb=" O LEUDI 49 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N TYRDI 45 " --> pdb=" O VALDI 41 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N LEUDI 9 " --> pdb=" O ILEDI 80 " (cutoff:3.500A) removed outlier: 4.470A pdb=" N ILEDI 80 " --> pdb=" O LEUDI 9 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N METDI 11 " --> pdb=" O ALADI 78 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N ALADI 78 " --> pdb=" O METDI 11 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N GLUDI 13 " --> pdb=" O VALDI 76 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'AJ' and resid 2 through 9 removed outlier: 6.806A pdb=" N VALAJ 26 " --> pdb=" O GLUAJ 7 " (cutoff:3.500A) removed outlier: 4.955A pdb=" N THRAJ 9 " --> pdb=" O LEUAJ 24 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N LEUAJ 24 " --> pdb=" O THRAJ 9 " (cutoff:3.500A) removed outlier: 7.877A pdb=" N ILEAJ 73 " --> pdb=" O VALAJ 37 " (cutoff:3.500A) removed outlier: 7.029A pdb=" N VALAJ 39 " --> pdb=" O ILEAJ 73 " (cutoff:3.500A) removed outlier: 8.311A pdb=" N GLYAJ 75 " --> pdb=" O VALAJ 39 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N LEUAJ 51 " --> pdb=" O ILEAJ 74 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N ILEAJ 76 " --> pdb=" O TRPAJ 49 " (cutoff:3.500A) removed outlier: 7.542A pdb=" N TRPAJ 49 " --> pdb=" O ILEAJ 76 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'BJ' and resid 34 through 42 removed outlier: 5.591A pdb=" N LEUBJ 35 " --> pdb=" O ARGBJ 51 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N ARGBJ 51 " --> pdb=" O LEUBJ 35 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N TYRBJ 45 " --> pdb=" O VALBJ 41 " (cutoff:3.500A) removed outlier: 6.918A pdb=" N LEUBJ 9 " --> pdb=" O ILEBJ 80 " (cutoff:3.500A) removed outlier: 4.587A pdb=" N ILEBJ 80 " --> pdb=" O LEUBJ 9 " (cutoff:3.500A) removed outlier: 6.805A pdb=" N METBJ 11 " --> pdb=" O ALABJ 78 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ALABJ 78 " --> pdb=" O METBJ 11 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLUBJ 13 " --> pdb=" O VALBJ 76 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'CJ' and resid 34 through 42 removed outlier: 6.735A pdb=" N LEUCJ 49 " --> pdb=" O VALCJ 36 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N ARGCJ 38 " --> pdb=" O THRCJ 47 " (cutoff:3.500A) removed outlier: 6.479A pdb=" N THRCJ 47 " --> pdb=" O ARGCJ 38 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N PHECJ 40 " --> pdb=" O TYRCJ 45 " (cutoff:3.500A) removed outlier: 6.927A pdb=" N TYRCJ 45 " --> pdb=" O PHECJ 40 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N LEUCJ 9 " --> pdb=" O ILECJ 80 " (cutoff:3.500A) removed outlier: 4.480A pdb=" N ILECJ 80 " --> pdb=" O LEUCJ 9 " (cutoff:3.500A) removed outlier: 6.759A pdb=" N METCJ 11 " --> pdb=" O ALACJ 78 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ALACJ 78 " --> pdb=" O METCJ 11 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N GLUCJ 13 " --> pdb=" O VALCJ 76 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'DJ' and resid 34 through 42 removed outlier: 5.601A pdb=" N LEUDJ 35 " --> pdb=" O ARGDJ 51 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N ARGDJ 51 " --> pdb=" O LEUDJ 35 " (cutoff:3.500A) removed outlier: 6.564A pdb=" N TYRDJ 45 " --> pdb=" O VALDJ 41 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N LEUDJ 9 " --> pdb=" O ILEDJ 80 " (cutoff:3.500A) removed outlier: 4.511A pdb=" N ILEDJ 80 " --> pdb=" O LEUDJ 9 " (cutoff:3.500A) removed outlier: 6.700A pdb=" N METDJ 11 " --> pdb=" O ALADJ 78 " (cutoff:3.500A) removed outlier: 4.311A pdb=" N ALADJ 78 " --> pdb=" O METDJ 11 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N GLUDJ 13 " --> pdb=" O VALDJ 76 " (cutoff:3.500A) Processing sheet with id=AE5, first strand: chain 'AK' and resid 2 through 9 removed outlier: 6.785A pdb=" N VALAK 26 " --> pdb=" O GLUAK 7 " (cutoff:3.500A) removed outlier: 4.867A pdb=" N THRAK 9 " --> pdb=" O LEUAK 24 " (cutoff:3.500A) removed outlier: 7.619A pdb=" N LEUAK 24 " --> pdb=" O THRAK 9 " (cutoff:3.500A) removed outlier: 7.898A pdb=" N ILEAK 73 " --> pdb=" O VALAK 37 " (cutoff:3.500A) removed outlier: 7.103A pdb=" N VALAK 39 " --> pdb=" O ILEAK 73 " (cutoff:3.500A) removed outlier: 8.321A pdb=" N GLYAK 75 " --> pdb=" O VALAK 39 " (cutoff:3.500A) removed outlier: 6.506A pdb=" N LEUAK 51 " --> pdb=" O ILEAK 74 " (cutoff:3.500A) removed outlier: 4.943A pdb=" N ILEAK 76 " --> pdb=" O TRPAK 49 " (cutoff:3.500A) removed outlier: 7.605A pdb=" N TRPAK 49 " --> pdb=" O ILEAK 76 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'BK' and resid 34 through 42 removed outlier: 5.598A pdb=" N LEUBK 35 " --> pdb=" O ARGBK 51 " (cutoff:3.500A) removed outlier: 6.621A pdb=" N ARGBK 51 " --> pdb=" O LEUBK 35 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N TYRBK 45 " --> pdb=" O VALBK 41 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N LEUBK 9 " --> pdb=" O ILEBK 80 " (cutoff:3.500A) removed outlier: 4.572A pdb=" N ILEBK 80 " --> pdb=" O LEUBK 9 " (cutoff:3.500A) removed outlier: 6.761A pdb=" N METBK 11 " --> pdb=" O ALABK 78 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALABK 78 " --> pdb=" O METBK 11 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLUBK 13 " --> pdb=" O VALBK 76 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'CK' and resid 34 through 40 removed outlier: 6.718A pdb=" N LEUCK 49 " --> pdb=" O VALCK 36 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N ARGCK 38 " --> pdb=" O THRCK 47 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N THRCK 47 " --> pdb=" O ARGCK 38 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N PHECK 40 " --> pdb=" O TYRCK 45 " (cutoff:3.500A) removed outlier: 6.911A pdb=" N TYRCK 45 " --> pdb=" O PHECK 40 " (cutoff:3.500A) removed outlier: 6.831A pdb=" N LEUCK 9 " --> pdb=" O ILECK 80 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ILECK 80 " --> pdb=" O LEUCK 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METCK 11 " --> pdb=" O ALACK 78 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ALACK 78 " --> pdb=" O METCK 11 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N GLUCK 13 " --> pdb=" O VALCK 76 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'DK' and resid 34 through 42 removed outlier: 5.611A pdb=" N LEUDK 35 " --> pdb=" O ARGDK 51 " (cutoff:3.500A) removed outlier: 6.765A pdb=" N ARGDK 51 " --> pdb=" O LEUDK 35 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N TYRDK 45 " --> pdb=" O VALDK 41 " (cutoff:3.500A) removed outlier: 6.201A pdb=" N ARGDK 15 " --> pdb=" O LEUDK 75 " (cutoff:3.500A) removed outlier: 6.625A pdb=" N LEUDK 75 " --> pdb=" O ARGDK 15 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'AL' and resid 2 through 9 removed outlier: 6.784A pdb=" N VALAL 26 " --> pdb=" O GLUAL 7 " (cutoff:3.500A) removed outlier: 4.907A pdb=" N THRAL 9 " --> pdb=" O LEUAL 24 " (cutoff:3.500A) removed outlier: 7.603A pdb=" N LEUAL 24 " --> pdb=" O THRAL 9 " (cutoff:3.500A) removed outlier: 7.857A pdb=" N ILEAL 73 " --> pdb=" O VALAL 37 " (cutoff:3.500A) removed outlier: 7.034A pdb=" N VALAL 39 " --> pdb=" O ILEAL 73 " (cutoff:3.500A) removed outlier: 8.290A pdb=" N GLYAL 75 " --> pdb=" O VALAL 39 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEUAL 51 " --> pdb=" O ILEAL 74 " (cutoff:3.500A) removed outlier: 4.962A pdb=" N ILEAL 76 " --> pdb=" O TRPAL 49 " (cutoff:3.500A) removed outlier: 7.560A pdb=" N TRPAL 49 " --> pdb=" O ILEAL 76 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'BL' and resid 34 through 42 removed outlier: 5.628A pdb=" N LEUBL 35 " --> pdb=" O ARGBL 51 " (cutoff:3.500A) removed outlier: 6.600A pdb=" N ARGBL 51 " --> pdb=" O LEUBL 35 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLYBL 37 " --> pdb=" O LEUBL 49 " (cutoff:3.500A) removed outlier: 6.593A pdb=" N TYRBL 45 " --> pdb=" O VALBL 41 " (cutoff:3.500A) removed outlier: 6.966A pdb=" N LEUBL 9 " --> pdb=" O ILEBL 80 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N ILEBL 80 " --> pdb=" O LEUBL 9 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N METBL 11 " --> pdb=" O ALABL 78 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N ALABL 78 " --> pdb=" O METBL 11 " (cutoff:3.500A) removed outlier: 6.570A pdb=" N GLUBL 13 " --> pdb=" O VALBL 76 " (cutoff:3.500A) Processing sheet with id=AF2, first strand: chain 'CL' and resid 34 through 42 removed outlier: 6.731A pdb=" N LEUCL 49 " --> pdb=" O VALCL 36 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N ARGCL 38 " --> pdb=" O THRCL 47 " (cutoff:3.500A) removed outlier: 6.518A pdb=" N THRCL 47 " --> pdb=" O ARGCL 38 " (cutoff:3.500A) removed outlier: 4.629A pdb=" N PHECL 40 " --> pdb=" O TYRCL 45 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N TYRCL 45 " --> pdb=" O PHECL 40 " (cutoff:3.500A) removed outlier: 6.833A pdb=" N LEUCL 9 " --> pdb=" O ILECL 80 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ILECL 80 " --> pdb=" O LEUCL 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METCL 11 " --> pdb=" O ALACL 78 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ALACL 78 " --> pdb=" O METCL 11 " (cutoff:3.500A) removed outlier: 6.447A pdb=" N GLUCL 13 " --> pdb=" O VALCL 76 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'DL' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUDL 35 " --> pdb=" O ARGDL 51 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ARGDL 51 " --> pdb=" O LEUDL 35 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLYDL 37 " --> pdb=" O LEUDL 49 " (cutoff:3.500A) removed outlier: 6.571A pdb=" N TYRDL 45 " --> pdb=" O VALDL 41 " (cutoff:3.500A) removed outlier: 6.819A pdb=" N LEUDL 9 " --> pdb=" O ILEDL 80 " (cutoff:3.500A) removed outlier: 4.484A pdb=" N ILEDL 80 " --> pdb=" O LEUDL 9 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N METDL 11 " --> pdb=" O ALADL 78 " (cutoff:3.500A) removed outlier: 4.317A pdb=" N ALADL 78 " --> pdb=" O METDL 11 " (cutoff:3.500A) removed outlier: 6.591A pdb=" N GLUDL 13 " --> pdb=" O VALDL 76 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'AM' and resid 2 through 9 removed outlier: 6.802A pdb=" N VALAM 26 " --> pdb=" O GLUAM 7 " (cutoff:3.500A) removed outlier: 4.951A pdb=" N THRAM 9 " --> pdb=" O LEUAM 24 " (cutoff:3.500A) removed outlier: 7.702A pdb=" N LEUAM 24 " --> pdb=" O THRAM 9 " (cutoff:3.500A) removed outlier: 7.874A pdb=" N ILEAM 73 " --> pdb=" O VALAM 37 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N VALAM 39 " --> pdb=" O ILEAM 73 " (cutoff:3.500A) removed outlier: 8.331A pdb=" N GLYAM 75 " --> pdb=" O VALAM 39 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N LEUAM 51 " --> pdb=" O ILEAM 74 " (cutoff:3.500A) removed outlier: 4.978A pdb=" N ILEAM 76 " --> pdb=" O TRPAM 49 " (cutoff:3.500A) removed outlier: 7.571A pdb=" N TRPAM 49 " --> pdb=" O ILEAM 76 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'BM' and resid 34 through 42 removed outlier: 5.596A pdb=" N LEUBM 35 " --> pdb=" O ARGBM 51 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N ARGBM 51 " --> pdb=" O LEUBM 35 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N GLYBM 37 " --> pdb=" O LEUBM 49 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N TYRBM 45 " --> pdb=" O VALBM 41 " (cutoff:3.500A) removed outlier: 6.920A pdb=" N LEUBM 9 " --> pdb=" O ILEBM 80 " (cutoff:3.500A) removed outlier: 4.588A pdb=" N ILEBM 80 " --> pdb=" O LEUBM 9 " (cutoff:3.500A) removed outlier: 6.745A pdb=" N METBM 11 " --> pdb=" O ALABM 78 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N ALABM 78 " --> pdb=" O METBM 11 " (cutoff:3.500A) removed outlier: 6.494A pdb=" N GLUBM 13 " --> pdb=" O VALBM 76 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'CM' and resid 34 through 42 removed outlier: 6.784A pdb=" N LEUCM 49 " --> pdb=" O VALCM 36 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N ARGCM 38 " --> pdb=" O THRCM 47 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N THRCM 47 " --> pdb=" O ARGCM 38 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHECM 40 " --> pdb=" O TYRCM 45 " (cutoff:3.500A) removed outlier: 7.008A pdb=" N TYRCM 45 " --> pdb=" O PHECM 40 " (cutoff:3.500A) removed outlier: 6.803A pdb=" N LEUCM 9 " --> pdb=" O ILECM 80 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N ILECM 80 " --> pdb=" O LEUCM 9 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N METCM 11 " --> pdb=" O ALACM 78 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N ALACM 78 " --> pdb=" O METCM 11 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N GLUCM 13 " --> pdb=" O VALCM 76 " (cutoff:3.500A) Processing sheet with id=AF7, first strand: chain 'DM' and resid 34 through 42 removed outlier: 6.726A pdb=" N LEUDM 49 " --> pdb=" O VALDM 36 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N ARGDM 38 " --> pdb=" O THRDM 47 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N THRDM 47 " --> pdb=" O ARGDM 38 " (cutoff:3.500A) removed outlier: 4.664A pdb=" N PHEDM 40 " --> pdb=" O TYRDM 45 " (cutoff:3.500A) removed outlier: 7.046A pdb=" N TYRDM 45 " --> pdb=" O PHEDM 40 " (cutoff:3.500A) removed outlier: 6.804A pdb=" N LEUDM 9 " --> pdb=" O ILEDM 80 " (cutoff:3.500A) removed outlier: 4.463A pdb=" N ILEDM 80 " --> pdb=" O LEUDM 9 " (cutoff:3.500A) removed outlier: 6.678A pdb=" N METDM 11 " --> pdb=" O ALADM 78 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N ALADM 78 " --> pdb=" O METDM 11 " (cutoff:3.500A) removed outlier: 6.544A pdb=" N GLUDM 13 " --> pdb=" O VALDM 76 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain 'AN' and resid 2 through 9 removed outlier: 6.780A pdb=" N VALAN 26 " --> pdb=" O GLUAN 7 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N THRAN 9 " --> pdb=" O LEUAN 24 " (cutoff:3.500A) removed outlier: 7.602A pdb=" N LEUAN 24 " --> pdb=" O THRAN 9 " (cutoff:3.500A) removed outlier: 7.892A pdb=" N ILEAN 73 " --> pdb=" O VALAN 37 " (cutoff:3.500A) removed outlier: 7.057A pdb=" N VALAN 39 " --> pdb=" O ILEAN 73 " (cutoff:3.500A) removed outlier: 8.307A pdb=" N GLYAN 75 " --> pdb=" O VALAN 39 " (cutoff:3.500A) removed outlier: 5.565A pdb=" N ILEAN 73 " --> pdb=" O VALAN 53 " (cutoff:3.500A) removed outlier: 6.768A pdb=" N VALAN 53 " --> pdb=" O ILEAN 73 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N GLYAN 75 " --> pdb=" O LEUAN 51 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'BN' and resid 34 through 42 removed outlier: 5.616A pdb=" N LEUBN 35 " --> pdb=" O ARGBN 51 " (cutoff:3.500A) removed outlier: 6.702A pdb=" N ARGBN 51 " --> pdb=" O LEUBN 35 " (cutoff:3.500A) removed outlier: 6.614A pdb=" N TYRBN 45 " --> pdb=" O VALBN 41 " (cutoff:3.500A) removed outlier: 6.934A pdb=" N LEUBN 9 " --> pdb=" O ILEBN 80 " (cutoff:3.500A) removed outlier: 4.627A pdb=" N ILEBN 80 " --> pdb=" O LEUBN 9 " (cutoff:3.500A) removed outlier: 6.761A pdb=" N METBN 11 " --> pdb=" O ALABN 78 " (cutoff:3.500A) removed outlier: 4.317A pdb=" N ALABN 78 " --> pdb=" O METBN 11 " (cutoff:3.500A) removed outlier: 6.492A pdb=" N GLUBN 13 " --> pdb=" O VALBN 76 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'CN' and resid 34 through 42 removed outlier: 6.757A pdb=" N LEUCN 49 " --> pdb=" O VALCN 36 " (cutoff:3.500A) removed outlier: 4.254A pdb=" N ARGCN 38 " --> pdb=" O THRCN 47 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N THRCN 47 " --> pdb=" O ARGCN 38 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N PHECN 40 " --> pdb=" O TYRCN 45 " (cutoff:3.500A) removed outlier: 6.946A pdb=" N TYRCN 45 " --> pdb=" O PHECN 40 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUCN 9 " --> pdb=" O ILECN 80 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N ILECN 80 " --> pdb=" O LEUCN 9 " (cutoff:3.500A) removed outlier: 6.732A pdb=" N METCN 11 " --> pdb=" O ALACN 78 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N ALACN 78 " --> pdb=" O METCN 11 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N GLUCN 13 " --> pdb=" O VALCN 76 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'DN' and resid 34 through 42 removed outlier: 5.653A pdb=" N LEUDN 35 " --> pdb=" O ARGDN 51 " (cutoff:3.500A) removed outlier: 6.766A pdb=" N ARGDN 51 " --> pdb=" O LEUDN 35 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N GLYDN 37 " --> pdb=" O LEUDN 49 " (cutoff:3.500A) removed outlier: 6.559A pdb=" N TYRDN 45 " --> pdb=" O VALDN 41 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUDN 9 " --> pdb=" O ILEDN 80 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N ILEDN 80 " --> pdb=" O LEUDN 9 " (cutoff:3.500A) removed outlier: 6.634A pdb=" N METDN 11 " --> pdb=" O ALADN 78 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N ALADN 78 " --> pdb=" O METDN 11 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N GLUDN 13 " --> pdb=" O VALDN 76 " (cutoff:3.500A) Processing sheet with id=AG3, first strand: chain 'AO' and resid 2 through 9 removed outlier: 6.806A pdb=" N VALAO 26 " --> pdb=" O GLUAO 7 " (cutoff:3.500A) removed outlier: 4.955A pdb=" N THRAO 9 " --> pdb=" O LEUAO 24 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N LEUAO 24 " --> pdb=" O THRAO 9 " (cutoff:3.500A) removed outlier: 7.879A pdb=" N ILEAO 73 " --> pdb=" O VALAO 37 " (cutoff:3.500A) removed outlier: 7.036A pdb=" N VALAO 39 " --> pdb=" O ILEAO 73 " (cutoff:3.500A) removed outlier: 8.310A pdb=" N GLYAO 75 " --> pdb=" O VALAO 39 " (cutoff:3.500A) removed outlier: 6.468A pdb=" N LEUAO 51 " --> pdb=" O ILEAO 74 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N ILEAO 76 " --> pdb=" O TRPAO 49 " (cutoff:3.500A) removed outlier: 7.543A pdb=" N TRPAO 49 " --> pdb=" O ILEAO 76 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain 'BO' and resid 34 through 42 removed outlier: 5.583A pdb=" N LEUBO 35 " --> pdb=" O ARGBO 51 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N ARGBO 51 " --> pdb=" O LEUBO 35 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N TYRBO 45 " --> pdb=" O VALBO 41 " (cutoff:3.500A) removed outlier: 6.922A pdb=" N LEUBO 9 " --> pdb=" O ILEBO 80 " (cutoff:3.500A) removed outlier: 4.591A pdb=" N ILEBO 80 " --> pdb=" O LEUBO 9 " (cutoff:3.500A) removed outlier: 6.808A pdb=" N METBO 11 " --> pdb=" O ALABO 78 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N ALABO 78 " --> pdb=" O METBO 11 " (cutoff:3.500A) removed outlier: 6.550A pdb=" N GLUBO 13 " --> pdb=" O VALBO 76 " (cutoff:3.500A) Processing sheet with id=AG5, first strand: chain 'CO' and resid 34 through 42 removed outlier: 6.736A pdb=" N LEUCO 49 " --> pdb=" O VALCO 36 " (cutoff:3.500A) removed outlier: 4.206A pdb=" N ARGCO 38 " --> pdb=" O THRCO 47 " (cutoff:3.500A) removed outlier: 6.479A pdb=" N THRCO 47 " --> pdb=" O ARGCO 38 " (cutoff:3.500A) removed outlier: 4.554A pdb=" N PHECO 40 " --> pdb=" O TYRCO 45 " (cutoff:3.500A) removed outlier: 6.927A pdb=" N TYRCO 45 " --> pdb=" O PHECO 40 " (cutoff:3.500A) removed outlier: 6.813A pdb=" N LEUCO 9 " --> pdb=" O ILECO 80 " (cutoff:3.500A) removed outlier: 4.480A pdb=" N ILECO 80 " --> pdb=" O LEUCO 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METCO 11 " --> pdb=" O ALACO 78 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N ALACO 78 " --> pdb=" O METCO 11 " (cutoff:3.500A) removed outlier: 6.461A pdb=" N GLUCO 13 " --> pdb=" O VALCO 76 " (cutoff:3.500A) Processing sheet with id=AG6, first strand: chain 'DO' and resid 34 through 42 removed outlier: 5.607A pdb=" N LEUDO 35 " --> pdb=" O ARGDO 51 " (cutoff:3.500A) removed outlier: 6.750A pdb=" N ARGDO 51 " --> pdb=" O LEUDO 35 " (cutoff:3.500A) removed outlier: 6.583A pdb=" N TYRDO 45 " --> pdb=" O VALDO 41 " (cutoff:3.500A) removed outlier: 6.812A pdb=" N LEUDO 9 " --> pdb=" O ILEDO 80 " (cutoff:3.500A) removed outlier: 4.504A pdb=" N ILEDO 80 " --> pdb=" O LEUDO 9 " (cutoff:3.500A) removed outlier: 6.689A pdb=" N METDO 11 " --> pdb=" O ALADO 78 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N ALADO 78 " --> pdb=" O METDO 11 " (cutoff:3.500A) removed outlier: 6.571A pdb=" N GLUDO 13 " --> pdb=" O VALDO 76 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain 'AP' and resid 2 through 9 removed outlier: 6.774A pdb=" N VALAP 26 " --> pdb=" O GLUAP 7 " (cutoff:3.500A) removed outlier: 4.858A pdb=" N THRAP 9 " --> pdb=" O LEUAP 24 " (cutoff:3.500A) removed outlier: 7.615A pdb=" N LEUAP 24 " --> pdb=" O THRAP 9 " (cutoff:3.500A) removed outlier: 7.909A pdb=" N ILEAP 73 " --> pdb=" O VALAP 37 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N VALAP 39 " --> pdb=" O ILEAP 73 " (cutoff:3.500A) removed outlier: 8.327A pdb=" N GLYAP 75 " --> pdb=" O VALAP 39 " (cutoff:3.500A) removed outlier: 6.535A pdb=" N LEUAP 51 " --> pdb=" O ILEAP 74 " (cutoff:3.500A) removed outlier: 4.943A pdb=" N ILEAP 76 " --> pdb=" O TRPAP 49 " (cutoff:3.500A) removed outlier: 7.609A pdb=" N TRPAP 49 " --> pdb=" O ILEAP 76 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain 'BP' and resid 34 through 42 removed outlier: 5.596A pdb=" N LEUBP 35 " --> pdb=" O ARGBP 51 " (cutoff:3.500A) removed outlier: 6.621A pdb=" N ARGBP 51 " --> pdb=" O LEUBP 35 " (cutoff:3.500A) removed outlier: 6.559A pdb=" N TYRBP 45 " --> pdb=" O VALBP 41 " (cutoff:3.500A) removed outlier: 6.920A pdb=" N LEUBP 9 " --> pdb=" O ILEBP 80 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N ILEBP 80 " --> pdb=" O LEUBP 9 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N METBP 11 " --> pdb=" O ALABP 78 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N ALABP 78 " --> pdb=" O METBP 11 " (cutoff:3.500A) removed outlier: 6.532A pdb=" N GLUBP 13 " --> pdb=" O VALBP 76 " (cutoff:3.500A) Processing sheet with id=AG9, first strand: chain 'CP' and resid 34 through 40 removed outlier: 6.719A pdb=" N LEUCP 49 " --> pdb=" O VALCP 36 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N ARGCP 38 " --> pdb=" O THRCP 47 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N THRCP 47 " --> pdb=" O ARGCP 38 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N PHECP 40 " --> pdb=" O TYRCP 45 " (cutoff:3.500A) removed outlier: 6.910A pdb=" N TYRCP 45 " --> pdb=" O PHECP 40 " (cutoff:3.500A) removed outlier: 6.831A pdb=" N LEUCP 9 " --> pdb=" O ILECP 80 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N ILECP 80 " --> pdb=" O LEUCP 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METCP 11 " --> pdb=" O ALACP 78 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N ALACP 78 " --> pdb=" O METCP 11 " (cutoff:3.500A) removed outlier: 6.438A pdb=" N GLUCP 13 " --> pdb=" O VALCP 76 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'DP' and resid 34 through 42 removed outlier: 5.593A pdb=" N LEUDP 35 " --> pdb=" O ARGDP 51 " (cutoff:3.500A) removed outlier: 6.755A pdb=" N ARGDP 51 " --> pdb=" O LEUDP 35 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N TYRDP 45 " --> pdb=" O VALDP 41 " (cutoff:3.500A) removed outlier: 6.210A pdb=" N ARGDP 15 " --> pdb=" O LEUDP 75 " (cutoff:3.500A) removed outlier: 6.622A pdb=" N LEUDP 75 " --> pdb=" O ARGDP 15 " (cutoff:3.500A) Processing sheet with id=AH2, first strand: chain 'AQ' and resid 2 through 9 removed outlier: 6.774A pdb=" N VALAQ 26 " --> pdb=" O GLUAQ 7 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N THRAQ 9 " --> pdb=" O LEUAQ 24 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N LEUAQ 24 " --> pdb=" O THRAQ 9 " (cutoff:3.500A) removed outlier: 7.858A pdb=" N ILEAQ 73 " --> pdb=" O VALAQ 37 " (cutoff:3.500A) removed outlier: 7.036A pdb=" N VALAQ 39 " --> pdb=" O ILEAQ 73 " (cutoff:3.500A) removed outlier: 8.292A pdb=" N GLYAQ 75 " --> pdb=" O VALAQ 39 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEUAQ 51 " --> pdb=" O ILEAQ 74 " (cutoff:3.500A) removed outlier: 4.963A pdb=" N ILEAQ 76 " --> pdb=" O TRPAQ 49 " (cutoff:3.500A) removed outlier: 7.561A pdb=" N TRPAQ 49 " --> pdb=" O ILEAQ 76 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain 'BQ' and resid 34 through 42 removed outlier: 5.629A pdb=" N LEUBQ 35 " --> pdb=" O ARGBQ 51 " (cutoff:3.500A) removed outlier: 6.601A pdb=" N ARGBQ 51 " --> pdb=" O LEUBQ 35 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLYBQ 37 " --> pdb=" O LEUBQ 49 " (cutoff:3.500A) removed outlier: 6.597A pdb=" N TYRBQ 45 " --> pdb=" O VALBQ 41 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N LEUBQ 9 " --> pdb=" O ILEBQ 80 " (cutoff:3.500A) removed outlier: 4.664A pdb=" N ILEBQ 80 " --> pdb=" O LEUBQ 9 " (cutoff:3.500A) removed outlier: 6.794A pdb=" N METBQ 11 " --> pdb=" O ALABQ 78 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ALABQ 78 " --> pdb=" O METBQ 11 " (cutoff:3.500A) removed outlier: 6.570A pdb=" N GLUBQ 13 " --> pdb=" O VALBQ 76 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'CQ' and resid 34 through 42 removed outlier: 6.732A pdb=" N LEUCQ 49 " --> pdb=" O VALCQ 36 " (cutoff:3.500A) removed outlier: 4.262A pdb=" N ARGCQ 38 " --> pdb=" O THRCQ 47 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N THRCQ 47 " --> pdb=" O ARGCQ 38 " (cutoff:3.500A) removed outlier: 4.631A pdb=" N PHECQ 40 " --> pdb=" O TYRCQ 45 " (cutoff:3.500A) removed outlier: 7.010A pdb=" N TYRCQ 45 " --> pdb=" O PHECQ 40 " (cutoff:3.500A) removed outlier: 6.831A pdb=" N LEUCQ 9 " --> pdb=" O ILECQ 80 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N ILECQ 80 " --> pdb=" O LEUCQ 9 " (cutoff:3.500A) removed outlier: 6.769A pdb=" N METCQ 11 " --> pdb=" O ALACQ 78 " (cutoff:3.500A) removed outlier: 4.327A pdb=" N ALACQ 78 " --> pdb=" O METCQ 11 " (cutoff:3.500A) removed outlier: 6.443A pdb=" N GLUCQ 13 " --> pdb=" O VALCQ 76 " (cutoff:3.500A) Processing sheet with id=AH5, first strand: chain 'DQ' and resid 34 through 42 removed outlier: 5.627A pdb=" N LEUDQ 35 " --> pdb=" O ARGDQ 51 " (cutoff:3.500A) removed outlier: 6.750A pdb=" N ARGDQ 51 " --> pdb=" O LEUDQ 35 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N GLYDQ 37 " --> pdb=" O LEUDQ 49 " (cutoff:3.500A) removed outlier: 6.571A pdb=" N TYRDQ 45 " --> pdb=" O VALDQ 41 " (cutoff:3.500A) removed outlier: 6.818A pdb=" N LEUDQ 9 " --> pdb=" O ILEDQ 80 " (cutoff:3.500A) removed outlier: 4.482A pdb=" N ILEDQ 80 " --> pdb=" O LEUDQ 9 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N METDQ 11 " --> pdb=" O ALADQ 78 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N ALADQ 78 " --> pdb=" O METDQ 11 " (cutoff:3.500A) removed outlier: 6.588A pdb=" N GLUDQ 13 " --> pdb=" O VALDQ 76 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'AR' and resid 2 through 9 removed outlier: 6.796A pdb=" N VALAR 26 " --> pdb=" O GLUAR 7 " (cutoff:3.500A) removed outlier: 4.945A pdb=" N THRAR 9 " --> pdb=" O LEUAR 24 " (cutoff:3.500A) removed outlier: 7.698A pdb=" N LEUAR 24 " --> pdb=" O THRAR 9 " (cutoff:3.500A) removed outlier: 7.870A pdb=" N ILEAR 73 " --> pdb=" O VALAR 37 " (cutoff:3.500A) removed outlier: 7.075A pdb=" N VALAR 39 " --> pdb=" O ILEAR 73 " (cutoff:3.500A) removed outlier: 8.307A pdb=" N GLYAR 75 " --> pdb=" O VALAR 39 " (cutoff:3.500A) removed outlier: 6.510A pdb=" N LEUAR 51 " --> pdb=" O ILEAR 74 " (cutoff:3.500A) removed outlier: 4.952A pdb=" N ILEAR 76 " --> pdb=" O TRPAR 49 " (cutoff:3.500A) removed outlier: 7.564A pdb=" N TRPAR 49 " --> pdb=" O ILEAR 76 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'BR' and resid 34 through 42 removed outlier: 5.615A pdb=" N LEUBR 35 " --> pdb=" O ARGBR 51 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N ARGBR 51 " --> pdb=" O LEUBR 35 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N GLYBR 37 " --> pdb=" O LEUBR 49 " (cutoff:3.500A) removed outlier: 6.605A pdb=" N TYRBR 45 " --> pdb=" O VALBR 41 " (cutoff:3.500A) removed outlier: 6.917A pdb=" N LEUBR 9 " --> pdb=" O ILEBR 80 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ILEBR 80 " --> pdb=" O LEUBR 9 " (cutoff:3.500A) removed outlier: 6.745A pdb=" N METBR 11 " --> pdb=" O ALABR 78 " (cutoff:3.500A) removed outlier: 4.289A pdb=" N ALABR 78 " --> pdb=" O METBR 11 " (cutoff:3.500A) removed outlier: 6.495A pdb=" N GLUBR 13 " --> pdb=" O VALBR 76 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain 'CR' and resid 34 through 42 removed outlier: 6.784A pdb=" N LEUCR 49 " --> pdb=" O VALCR 36 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N ARGCR 38 " --> pdb=" O THRCR 47 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N THRCR 47 " --> pdb=" O ARGCR 38 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHECR 40 " --> pdb=" O TYRCR 45 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N TYRCR 45 " --> pdb=" O PHECR 40 " (cutoff:3.500A) removed outlier: 6.803A pdb=" N LEUCR 9 " --> pdb=" O ILECR 80 " (cutoff:3.500A) removed outlier: 4.459A pdb=" N ILECR 80 " --> pdb=" O LEUCR 9 " (cutoff:3.500A) removed outlier: 6.730A pdb=" N METCR 11 " --> pdb=" O ALACR 78 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ALACR 78 " --> pdb=" O METCR 11 " (cutoff:3.500A) removed outlier: 6.452A pdb=" N GLUCR 13 " --> pdb=" O VALCR 76 " (cutoff:3.500A) Processing sheet with id=AH9, first strand: chain 'DR' and resid 34 through 40 removed outlier: 6.707A pdb=" N LEUDR 49 " --> pdb=" O VALDR 36 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N ARGDR 38 " --> pdb=" O THRDR 47 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N THRDR 47 " --> pdb=" O ARGDR 38 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N PHEDR 40 " --> pdb=" O TYRDR 45 " (cutoff:3.500A) removed outlier: 7.068A pdb=" N TYRDR 45 " --> pdb=" O PHEDR 40 " (cutoff:3.500A) removed outlier: 6.801A pdb=" N LEUDR 9 " --> pdb=" O ILEDR 80 " (cutoff:3.500A) removed outlier: 4.464A pdb=" N ILEDR 80 " --> pdb=" O LEUDR 9 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N METDR 11 " --> pdb=" O ALADR 78 " (cutoff:3.500A) removed outlier: 4.323A pdb=" N ALADR 78 " --> pdb=" O METDR 11 " (cutoff:3.500A) removed outlier: 6.549A pdb=" N GLUDR 13 " --> pdb=" O VALDR 76 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain 'AS' and resid 2 through 9 removed outlier: 6.786A pdb=" N VALAS 26 " --> pdb=" O GLUAS 7 " (cutoff:3.500A) removed outlier: 4.895A pdb=" N THRAS 9 " --> pdb=" O LEUAS 24 " (cutoff:3.500A) removed outlier: 7.611A pdb=" N LEUAS 24 " --> pdb=" O THRAS 9 " (cutoff:3.500A) removed outlier: 7.897A pdb=" N ILEAS 73 " --> pdb=" O VALAS 37 " (cutoff:3.500A) removed outlier: 7.044A pdb=" N VALAS 39 " --> pdb=" O ILEAS 73 " (cutoff:3.500A) removed outlier: 8.295A pdb=" N GLYAS 75 " --> pdb=" O VALAS 39 " (cutoff:3.500A) removed outlier: 5.566A pdb=" N ILEAS 73 " --> pdb=" O VALAS 53 " (cutoff:3.500A) removed outlier: 6.768A pdb=" N VALAS 53 " --> pdb=" O ILEAS 73 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLYAS 75 " --> pdb=" O LEUAS 51 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'BS' and resid 34 through 40 removed outlier: 5.602A pdb=" N LEUBS 35 " --> pdb=" O ARGBS 51 " (cutoff:3.500A) removed outlier: 6.696A pdb=" N ARGBS 51 " --> pdb=" O LEUBS 35 " (cutoff:3.500A) removed outlier: 6.927A pdb=" N LEUBS 9 " --> pdb=" O ILEBS 80 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILEBS 80 " --> pdb=" O LEUBS 9 " (cutoff:3.500A) removed outlier: 6.785A pdb=" N METBS 11 " --> pdb=" O ALABS 78 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N ALABS 78 " --> pdb=" O METBS 11 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N GLUBS 13 " --> pdb=" O VALBS 76 " (cutoff:3.500A) Processing sheet with id=AI3, first strand: chain 'CS' and resid 34 through 42 removed outlier: 6.757A pdb=" N LEUCS 49 " --> pdb=" O VALCS 36 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ARGCS 38 " --> pdb=" O THRCS 47 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N THRCS 47 " --> pdb=" O ARGCS 38 " (cutoff:3.500A) removed outlier: 4.597A pdb=" N PHECS 40 " --> pdb=" O TYRCS 45 " (cutoff:3.500A) removed outlier: 6.952A pdb=" N TYRCS 45 " --> pdb=" O PHECS 40 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUCS 9 " --> pdb=" O ILECS 80 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N ILECS 80 " --> pdb=" O LEUCS 9 " (cutoff:3.500A) removed outlier: 6.731A pdb=" N METCS 11 " --> pdb=" O ALACS 78 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALACS 78 " --> pdb=" O METCS 11 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N GLUCS 13 " --> pdb=" O VALCS 76 " (cutoff:3.500A) Processing sheet with id=AI4, first strand: chain 'DS' and resid 34 through 42 removed outlier: 5.654A pdb=" N LEUDS 35 " --> pdb=" O ARGDS 51 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N ARGDS 51 " --> pdb=" O LEUDS 35 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N GLYDS 37 " --> pdb=" O LEUDS 49 " (cutoff:3.500A) removed outlier: 6.558A pdb=" N TYRDS 45 " --> pdb=" O VALDS 41 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUDS 9 " --> pdb=" O ILEDS 80 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N ILEDS 80 " --> pdb=" O LEUDS 9 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N METDS 11 " --> pdb=" O ALADS 78 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N ALADS 78 " --> pdb=" O METDS 11 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N GLUDS 13 " --> pdb=" O VALDS 76 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'AT' and resid 2 through 9 removed outlier: 6.806A pdb=" N VALAT 26 " --> pdb=" O GLUAT 7 " (cutoff:3.500A) removed outlier: 4.956A pdb=" N THRAT 9 " --> pdb=" O LEUAT 24 " (cutoff:3.500A) removed outlier: 7.665A pdb=" N LEUAT 24 " --> pdb=" O THRAT 9 " (cutoff:3.500A) removed outlier: 7.875A pdb=" N ILEAT 73 " --> pdb=" O VALAT 37 " (cutoff:3.500A) removed outlier: 7.026A pdb=" N VALAT 39 " --> pdb=" O ILEAT 73 " (cutoff:3.500A) removed outlier: 8.310A pdb=" N GLYAT 75 " --> pdb=" O VALAT 39 " (cutoff:3.500A) removed outlier: 6.468A pdb=" N LEUAT 51 " --> pdb=" O ILEAT 74 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N ILEAT 76 " --> pdb=" O TRPAT 49 " (cutoff:3.500A) removed outlier: 7.542A pdb=" N TRPAT 49 " --> pdb=" O ILEAT 76 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'BT' and resid 34 through 42 removed outlier: 5.591A pdb=" N LEUBT 35 " --> pdb=" O ARGBT 51 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N ARGBT 51 " --> pdb=" O LEUBT 35 " (cutoff:3.500A) removed outlier: 6.587A pdb=" N TYRBT 45 " --> pdb=" O VALBT 41 " (cutoff:3.500A) removed outlier: 6.918A pdb=" N LEUBT 9 " --> pdb=" O ILEBT 80 " (cutoff:3.500A) removed outlier: 4.587A pdb=" N ILEBT 80 " --> pdb=" O LEUBT 9 " (cutoff:3.500A) removed outlier: 6.805A pdb=" N METBT 11 " --> pdb=" O ALABT 78 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ALABT 78 " --> pdb=" O METBT 11 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLUBT 13 " --> pdb=" O VALBT 76 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain 'CT' and resid 34 through 42 removed outlier: 6.736A pdb=" N LEUCT 49 " --> pdb=" O VALCT 36 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N ARGCT 38 " --> pdb=" O THRCT 47 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THRCT 47 " --> pdb=" O ARGCT 38 " (cutoff:3.500A) removed outlier: 4.552A pdb=" N PHECT 40 " --> pdb=" O TYRCT 45 " (cutoff:3.500A) removed outlier: 6.926A pdb=" N TYRCT 45 " --> pdb=" O PHECT 40 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N LEUCT 9 " --> pdb=" O ILECT 80 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILECT 80 " --> pdb=" O LEUCT 9 " (cutoff:3.500A) removed outlier: 6.761A pdb=" N METCT 11 " --> pdb=" O ALACT 78 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N ALACT 78 " --> pdb=" O METCT 11 " (cutoff:3.500A) removed outlier: 6.462A pdb=" N GLUCT 13 " --> pdb=" O VALCT 76 " (cutoff:3.500A) Processing sheet with id=AI8, first strand: chain 'DT' and resid 34 through 42 removed outlier: 5.580A pdb=" N LEUDT 35 " --> pdb=" O ARGDT 51 " (cutoff:3.500A) removed outlier: 6.778A pdb=" N ARGDT 51 " --> pdb=" O LEUDT 35 " (cutoff:3.500A) removed outlier: 6.564A pdb=" N TYRDT 45 " --> pdb=" O VALDT 41 " (cutoff:3.500A) removed outlier: 6.824A pdb=" N LEUDT 9 " --> pdb=" O ILEDT 80 " (cutoff:3.500A) removed outlier: 4.518A pdb=" N ILEDT 80 " --> pdb=" O LEUDT 9 " (cutoff:3.500A) removed outlier: 6.701A pdb=" N METDT 11 " --> pdb=" O ALADT 78 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N ALADT 78 " --> pdb=" O METDT 11 " (cutoff:3.500A) removed outlier: 6.597A pdb=" N GLUDT 13 " --> pdb=" O VALDT 76 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain 'AV' and resid 2 through 9 removed outlier: 6.799A pdb=" N VALAV 26 " --> pdb=" O GLUAV 7 " (cutoff:3.500A) removed outlier: 4.881A pdb=" N THRAV 9 " --> pdb=" O LEUAV 24 " (cutoff:3.500A) removed outlier: 7.631A pdb=" N LEUAV 24 " --> pdb=" O THRAV 9 " (cutoff:3.500A) removed outlier: 7.893A pdb=" N ILEAV 73 " --> pdb=" O VALAV 37 " (cutoff:3.500A) removed outlier: 7.099A pdb=" N VALAV 39 " --> pdb=" O ILEAV 73 " (cutoff:3.500A) removed outlier: 8.325A pdb=" N GLYAV 75 " --> pdb=" O VALAV 39 " (cutoff:3.500A) removed outlier: 6.508A pdb=" N LEUAV 51 " --> pdb=" O ILEAV 74 " (cutoff:3.500A) removed outlier: 4.953A pdb=" N ILEAV 76 " --> pdb=" O TRPAV 49 " (cutoff:3.500A) removed outlier: 7.621A pdb=" N TRPAV 49 " --> pdb=" O ILEAV 76 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'BV' and resid 34 through 42 removed outlier: 5.597A pdb=" N LEUBV 35 " --> pdb=" O ARGBV 51 " (cutoff:3.500A) removed outlier: 6.623A pdb=" N ARGBV 51 " --> pdb=" O LEUBV 35 " (cutoff:3.500A) removed outlier: 6.557A pdb=" N TYRBV 45 " --> pdb=" O VALBV 41 " (cutoff:3.500A) removed outlier: 6.919A pdb=" N LEUBV 9 " --> pdb=" O ILEBV 80 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N ILEBV 80 " --> pdb=" O LEUBV 9 " (cutoff:3.500A) removed outlier: 6.759A pdb=" N METBV 11 " --> pdb=" O ALABV 78 " (cutoff:3.500A) removed outlier: 4.311A pdb=" N ALABV 78 " --> pdb=" O METBV 11 " (cutoff:3.500A) removed outlier: 6.531A pdb=" N GLUBV 13 " --> pdb=" O VALBV 76 " (cutoff:3.500A) Processing sheet with id=AJ2, first strand: chain 'CV' and resid 34 through 40 removed outlier: 6.718A pdb=" N LEUCV 49 " --> pdb=" O VALCV 36 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N ARGCV 38 " --> pdb=" O THRCV 47 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N THRCV 47 " --> pdb=" O ARGCV 38 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N PHECV 40 " --> pdb=" O TYRCV 45 " (cutoff:3.500A) removed outlier: 6.911A pdb=" N TYRCV 45 " --> pdb=" O PHECV 40 " (cutoff:3.500A) removed outlier: 6.832A pdb=" N LEUCV 9 " --> pdb=" O ILECV 80 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ILECV 80 " --> pdb=" O LEUCV 9 " (cutoff:3.500A) removed outlier: 6.764A pdb=" N METCV 11 " --> pdb=" O ALACV 78 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N ALACV 78 " --> pdb=" O METCV 11 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N GLUCV 13 " --> pdb=" O VALCV 76 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'DV' and resid 34 through 42 removed outlier: 5.598A pdb=" N LEUDV 35 " --> pdb=" O ARGDV 51 " (cutoff:3.500A) removed outlier: 6.755A pdb=" N ARGDV 51 " --> pdb=" O LEUDV 35 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N TYRDV 45 " --> pdb=" O VALDV 41 " (cutoff:3.500A) removed outlier: 6.197A pdb=" N ARGDV 15 " --> pdb=" O LEUDV 75 " (cutoff:3.500A) removed outlier: 6.621A pdb=" N LEUDV 75 " --> pdb=" O ARGDV 15 " (cutoff:3.500A) Processing sheet with id=AJ4, first strand: chain 'AW' and resid 2 through 9 removed outlier: 6.773A pdb=" N VALAW 26 " --> pdb=" O GLUAW 7 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N THRAW 9 " --> pdb=" O LEUAW 24 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N LEUAW 24 " --> pdb=" O THRAW 9 " (cutoff:3.500A) removed outlier: 7.858A pdb=" N ILEAW 73 " --> pdb=" O VALAW 37 " (cutoff:3.500A) removed outlier: 7.036A pdb=" N VALAW 39 " --> pdb=" O ILEAW 73 " (cutoff:3.500A) removed outlier: 8.291A pdb=" N GLYAW 75 " --> pdb=" O VALAW 39 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N LEUAW 51 " --> pdb=" O ILEAW 74 " (cutoff:3.500A) removed outlier: 4.949A pdb=" N ILEAW 76 " --> pdb=" O TRPAW 49 " (cutoff:3.500A) removed outlier: 7.566A pdb=" N TRPAW 49 " --> pdb=" O ILEAW 76 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'BW' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUBW 35 " --> pdb=" O ARGBW 51 " (cutoff:3.500A) removed outlier: 6.613A pdb=" N ARGBW 51 " --> pdb=" O LEUBW 35 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLYBW 37 " --> pdb=" O LEUBW 49 " (cutoff:3.500A) removed outlier: 6.597A pdb=" N TYRBW 45 " --> pdb=" O VALBW 41 " (cutoff:3.500A) removed outlier: 6.975A pdb=" N LEUBW 9 " --> pdb=" O ILEBW 80 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N ILEBW 80 " --> pdb=" O LEUBW 9 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N METBW 11 " --> pdb=" O ALABW 78 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N ALABW 78 " --> pdb=" O METBW 11 " (cutoff:3.500A) removed outlier: 6.575A pdb=" N GLUBW 13 " --> pdb=" O VALBW 76 " (cutoff:3.500A) Processing sheet with id=AJ6, first strand: chain 'CW' and resid 34 through 42 removed outlier: 6.733A pdb=" N LEUCW 49 " --> pdb=" O VALCW 36 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N ARGCW 38 " --> pdb=" O THRCW 47 " (cutoff:3.500A) removed outlier: 6.518A pdb=" N THRCW 47 " --> pdb=" O ARGCW 38 " (cutoff:3.500A) removed outlier: 4.630A pdb=" N PHECW 40 " --> pdb=" O TYRCW 45 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N TYRCW 45 " --> pdb=" O PHECW 40 " (cutoff:3.500A) removed outlier: 6.833A pdb=" N LEUCW 9 " --> pdb=" O ILECW 80 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N ILECW 80 " --> pdb=" O LEUCW 9 " (cutoff:3.500A) removed outlier: 6.770A pdb=" N METCW 11 " --> pdb=" O ALACW 78 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N ALACW 78 " --> pdb=" O METCW 11 " (cutoff:3.500A) removed outlier: 6.445A pdb=" N GLUCW 13 " --> pdb=" O VALCW 76 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain 'DW' and resid 34 through 42 removed outlier: 5.627A pdb=" N LEUDW 35 " --> pdb=" O ARGDW 51 " (cutoff:3.500A) removed outlier: 6.749A pdb=" N ARGDW 51 " --> pdb=" O LEUDW 35 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N GLYDW 37 " --> pdb=" O LEUDW 49 " (cutoff:3.500A) removed outlier: 6.574A pdb=" N TYRDW 45 " --> pdb=" O VALDW 41 " (cutoff:3.500A) removed outlier: 6.814A pdb=" N LEUDW 9 " --> pdb=" O ILEDW 80 " (cutoff:3.500A) removed outlier: 4.485A pdb=" N ILEDW 80 " --> pdb=" O LEUDW 9 " (cutoff:3.500A) removed outlier: 6.679A pdb=" N METDW 11 " --> pdb=" O ALADW 78 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N ALADW 78 " --> pdb=" O METDW 11 " (cutoff:3.500A) removed outlier: 6.587A pdb=" N GLUDW 13 " --> pdb=" O VALDW 76 " (cutoff:3.500A) Processing sheet with id=AJ8, first strand: chain 'AX' and resid 2 through 9 removed outlier: 6.770A pdb=" N VALAX 26 " --> pdb=" O GLUAX 7 " (cutoff:3.500A) removed outlier: 4.935A pdb=" N THRAX 9 " --> pdb=" O LEUAX 24 " (cutoff:3.500A) removed outlier: 7.692A pdb=" N LEUAX 24 " --> pdb=" O THRAX 9 " (cutoff:3.500A) removed outlier: 7.872A pdb=" N ILEAX 73 " --> pdb=" O VALAX 37 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N VALAX 39 " --> pdb=" O ILEAX 73 " (cutoff:3.500A) removed outlier: 8.305A pdb=" N GLYAX 75 " --> pdb=" O VALAX 39 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N LEUAX 51 " --> pdb=" O ILEAX 74 " (cutoff:3.500A) removed outlier: 4.945A pdb=" N ILEAX 76 " --> pdb=" O TRPAX 49 " (cutoff:3.500A) removed outlier: 7.549A pdb=" N TRPAX 49 " --> pdb=" O ILEAX 76 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'BX' and resid 34 through 42 removed outlier: 5.615A pdb=" N LEUBX 35 " --> pdb=" O ARGBX 51 " (cutoff:3.500A) removed outlier: 6.602A pdb=" N ARGBX 51 " --> pdb=" O LEUBX 35 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLYBX 37 " --> pdb=" O LEUBX 49 " (cutoff:3.500A) removed outlier: 6.605A pdb=" N TYRBX 45 " --> pdb=" O VALBX 41 " (cutoff:3.500A) removed outlier: 6.919A pdb=" N LEUBX 9 " --> pdb=" O ILEBX 80 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N ILEBX 80 " --> pdb=" O LEUBX 9 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N METBX 11 " --> pdb=" O ALABX 78 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N ALABX 78 " --> pdb=" O METBX 11 " (cutoff:3.500A) removed outlier: 6.494A pdb=" N GLUBX 13 " --> pdb=" O VALBX 76 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain 'CX' and resid 34 through 42 removed outlier: 6.785A pdb=" N LEUCX 49 " --> pdb=" O VALCX 36 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N ARGCX 38 " --> pdb=" O THRCX 47 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N THRCX 47 " --> pdb=" O ARGCX 38 " (cutoff:3.500A) removed outlier: 4.627A pdb=" N PHECX 40 " --> pdb=" O TYRCX 45 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N TYRCX 45 " --> pdb=" O PHECX 40 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N LEUCX 9 " --> pdb=" O ILECX 80 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N ILECX 80 " --> pdb=" O LEUCX 9 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N METCX 11 " --> pdb=" O ALACX 78 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N ALACX 78 " --> pdb=" O METCX 11 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N GLUCX 13 " --> pdb=" O VALCX 76 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'DX' and resid 34 through 42 removed outlier: 6.709A pdb=" N LEUDX 49 " --> pdb=" O VALDX 36 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N ARGDX 38 " --> pdb=" O THRDX 47 " (cutoff:3.500A) removed outlier: 6.603A pdb=" N THRDX 47 " --> pdb=" O ARGDX 38 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N PHEDX 40 " --> pdb=" O TYRDX 45 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N TYRDX 45 " --> pdb=" O PHEDX 40 " (cutoff:3.500A) removed outlier: 6.801A pdb=" N LEUDX 9 " --> pdb=" O ILEDX 80 " (cutoff:3.500A) removed outlier: 4.462A pdb=" N ILEDX 80 " --> pdb=" O LEUDX 9 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N METDX 11 " --> pdb=" O ALADX 78 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N ALADX 78 " --> pdb=" O METDX 11 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N GLUDX 13 " --> pdb=" O VALDX 76 " (cutoff:3.500A) Processing sheet with id=AK3, first strand: chain 'AY' and resid 2 through 9 removed outlier: 6.789A pdb=" N VALAY 26 " --> pdb=" O GLUAY 7 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N THRAY 9 " --> pdb=" O LEUAY 24 " (cutoff:3.500A) removed outlier: 7.605A pdb=" N LEUAY 24 " --> pdb=" O THRAY 9 " (cutoff:3.500A) removed outlier: 7.884A pdb=" N ILEAY 73 " --> pdb=" O VALAY 37 " (cutoff:3.500A) removed outlier: 7.047A pdb=" N VALAY 39 " --> pdb=" O ILEAY 73 " (cutoff:3.500A) removed outlier: 8.300A pdb=" N GLYAY 75 " --> pdb=" O VALAY 39 " (cutoff:3.500A) removed outlier: 5.561A pdb=" N ILEAY 73 " --> pdb=" O VALAY 53 " (cutoff:3.500A) removed outlier: 6.760A pdb=" N VALAY 53 " --> pdb=" O ILEAY 73 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N GLYAY 75 " --> pdb=" O LEUAY 51 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'BY' and resid 34 through 42 removed outlier: 5.597A pdb=" N LEUBY 35 " --> pdb=" O ARGBY 51 " (cutoff:3.500A) removed outlier: 6.693A pdb=" N ARGBY 51 " --> pdb=" O LEUBY 35 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N TYRBY 45 " --> pdb=" O VALBY 41 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N LEUBY 9 " --> pdb=" O ILEBY 80 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILEBY 80 " --> pdb=" O LEUBY 9 " (cutoff:3.500A) removed outlier: 6.777A pdb=" N METBY 11 " --> pdb=" O ALABY 78 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N ALABY 78 " --> pdb=" O METBY 11 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N GLUBY 13 " --> pdb=" O VALBY 76 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'CY' and resid 34 through 42 removed outlier: 6.757A pdb=" N LEUCY 49 " --> pdb=" O VALCY 36 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ARGCY 38 " --> pdb=" O THRCY 47 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N THRCY 47 " --> pdb=" O ARGCY 38 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N PHECY 40 " --> pdb=" O TYRCY 45 " (cutoff:3.500A) removed outlier: 6.947A pdb=" N TYRCY 45 " --> pdb=" O PHECY 40 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUCY 9 " --> pdb=" O ILECY 80 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N ILECY 80 " --> pdb=" O LEUCY 9 " (cutoff:3.500A) removed outlier: 6.732A pdb=" N METCY 11 " --> pdb=" O ALACY 78 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALACY 78 " --> pdb=" O METCY 11 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N GLUCY 13 " --> pdb=" O VALCY 76 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain 'DY' and resid 34 through 42 removed outlier: 5.660A pdb=" N LEUDY 35 " --> pdb=" O ARGDY 51 " (cutoff:3.500A) removed outlier: 6.722A pdb=" N ARGDY 51 " --> pdb=" O LEUDY 35 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLYDY 37 " --> pdb=" O LEUDY 49 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N TYRDY 45 " --> pdb=" O VALDY 41 " (cutoff:3.500A) removed outlier: 6.781A pdb=" N LEUDY 9 " --> pdb=" O ILEDY 80 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N ILEDY 80 " --> pdb=" O LEUDY 9 " (cutoff:3.500A) removed outlier: 6.636A pdb=" N METDY 11 " --> pdb=" O ALADY 78 " (cutoff:3.500A) removed outlier: 4.255A pdb=" N ALADY 78 " --> pdb=" O METDY 11 " (cutoff:3.500A) removed outlier: 6.545A pdb=" N GLUDY 13 " --> pdb=" O VALDY 76 " (cutoff:3.500A) Processing sheet with id=AK7, first strand: chain 'AZ' and resid 2 through 9 removed outlier: 6.808A pdb=" N VALAZ 26 " --> pdb=" O GLUAZ 7 " (cutoff:3.500A) removed outlier: 4.952A pdb=" N THRAZ 9 " --> pdb=" O LEUAZ 24 " (cutoff:3.500A) removed outlier: 7.662A pdb=" N LEUAZ 24 " --> pdb=" O THRAZ 9 " (cutoff:3.500A) removed outlier: 7.881A pdb=" N ILEAZ 73 " --> pdb=" O VALAZ 37 " (cutoff:3.500A) removed outlier: 7.031A pdb=" N VALAZ 39 " --> pdb=" O ILEAZ 73 " (cutoff:3.500A) removed outlier: 8.312A pdb=" N GLYAZ 75 " --> pdb=" O VALAZ 39 " (cutoff:3.500A) removed outlier: 6.467A pdb=" N LEUAZ 51 " --> pdb=" O ILEAZ 74 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILEAZ 76 " --> pdb=" O TRPAZ 49 " (cutoff:3.500A) removed outlier: 7.547A pdb=" N TRPAZ 49 " --> pdb=" O ILEAZ 76 " (cutoff:3.500A) Processing sheet with id=AK8, first strand: chain 'BZ' and resid 34 through 42 removed outlier: 5.587A pdb=" N LEUBZ 35 " --> pdb=" O ARGBZ 51 " (cutoff:3.500A) removed outlier: 6.673A pdb=" N ARGBZ 51 " --> pdb=" O LEUBZ 35 " (cutoff:3.500A) removed outlier: 6.582A pdb=" N TYRBZ 45 " --> pdb=" O VALBZ 41 " (cutoff:3.500A) removed outlier: 6.925A pdb=" N LEUBZ 9 " --> pdb=" O ILEBZ 80 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N ILEBZ 80 " --> pdb=" O LEUBZ 9 " (cutoff:3.500A) removed outlier: 6.804A pdb=" N METBZ 11 " --> pdb=" O ALABZ 78 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N ALABZ 78 " --> pdb=" O METBZ 11 " (cutoff:3.500A) removed outlier: 6.544A pdb=" N GLUBZ 13 " --> pdb=" O VALBZ 76 " (cutoff:3.500A) Processing sheet with id=AK9, first strand: chain 'CZ' and resid 34 through 42 removed outlier: 6.734A pdb=" N LEUCZ 49 " --> pdb=" O VALCZ 36 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N ARGCZ 38 " --> pdb=" O THRCZ 47 " (cutoff:3.500A) removed outlier: 6.480A pdb=" N THRCZ 47 " --> pdb=" O ARGCZ 38 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N PHECZ 40 " --> pdb=" O TYRCZ 45 " (cutoff:3.500A) removed outlier: 6.926A pdb=" N TYRCZ 45 " --> pdb=" O PHECZ 40 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N LEUCZ 9 " --> pdb=" O ILECZ 80 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILECZ 80 " --> pdb=" O LEUCZ 9 " (cutoff:3.500A) removed outlier: 6.763A pdb=" N METCZ 11 " --> pdb=" O ALACZ 78 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N ALACZ 78 " --> pdb=" O METCZ 11 " (cutoff:3.500A) removed outlier: 6.464A pdb=" N GLUCZ 13 " --> pdb=" O VALCZ 76 " (cutoff:3.500A) Processing sheet with id=AL1, first strand: chain 'DZ' and resid 34 through 42 removed outlier: 5.598A pdb=" N LEUDZ 35 " --> pdb=" O ARGDZ 51 " (cutoff:3.500A) removed outlier: 6.757A pdb=" N ARGDZ 51 " --> pdb=" O LEUDZ 35 " (cutoff:3.500A) removed outlier: 6.563A pdb=" N TYRDZ 45 " --> pdb=" O VALDZ 41 " (cutoff:3.500A) removed outlier: 6.822A pdb=" N LEUDZ 9 " --> pdb=" O ILEDZ 80 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N ILEDZ 80 " --> pdb=" O LEUDZ 9 " (cutoff:3.500A) removed outlier: 6.701A pdb=" N METDZ 11 " --> pdb=" O ALADZ 78 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ALADZ 78 " --> pdb=" O METDZ 11 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N GLUDZ 13 " --> pdb=" O VALDZ 76 " (cutoff:3.500A) Processing sheet with id=AL2, first strand: chain 'Aa' and resid 2 through 9 removed outlier: 6.774A pdb=" N VALAa 26 " --> pdb=" O GLUAa 7 " (cutoff:3.500A) removed outlier: 4.856A pdb=" N THRAa 9 " --> pdb=" O LEUAa 24 " (cutoff:3.500A) removed outlier: 7.610A pdb=" N LEUAa 24 " --> pdb=" O THRAa 9 " (cutoff:3.500A) removed outlier: 7.906A pdb=" N ILEAa 73 " --> pdb=" O VALAa 37 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N VALAa 39 " --> pdb=" O ILEAa 73 " (cutoff:3.500A) removed outlier: 8.327A pdb=" N GLYAa 75 " --> pdb=" O VALAa 39 " (cutoff:3.500A) removed outlier: 6.536A pdb=" N LEUAa 51 " --> pdb=" O ILEAa 74 " (cutoff:3.500A) removed outlier: 4.943A pdb=" N ILEAa 76 " --> pdb=" O TRPAa 49 " (cutoff:3.500A) removed outlier: 7.609A pdb=" N TRPAa 49 " --> pdb=" O ILEAa 76 " (cutoff:3.500A) Processing sheet with id=AL3, first strand: chain 'Ba' and resid 34 through 42 removed outlier: 5.597A pdb=" N LEUBa 35 " --> pdb=" O ARGBa 51 " (cutoff:3.500A) removed outlier: 6.621A pdb=" N ARGBa 51 " --> pdb=" O LEUBa 35 " (cutoff:3.500A) removed outlier: 6.558A pdb=" N TYRBa 45 " --> pdb=" O VALBa 41 " (cutoff:3.500A) removed outlier: 6.921A pdb=" N LEUBa 9 " --> pdb=" O ILEBa 80 " (cutoff:3.500A) removed outlier: 4.567A pdb=" N ILEBa 80 " --> pdb=" O LEUBa 9 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N METBa 11 " --> pdb=" O ALABa 78 " (cutoff:3.500A) removed outlier: 4.306A pdb=" N ALABa 78 " --> pdb=" O METBa 11 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLUBa 13 " --> pdb=" O VALBa 76 " (cutoff:3.500A) Processing sheet with id=AL4, first strand: chain 'Ca' and resid 34 through 40 removed outlier: 6.718A pdb=" N LEUCa 49 " --> pdb=" O VALCa 36 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N ARGCa 38 " --> pdb=" O THRCa 47 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N THRCa 47 " --> pdb=" O ARGCa 38 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N PHECa 40 " --> pdb=" O TYRCa 45 " (cutoff:3.500A) removed outlier: 6.911A pdb=" N TYRCa 45 " --> pdb=" O PHECa 40 " (cutoff:3.500A) removed outlier: 6.831A pdb=" N LEUCa 9 " --> pdb=" O ILECa 80 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ILECa 80 " --> pdb=" O LEUCa 9 " (cutoff:3.500A) removed outlier: 6.763A pdb=" N METCa 11 " --> pdb=" O ALACa 78 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ALACa 78 " --> pdb=" O METCa 11 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N GLUCa 13 " --> pdb=" O VALCa 76 " (cutoff:3.500A) Processing sheet with id=AL5, first strand: chain 'Da' and resid 34 through 42 removed outlier: 5.598A pdb=" N LEUDa 35 " --> pdb=" O ARGDa 51 " (cutoff:3.500A) removed outlier: 6.755A pdb=" N ARGDa 51 " --> pdb=" O LEUDa 35 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N TYRDa 45 " --> pdb=" O VALDa 41 " (cutoff:3.500A) removed outlier: 6.197A pdb=" N ARGDa 15 " --> pdb=" O LEUDa 75 " (cutoff:3.500A) removed outlier: 6.622A pdb=" N LEUDa 75 " --> pdb=" O ARGDa 15 " (cutoff:3.500A) Processing sheet with id=AL6, first strand: chain 'Ab' and resid 2 through 9 removed outlier: 6.767A pdb=" N VALAb 26 " --> pdb=" O GLUAb 7 " (cutoff:3.500A) removed outlier: 4.921A pdb=" N THRAb 9 " --> pdb=" O LEUAb 24 " (cutoff:3.500A) removed outlier: 7.637A pdb=" N LEUAb 24 " --> pdb=" O THRAb 9 " (cutoff:3.500A) removed outlier: 7.865A pdb=" N ILEAb 73 " --> pdb=" O VALAb 37 " (cutoff:3.500A) removed outlier: 7.036A pdb=" N VALAb 39 " --> pdb=" O ILEAb 73 " (cutoff:3.500A) removed outlier: 8.278A pdb=" N GLYAb 75 " --> pdb=" O VALAb 39 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N LEUAb 51 " --> pdb=" O ILEAb 74 " (cutoff:3.500A) removed outlier: 4.963A pdb=" N ILEAb 76 " --> pdb=" O TRPAb 49 " (cutoff:3.500A) removed outlier: 7.570A pdb=" N TRPAb 49 " --> pdb=" O ILEAb 76 " (cutoff:3.500A) Processing sheet with id=AL7, first strand: chain 'Bb' and resid 34 through 42 removed outlier: 5.629A pdb=" N LEUBb 35 " --> pdb=" O ARGBb 51 " (cutoff:3.500A) removed outlier: 6.601A pdb=" N ARGBb 51 " --> pdb=" O LEUBb 35 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLYBb 37 " --> pdb=" O LEUBb 49 " (cutoff:3.500A) removed outlier: 6.594A pdb=" N TYRBb 45 " --> pdb=" O VALBb 41 " (cutoff:3.500A) removed outlier: 6.965A pdb=" N LEUBb 9 " --> pdb=" O ILEBb 80 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N ILEBb 80 " --> pdb=" O LEUBb 9 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N METBb 11 " --> pdb=" O ALABb 78 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ALABb 78 " --> pdb=" O METBb 11 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N GLUBb 13 " --> pdb=" O VALBb 76 " (cutoff:3.500A) Processing sheet with id=AL8, first strand: chain 'Cb' and resid 34 through 42 removed outlier: 6.731A pdb=" N LEUCb 49 " --> pdb=" O VALCb 36 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N ARGCb 38 " --> pdb=" O THRCb 47 " (cutoff:3.500A) removed outlier: 6.518A pdb=" N THRCb 47 " --> pdb=" O ARGCb 38 " (cutoff:3.500A) removed outlier: 4.628A pdb=" N PHECb 40 " --> pdb=" O TYRCb 45 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N TYRCb 45 " --> pdb=" O PHECb 40 " (cutoff:3.500A) removed outlier: 6.833A pdb=" N LEUCb 9 " --> pdb=" O ILECb 80 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N ILECb 80 " --> pdb=" O LEUCb 9 " (cutoff:3.500A) removed outlier: 6.764A pdb=" N METCb 11 " --> pdb=" O ALACb 78 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N ALACb 78 " --> pdb=" O METCb 11 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N GLUCb 13 " --> pdb=" O VALCb 76 " (cutoff:3.500A) Processing sheet with id=AL9, first strand: chain 'Db' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUDb 35 " --> pdb=" O ARGDb 51 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ARGDb 51 " --> pdb=" O LEUDb 35 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N GLYDb 37 " --> pdb=" O LEUDb 49 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N TYRDb 45 " --> pdb=" O VALDb 41 " (cutoff:3.500A) removed outlier: 6.814A pdb=" N LEUDb 9 " --> pdb=" O ILEDb 80 " (cutoff:3.500A) removed outlier: 4.478A pdb=" N ILEDb 80 " --> pdb=" O LEUDb 9 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N METDb 11 " --> pdb=" O ALADb 78 " (cutoff:3.500A) removed outlier: 4.312A pdb=" N ALADb 78 " --> pdb=" O METDb 11 " (cutoff:3.500A) removed outlier: 6.588A pdb=" N GLUDb 13 " --> pdb=" O VALDb 76 " (cutoff:3.500A) Processing sheet with id=AM1, first strand: chain 'Ac' and resid 2 through 9 removed outlier: 6.780A pdb=" N VALAc 26 " --> pdb=" O GLUAc 7 " (cutoff:3.500A) removed outlier: 4.920A pdb=" N THRAc 9 " --> pdb=" O LEUAc 24 " (cutoff:3.500A) removed outlier: 7.633A pdb=" N LEUAc 24 " --> pdb=" O THRAc 9 " (cutoff:3.500A) removed outlier: 7.867A pdb=" N ILEAc 73 " --> pdb=" O VALAc 37 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N VALAc 39 " --> pdb=" O ILEAc 73 " (cutoff:3.500A) removed outlier: 8.305A pdb=" N GLYAc 75 " --> pdb=" O VALAc 39 " (cutoff:3.500A) removed outlier: 6.514A pdb=" N LEUAc 51 " --> pdb=" O ILEAc 74 " (cutoff:3.500A) removed outlier: 4.976A pdb=" N ILEAc 76 " --> pdb=" O TRPAc 49 " (cutoff:3.500A) removed outlier: 7.571A pdb=" N TRPAc 49 " --> pdb=" O ILEAc 76 " (cutoff:3.500A) Processing sheet with id=AM2, first strand: chain 'Bc' and resid 34 through 42 removed outlier: 5.586A pdb=" N LEUBc 35 " --> pdb=" O ARGBc 51 " (cutoff:3.500A) removed outlier: 6.622A pdb=" N ARGBc 51 " --> pdb=" O LEUBc 35 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N GLYBc 37 " --> pdb=" O LEUBc 49 " (cutoff:3.500A) removed outlier: 6.606A pdb=" N TYRBc 45 " --> pdb=" O VALBc 41 " (cutoff:3.500A) removed outlier: 6.917A pdb=" N LEUBc 9 " --> pdb=" O ILEBc 80 " (cutoff:3.500A) removed outlier: 4.576A pdb=" N ILEBc 80 " --> pdb=" O LEUBc 9 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N METBc 11 " --> pdb=" O ALABc 78 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N ALABc 78 " --> pdb=" O METBc 11 " (cutoff:3.500A) removed outlier: 6.488A pdb=" N GLUBc 13 " --> pdb=" O VALBc 76 " (cutoff:3.500A) Processing sheet with id=AM3, first strand: chain 'Cc' and resid 34 through 42 removed outlier: 6.784A pdb=" N LEUCc 49 " --> pdb=" O VALCc 36 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N ARGCc 38 " --> pdb=" O THRCc 47 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N THRCc 47 " --> pdb=" O ARGCc 38 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHECc 40 " --> pdb=" O TYRCc 45 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N TYRCc 45 " --> pdb=" O PHECc 40 " (cutoff:3.500A) removed outlier: 6.805A pdb=" N LEUCc 9 " --> pdb=" O ILECc 80 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N ILECc 80 " --> pdb=" O LEUCc 9 " (cutoff:3.500A) removed outlier: 6.730A pdb=" N METCc 11 " --> pdb=" O ALACc 78 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ALACc 78 " --> pdb=" O METCc 11 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N GLUCc 13 " --> pdb=" O VALCc 76 " (cutoff:3.500A) Processing sheet with id=AM4, first strand: chain 'Dc' and resid 34 through 40 removed outlier: 6.725A pdb=" N LEUDc 49 " --> pdb=" O VALDc 36 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N ARGDc 38 " --> pdb=" O THRDc 47 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N THRDc 47 " --> pdb=" O ARGDc 38 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N PHEDc 40 " --> pdb=" O TYRDc 45 " (cutoff:3.500A) removed outlier: 7.041A pdb=" N TYRDc 45 " --> pdb=" O PHEDc 40 " (cutoff:3.500A) removed outlier: 6.803A pdb=" N LEUDc 9 " --> pdb=" O ILEDc 80 " (cutoff:3.500A) removed outlier: 4.463A pdb=" N ILEDc 80 " --> pdb=" O LEUDc 9 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N METDc 11 " --> pdb=" O ALADc 78 " (cutoff:3.500A) removed outlier: 4.317A pdb=" N ALADc 78 " --> pdb=" O METDc 11 " (cutoff:3.500A) removed outlier: 6.546A pdb=" N GLUDc 13 " --> pdb=" O VALDc 76 " (cutoff:3.500A) Processing sheet with id=AM5, first strand: chain 'Ad' and resid 2 through 9 removed outlier: 6.823A pdb=" N VALAd 26 " --> pdb=" O GLUAd 7 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N THRAd 9 " --> pdb=" O LEUAd 24 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N LEUAd 24 " --> pdb=" O THRAd 9 " (cutoff:3.500A) removed outlier: 7.884A pdb=" N ILEAd 73 " --> pdb=" O VALAd 37 " (cutoff:3.500A) removed outlier: 7.040A pdb=" N VALAd 39 " --> pdb=" O ILEAd 73 " (cutoff:3.500A) removed outlier: 8.296A pdb=" N GLYAd 75 " --> pdb=" O VALAd 39 " (cutoff:3.500A) removed outlier: 6.563A pdb=" N LEUAd 51 " --> pdb=" O ILEAd 74 " (cutoff:3.500A) removed outlier: 4.948A pdb=" N ILEAd 76 " --> pdb=" O TRPAd 49 " (cutoff:3.500A) removed outlier: 7.582A pdb=" N TRPAd 49 " --> pdb=" O ILEAd 76 " (cutoff:3.500A) Processing sheet with id=AM6, first strand: chain 'Bd' and resid 34 through 42 removed outlier: 5.622A pdb=" N LEUBd 35 " --> pdb=" O ARGBd 51 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N ARGBd 51 " --> pdb=" O LEUBd 35 " (cutoff:3.500A) removed outlier: 6.616A pdb=" N TYRBd 45 " --> pdb=" O VALBd 41 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N LEUBd 9 " --> pdb=" O ILEBd 80 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N ILEBd 80 " --> pdb=" O LEUBd 9 " (cutoff:3.500A) removed outlier: 6.777A pdb=" N METBd 11 " --> pdb=" O ALABd 78 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N ALABd 78 " --> pdb=" O METBd 11 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N GLUBd 13 " --> pdb=" O VALBd 76 " (cutoff:3.500A) Processing sheet with id=AM7, first strand: chain 'Cd' and resid 34 through 42 removed outlier: 6.759A pdb=" N LEUCd 49 " --> pdb=" O VALCd 36 " (cutoff:3.500A) removed outlier: 4.256A pdb=" N ARGCd 38 " --> pdb=" O THRCd 47 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N THRCd 47 " --> pdb=" O ARGCd 38 " (cutoff:3.500A) removed outlier: 4.593A pdb=" N PHECd 40 " --> pdb=" O TYRCd 45 " (cutoff:3.500A) removed outlier: 6.944A pdb=" N TYRCd 45 " --> pdb=" O PHECd 40 " (cutoff:3.500A) removed outlier: 6.787A pdb=" N LEUCd 9 " --> pdb=" O ILECd 80 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N ILECd 80 " --> pdb=" O LEUCd 9 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N METCd 11 " --> pdb=" O ALACd 78 " (cutoff:3.500A) removed outlier: 4.324A pdb=" N ALACd 78 " --> pdb=" O METCd 11 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N GLUCd 13 " --> pdb=" O VALCd 76 " (cutoff:3.500A) Processing sheet with id=AM8, first strand: chain 'Dd' and resid 34 through 42 removed outlier: 5.655A pdb=" N LEUDd 35 " --> pdb=" O ARGDd 51 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N ARGDd 51 " --> pdb=" O LEUDd 35 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N GLYDd 37 " --> pdb=" O LEUDd 49 " (cutoff:3.500A) removed outlier: 6.558A pdb=" N TYRDd 45 " --> pdb=" O VALDd 41 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUDd 9 " --> pdb=" O ILEDd 80 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N ILEDd 80 " --> pdb=" O LEUDd 9 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N METDd 11 " --> pdb=" O ALADd 78 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N ALADd 78 " --> pdb=" O METDd 11 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N GLUDd 13 " --> pdb=" O VALDd 76 " (cutoff:3.500A) Processing sheet with id=AM9, first strand: chain 'Ae' and resid 2 through 9 removed outlier: 6.808A pdb=" N VALAe 26 " --> pdb=" O GLUAe 7 " (cutoff:3.500A) removed outlier: 4.950A pdb=" N THRAe 9 " --> pdb=" O LEUAe 24 " (cutoff:3.500A) removed outlier: 7.658A pdb=" N LEUAe 24 " --> pdb=" O THRAe 9 " (cutoff:3.500A) removed outlier: 7.877A pdb=" N ILEAe 73 " --> pdb=" O VALAe 37 " (cutoff:3.500A) removed outlier: 7.028A pdb=" N VALAe 39 " --> pdb=" O ILEAe 73 " (cutoff:3.500A) removed outlier: 8.311A pdb=" N GLYAe 75 " --> pdb=" O VALAe 39 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N LEUAe 51 " --> pdb=" O ILEAe 74 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N ILEAe 76 " --> pdb=" O TRPAe 49 " (cutoff:3.500A) removed outlier: 7.542A pdb=" N TRPAe 49 " --> pdb=" O ILEAe 76 " (cutoff:3.500A) Processing sheet with id=AN1, first strand: chain 'Be' and resid 34 through 42 removed outlier: 5.591A pdb=" N LEUBe 35 " --> pdb=" O ARGBe 51 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N ARGBe 51 " --> pdb=" O LEUBe 35 " (cutoff:3.500A) removed outlier: 6.587A pdb=" N TYRBe 45 " --> pdb=" O VALBe 41 " (cutoff:3.500A) removed outlier: 6.922A pdb=" N LEUBe 9 " --> pdb=" O ILEBe 80 " (cutoff:3.500A) removed outlier: 4.590A pdb=" N ILEBe 80 " --> pdb=" O LEUBe 9 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N METBe 11 " --> pdb=" O ALABe 78 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N ALABe 78 " --> pdb=" O METBe 11 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLUBe 13 " --> pdb=" O VALBe 76 " (cutoff:3.500A) Processing sheet with id=AN2, first strand: chain 'Ce' and resid 34 through 42 removed outlier: 6.734A pdb=" N LEUCe 49 " --> pdb=" O VALCe 36 " (cutoff:3.500A) removed outlier: 4.206A pdb=" N ARGCe 38 " --> pdb=" O THRCe 47 " (cutoff:3.500A) removed outlier: 6.480A pdb=" N THRCe 47 " --> pdb=" O ARGCe 38 " (cutoff:3.500A) removed outlier: 4.554A pdb=" N PHECe 40 " --> pdb=" O TYRCe 45 " (cutoff:3.500A) removed outlier: 6.927A pdb=" N TYRCe 45 " --> pdb=" O PHECe 40 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N LEUCe 9 " --> pdb=" O ILECe 80 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILECe 80 " --> pdb=" O LEUCe 9 " (cutoff:3.500A) removed outlier: 6.763A pdb=" N METCe 11 " --> pdb=" O ALACe 78 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N ALACe 78 " --> pdb=" O METCe 11 " (cutoff:3.500A) removed outlier: 6.463A pdb=" N GLUCe 13 " --> pdb=" O VALCe 76 " (cutoff:3.500A) Processing sheet with id=AN3, first strand: chain 'De' and resid 34 through 42 removed outlier: 5.599A pdb=" N LEUDe 35 " --> pdb=" O ARGDe 51 " (cutoff:3.500A) removed outlier: 6.757A pdb=" N ARGDe 51 " --> pdb=" O LEUDe 35 " (cutoff:3.500A) removed outlier: 6.564A pdb=" N TYRDe 45 " --> pdb=" O VALDe 41 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N LEUDe 9 " --> pdb=" O ILEDe 80 " (cutoff:3.500A) removed outlier: 4.511A pdb=" N ILEDe 80 " --> pdb=" O LEUDe 9 " (cutoff:3.500A) removed outlier: 6.700A pdb=" N METDe 11 " --> pdb=" O ALADe 78 " (cutoff:3.500A) removed outlier: 4.312A pdb=" N ALADe 78 " --> pdb=" O METDe 11 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N GLUDe 13 " --> pdb=" O VALDe 76 " (cutoff:3.500A) Processing sheet with id=AN4, first strand: chain 'Af' and resid 2 through 9 removed outlier: 6.771A pdb=" N VALAf 26 " --> pdb=" O GLUAf 7 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N THRAf 9 " --> pdb=" O LEUAf 24 " (cutoff:3.500A) removed outlier: 7.612A pdb=" N LEUAf 24 " --> pdb=" O THRAf 9 " (cutoff:3.500A) removed outlier: 7.894A pdb=" N ILEAf 73 " --> pdb=" O VALAf 37 " (cutoff:3.500A) removed outlier: 7.100A pdb=" N VALAf 39 " --> pdb=" O ILEAf 73 " (cutoff:3.500A) removed outlier: 8.323A pdb=" N GLYAf 75 " --> pdb=" O VALAf 39 " (cutoff:3.500A) removed outlier: 6.516A pdb=" N LEUAf 51 " --> pdb=" O ILEAf 74 " (cutoff:3.500A) removed outlier: 4.935A pdb=" N ILEAf 76 " --> pdb=" O TRPAf 49 " (cutoff:3.500A) removed outlier: 7.595A pdb=" N TRPAf 49 " --> pdb=" O ILEAf 76 " (cutoff:3.500A) Processing sheet with id=AN5, first strand: chain 'Bf' and resid 34 through 42 removed outlier: 5.597A pdb=" N LEUBf 35 " --> pdb=" O ARGBf 51 " (cutoff:3.500A) removed outlier: 6.622A pdb=" N ARGBf 51 " --> pdb=" O LEUBf 35 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N TYRBf 45 " --> pdb=" O VALBf 41 " (cutoff:3.500A) removed outlier: 6.921A pdb=" N LEUBf 9 " --> pdb=" O ILEBf 80 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N ILEBf 80 " --> pdb=" O LEUBf 9 " (cutoff:3.500A) removed outlier: 6.759A pdb=" N METBf 11 " --> pdb=" O ALABf 78 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N ALABf 78 " --> pdb=" O METBf 11 " (cutoff:3.500A) removed outlier: 6.559A pdb=" N GLUBf 13 " --> pdb=" O VALBf 76 " (cutoff:3.500A) Processing sheet with id=AN6, first strand: chain 'Cf' and resid 34 through 40 removed outlier: 6.714A pdb=" N LEUCf 49 " --> pdb=" O VALCf 36 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N ARGCf 38 " --> pdb=" O THRCf 47 " (cutoff:3.500A) removed outlier: 6.552A pdb=" N THRCf 47 " --> pdb=" O ARGCf 38 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N PHECf 40 " --> pdb=" O TYRCf 45 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N TYRCf 45 " --> pdb=" O PHECf 40 " (cutoff:3.500A) removed outlier: 6.833A pdb=" N LEUCf 9 " --> pdb=" O ILECf 80 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N ILECf 80 " --> pdb=" O LEUCf 9 " (cutoff:3.500A) removed outlier: 6.763A pdb=" N METCf 11 " --> pdb=" O ALACf 78 " (cutoff:3.500A) removed outlier: 4.322A pdb=" N ALACf 78 " --> pdb=" O METCf 11 " (cutoff:3.500A) removed outlier: 6.435A pdb=" N GLUCf 13 " --> pdb=" O VALCf 76 " (cutoff:3.500A) Processing sheet with id=AN7, first strand: chain 'Df' and resid 34 through 42 removed outlier: 5.620A pdb=" N LEUDf 35 " --> pdb=" O ARGDf 51 " (cutoff:3.500A) removed outlier: 6.709A pdb=" N ARGDf 51 " --> pdb=" O LEUDf 35 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLYDf 37 " --> pdb=" O LEUDf 49 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N TYRDf 45 " --> pdb=" O VALDf 41 " (cutoff:3.500A) removed outlier: 6.253A pdb=" N ARGDf 15 " --> pdb=" O LEUDf 75 " (cutoff:3.500A) removed outlier: 6.613A pdb=" N LEUDf 75 " --> pdb=" O ARGDf 15 " (cutoff:3.500A) Processing sheet with id=AN8, first strand: chain 'Ag' and resid 2 through 9 removed outlier: 6.773A pdb=" N VALAg 26 " --> pdb=" O GLUAg 7 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N THRAg 9 " --> pdb=" O LEUAg 24 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N LEUAg 24 " --> pdb=" O THRAg 9 " (cutoff:3.500A) removed outlier: 7.866A pdb=" N ILEAg 73 " --> pdb=" O VALAg 37 " (cutoff:3.500A) removed outlier: 7.043A pdb=" N VALAg 39 " --> pdb=" O ILEAg 73 " (cutoff:3.500A) removed outlier: 8.297A pdb=" N GLYAg 75 " --> pdb=" O VALAg 39 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEUAg 51 " --> pdb=" O ILEAg 74 " (cutoff:3.500A) removed outlier: 4.961A pdb=" N ILEAg 76 " --> pdb=" O TRPAg 49 " (cutoff:3.500A) removed outlier: 7.559A pdb=" N TRPAg 49 " --> pdb=" O ILEAg 76 " (cutoff:3.500A) Processing sheet with id=AN9, first strand: chain 'Bg' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUBg 35 " --> pdb=" O ARGBg 51 " (cutoff:3.500A) removed outlier: 6.603A pdb=" N ARGBg 51 " --> pdb=" O LEUBg 35 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N GLYBg 37 " --> pdb=" O LEUBg 49 " (cutoff:3.500A) removed outlier: 6.594A pdb=" N TYRBg 45 " --> pdb=" O VALBg 41 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N LEUBg 9 " --> pdb=" O ILEBg 80 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N ILEBg 80 " --> pdb=" O LEUBg 9 " (cutoff:3.500A) removed outlier: 6.790A pdb=" N METBg 11 " --> pdb=" O ALABg 78 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N ALABg 78 " --> pdb=" O METBg 11 " (cutoff:3.500A) removed outlier: 6.576A pdb=" N GLUBg 13 " --> pdb=" O VALBg 76 " (cutoff:3.500A) Processing sheet with id=AO1, first strand: chain 'Cg' and resid 34 through 42 removed outlier: 6.733A pdb=" N LEUCg 49 " --> pdb=" O VALCg 36 " (cutoff:3.500A) removed outlier: 4.262A pdb=" N ARGCg 38 " --> pdb=" O THRCg 47 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N THRCg 47 " --> pdb=" O ARGCg 38 " (cutoff:3.500A) removed outlier: 4.631A pdb=" N PHECg 40 " --> pdb=" O TYRCg 45 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N TYRCg 45 " --> pdb=" O PHECg 40 " (cutoff:3.500A) removed outlier: 6.831A pdb=" N LEUCg 9 " --> pdb=" O ILECg 80 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ILECg 80 " --> pdb=" O LEUCg 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METCg 11 " --> pdb=" O ALACg 78 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N ALACg 78 " --> pdb=" O METCg 11 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N GLUCg 13 " --> pdb=" O VALCg 76 " (cutoff:3.500A) Processing sheet with id=AO2, first strand: chain 'Dg' and resid 34 through 42 removed outlier: 5.627A pdb=" N LEUDg 35 " --> pdb=" O ARGDg 51 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N ARGDg 51 " --> pdb=" O LEUDg 35 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLYDg 37 " --> pdb=" O LEUDg 49 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N TYRDg 45 " --> pdb=" O VALDg 41 " (cutoff:3.500A) removed outlier: 6.818A pdb=" N LEUDg 9 " --> pdb=" O ILEDg 80 " (cutoff:3.500A) removed outlier: 4.481A pdb=" N ILEDg 80 " --> pdb=" O LEUDg 9 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N METDg 11 " --> pdb=" O ALADg 78 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N ALADg 78 " --> pdb=" O METDg 11 " (cutoff:3.500A) removed outlier: 6.595A pdb=" N GLUDg 13 " --> pdb=" O VALDg 76 " (cutoff:3.500A) Processing sheet with id=AO3, first strand: chain 'Ah' and resid 2 through 9 removed outlier: 6.770A pdb=" N VALAh 26 " --> pdb=" O GLUAh 7 " (cutoff:3.500A) removed outlier: 4.935A pdb=" N THRAh 9 " --> pdb=" O LEUAh 24 " (cutoff:3.500A) removed outlier: 7.692A pdb=" N LEUAh 24 " --> pdb=" O THRAh 9 " (cutoff:3.500A) removed outlier: 7.872A pdb=" N ILEAh 73 " --> pdb=" O VALAh 37 " (cutoff:3.500A) removed outlier: 7.074A pdb=" N VALAh 39 " --> pdb=" O ILEAh 73 " (cutoff:3.500A) removed outlier: 8.305A pdb=" N GLYAh 75 " --> pdb=" O VALAh 39 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N LEUAh 51 " --> pdb=" O ILEAh 74 " (cutoff:3.500A) removed outlier: 4.942A pdb=" N ILEAh 76 " --> pdb=" O TRPAh 49 " (cutoff:3.500A) removed outlier: 7.548A pdb=" N TRPAh 49 " --> pdb=" O ILEAh 76 " (cutoff:3.500A) Processing sheet with id=AO4, first strand: chain 'Bh' and resid 34 through 42 removed outlier: 5.615A pdb=" N LEUBh 35 " --> pdb=" O ARGBh 51 " (cutoff:3.500A) removed outlier: 6.602A pdb=" N ARGBh 51 " --> pdb=" O LEUBh 35 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLYBh 37 " --> pdb=" O LEUBh 49 " (cutoff:3.500A) removed outlier: 6.606A pdb=" N TYRBh 45 " --> pdb=" O VALBh 41 " (cutoff:3.500A) removed outlier: 6.919A pdb=" N LEUBh 9 " --> pdb=" O ILEBh 80 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N ILEBh 80 " --> pdb=" O LEUBh 9 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N METBh 11 " --> pdb=" O ALABh 78 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N ALABh 78 " --> pdb=" O METBh 11 " (cutoff:3.500A) removed outlier: 6.493A pdb=" N GLUBh 13 " --> pdb=" O VALBh 76 " (cutoff:3.500A) Processing sheet with id=AO5, first strand: chain 'Ch' and resid 34 through 42 removed outlier: 6.785A pdb=" N LEUCh 49 " --> pdb=" O VALCh 36 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N ARGCh 38 " --> pdb=" O THRCh 47 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N THRCh 47 " --> pdb=" O ARGCh 38 " (cutoff:3.500A) removed outlier: 4.627A pdb=" N PHECh 40 " --> pdb=" O TYRCh 45 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N TYRCh 45 " --> pdb=" O PHECh 40 " (cutoff:3.500A) removed outlier: 6.805A pdb=" N LEUCh 9 " --> pdb=" O ILECh 80 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N ILECh 80 " --> pdb=" O LEUCh 9 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N METCh 11 " --> pdb=" O ALACh 78 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N ALACh 78 " --> pdb=" O METCh 11 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N GLUCh 13 " --> pdb=" O VALCh 76 " (cutoff:3.500A) Processing sheet with id=AO6, first strand: chain 'Dh' and resid 34 through 42 removed outlier: 6.699A pdb=" N LEUDh 49 " --> pdb=" O VALDh 36 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N ARGDh 38 " --> pdb=" O THRDh 47 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N THRDh 47 " --> pdb=" O ARGDh 38 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N PHEDh 40 " --> pdb=" O TYRDh 45 " (cutoff:3.500A) removed outlier: 7.047A pdb=" N TYRDh 45 " --> pdb=" O PHEDh 40 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N LEUDh 9 " --> pdb=" O ILEDh 80 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N ILEDh 80 " --> pdb=" O LEUDh 9 " (cutoff:3.500A) removed outlier: 6.676A pdb=" N METDh 11 " --> pdb=" O ALADh 78 " (cutoff:3.500A) removed outlier: 4.316A pdb=" N ALADh 78 " --> pdb=" O METDh 11 " (cutoff:3.500A) removed outlier: 6.548A pdb=" N GLUDh 13 " --> pdb=" O VALDh 76 " (cutoff:3.500A) Processing sheet with id=AO7, first strand: chain 'Ai' and resid 2 through 9 removed outlier: 6.784A pdb=" N VALAi 26 " --> pdb=" O GLUAi 7 " (cutoff:3.500A) removed outlier: 4.881A pdb=" N THRAi 9 " --> pdb=" O LEUAi 24 " (cutoff:3.500A) removed outlier: 7.606A pdb=" N LEUAi 24 " --> pdb=" O THRAi 9 " (cutoff:3.500A) removed outlier: 7.886A pdb=" N ILEAi 73 " --> pdb=" O VALAi 37 " (cutoff:3.500A) removed outlier: 7.051A pdb=" N VALAi 39 " --> pdb=" O ILEAi 73 " (cutoff:3.500A) removed outlier: 8.303A pdb=" N GLYAi 75 " --> pdb=" O VALAi 39 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEUAi 51 " --> pdb=" O ILEAi 74 " (cutoff:3.500A) removed outlier: 4.950A pdb=" N ILEAi 76 " --> pdb=" O TRPAi 49 " (cutoff:3.500A) removed outlier: 7.565A pdb=" N TRPAi 49 " --> pdb=" O ILEAi 76 " (cutoff:3.500A) Processing sheet with id=AO8, first strand: chain 'Bi' and resid 34 through 40 removed outlier: 5.613A pdb=" N LEUBi 35 " --> pdb=" O ARGBi 51 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N ARGBi 51 " --> pdb=" O LEUBi 35 " (cutoff:3.500A) removed outlier: 6.932A pdb=" N LEUBi 9 " --> pdb=" O ILEBi 80 " (cutoff:3.500A) removed outlier: 4.630A pdb=" N ILEBi 80 " --> pdb=" O LEUBi 9 " (cutoff:3.500A) removed outlier: 6.761A pdb=" N METBi 11 " --> pdb=" O ALABi 78 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N ALABi 78 " --> pdb=" O METBi 11 " (cutoff:3.500A) removed outlier: 6.492A pdb=" N GLUBi 13 " --> pdb=" O VALBi 76 " (cutoff:3.500A) Processing sheet with id=AO9, first strand: chain 'Ci' and resid 34 through 42 removed outlier: 6.757A pdb=" N LEUCi 49 " --> pdb=" O VALCi 36 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ARGCi 38 " --> pdb=" O THRCi 47 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N THRCi 47 " --> pdb=" O ARGCi 38 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N PHECi 40 " --> pdb=" O TYRCi 45 " (cutoff:3.500A) removed outlier: 6.946A pdb=" N TYRCi 45 " --> pdb=" O PHECi 40 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUCi 9 " --> pdb=" O ILECi 80 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N ILECi 80 " --> pdb=" O LEUCi 9 " (cutoff:3.500A) removed outlier: 6.731A pdb=" N METCi 11 " --> pdb=" O ALACi 78 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALACi 78 " --> pdb=" O METCi 11 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N GLUCi 13 " --> pdb=" O VALCi 76 " (cutoff:3.500A) Processing sheet with id=AP1, first strand: chain 'Di' and resid 34 through 42 removed outlier: 5.651A pdb=" N LEUDi 35 " --> pdb=" O ARGDi 51 " (cutoff:3.500A) removed outlier: 6.740A pdb=" N ARGDi 51 " --> pdb=" O LEUDi 35 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLYDi 37 " --> pdb=" O LEUDi 49 " (cutoff:3.500A) removed outlier: 6.552A pdb=" N TYRDi 45 " --> pdb=" O VALDi 41 " (cutoff:3.500A) removed outlier: 6.785A pdb=" N LEUDi 9 " --> pdb=" O ILEDi 80 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N ILEDi 80 " --> pdb=" O LEUDi 9 " (cutoff:3.500A) removed outlier: 6.634A pdb=" N METDi 11 " --> pdb=" O ALADi 78 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N ALADi 78 " --> pdb=" O METDi 11 " (cutoff:3.500A) removed outlier: 6.545A pdb=" N GLUDi 13 " --> pdb=" O VALDi 76 " (cutoff:3.500A) Processing sheet with id=AP2, first strand: chain 'Aj' and resid 2 through 9 removed outlier: 6.806A pdb=" N VALAj 26 " --> pdb=" O GLUAj 7 " (cutoff:3.500A) removed outlier: 4.955A pdb=" N THRAj 9 " --> pdb=" O LEUAj 24 " (cutoff:3.500A) removed outlier: 7.663A pdb=" N LEUAj 24 " --> pdb=" O THRAj 9 " (cutoff:3.500A) removed outlier: 7.879A pdb=" N ILEAj 73 " --> pdb=" O VALAj 37 " (cutoff:3.500A) removed outlier: 7.036A pdb=" N VALAj 39 " --> pdb=" O ILEAj 73 " (cutoff:3.500A) removed outlier: 8.311A pdb=" N GLYAj 75 " --> pdb=" O VALAj 39 " (cutoff:3.500A) removed outlier: 6.468A pdb=" N LEUAj 51 " --> pdb=" O ILEAj 74 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N ILEAj 76 " --> pdb=" O TRPAj 49 " (cutoff:3.500A) removed outlier: 7.545A pdb=" N TRPAj 49 " --> pdb=" O ILEAj 76 " (cutoff:3.500A) Processing sheet with id=AP3, first strand: chain 'Bj' and resid 34 through 42 removed outlier: 5.580A pdb=" N LEUBj 35 " --> pdb=" O ARGBj 51 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N ARGBj 51 " --> pdb=" O LEUBj 35 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N TYRBj 45 " --> pdb=" O VALBj 41 " (cutoff:3.500A) removed outlier: 6.924A pdb=" N LEUBj 9 " --> pdb=" O ILEBj 80 " (cutoff:3.500A) removed outlier: 4.595A pdb=" N ILEBj 80 " --> pdb=" O LEUBj 9 " (cutoff:3.500A) removed outlier: 6.802A pdb=" N METBj 11 " --> pdb=" O ALABj 78 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N ALABj 78 " --> pdb=" O METBj 11 " (cutoff:3.500A) removed outlier: 6.545A pdb=" N GLUBj 13 " --> pdb=" O VALBj 76 " (cutoff:3.500A) Processing sheet with id=AP4, first strand: chain 'Cj' and resid 34 through 42 removed outlier: 6.748A pdb=" N LEUCj 49 " --> pdb=" O VALCj 36 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N ARGCj 38 " --> pdb=" O THRCj 47 " (cutoff:3.500A) removed outlier: 6.490A pdb=" N THRCj 47 " --> pdb=" O ARGCj 38 " (cutoff:3.500A) removed outlier: 4.558A pdb=" N PHECj 40 " --> pdb=" O TYRCj 45 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N TYRCj 45 " --> pdb=" O PHECj 40 " (cutoff:3.500A) removed outlier: 6.808A pdb=" N LEUCj 9 " --> pdb=" O ILECj 80 " (cutoff:3.500A) removed outlier: 4.482A pdb=" N ILECj 80 " --> pdb=" O LEUCj 9 " (cutoff:3.500A) removed outlier: 6.765A pdb=" N METCj 11 " --> pdb=" O ALACj 78 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N ALACj 78 " --> pdb=" O METCj 11 " (cutoff:3.500A) removed outlier: 6.459A pdb=" N GLUCj 13 " --> pdb=" O VALCj 76 " (cutoff:3.500A) Processing sheet with id=AP5, first strand: chain 'Dj' and resid 34 through 42 removed outlier: 5.599A pdb=" N LEUDj 35 " --> pdb=" O ARGDj 51 " (cutoff:3.500A) removed outlier: 6.757A pdb=" N ARGDj 51 " --> pdb=" O LEUDj 35 " (cutoff:3.500A) removed outlier: 6.564A pdb=" N TYRDj 45 " --> pdb=" O VALDj 41 " (cutoff:3.500A) removed outlier: 6.822A pdb=" N LEUDj 9 " --> pdb=" O ILEDj 80 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N ILEDj 80 " --> pdb=" O LEUDj 9 " (cutoff:3.500A) removed outlier: 6.702A pdb=" N METDj 11 " --> pdb=" O ALADj 78 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ALADj 78 " --> pdb=" O METDj 11 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N GLUDj 13 " --> pdb=" O VALDj 76 " (cutoff:3.500A) Processing sheet with id=AP6, first strand: chain 'Ak' and resid 2 through 9 removed outlier: 6.781A pdb=" N VALAk 26 " --> pdb=" O GLUAk 7 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N THRAk 9 " --> pdb=" O LEUAk 24 " (cutoff:3.500A) removed outlier: 7.613A pdb=" N LEUAk 24 " --> pdb=" O THRAk 9 " (cutoff:3.500A) removed outlier: 7.904A pdb=" N ILEAk 73 " --> pdb=" O VALAk 37 " (cutoff:3.500A) removed outlier: 7.103A pdb=" N VALAk 39 " --> pdb=" O ILEAk 73 " (cutoff:3.500A) removed outlier: 8.327A pdb=" N GLYAk 75 " --> pdb=" O VALAk 39 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N LEUAk 51 " --> pdb=" O ILEAk 74 " (cutoff:3.500A) removed outlier: 4.956A pdb=" N ILEAk 76 " --> pdb=" O TRPAk 49 " (cutoff:3.500A) removed outlier: 7.626A pdb=" N TRPAk 49 " --> pdb=" O ILEAk 76 " (cutoff:3.500A) Processing sheet with id=AP7, first strand: chain 'Bk' and resid 34 through 42 removed outlier: 5.596A pdb=" N LEUBk 35 " --> pdb=" O ARGBk 51 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ARGBk 51 " --> pdb=" O LEUBk 35 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N TYRBk 45 " --> pdb=" O VALBk 41 " (cutoff:3.500A) removed outlier: 6.920A pdb=" N LEUBk 9 " --> pdb=" O ILEBk 80 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N ILEBk 80 " --> pdb=" O LEUBk 9 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N METBk 11 " --> pdb=" O ALABk 78 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N ALABk 78 " --> pdb=" O METBk 11 " (cutoff:3.500A) removed outlier: 6.531A pdb=" N GLUBk 13 " --> pdb=" O VALBk 76 " (cutoff:3.500A) Processing sheet with id=AP8, first strand: chain 'Ck' and resid 34 through 40 removed outlier: 6.713A pdb=" N LEUCk 49 " --> pdb=" O VALCk 36 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N ARGCk 38 " --> pdb=" O THRCk 47 " (cutoff:3.500A) removed outlier: 6.552A pdb=" N THRCk 47 " --> pdb=" O ARGCk 38 " (cutoff:3.500A) removed outlier: 4.564A pdb=" N PHECk 40 " --> pdb=" O TYRCk 45 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N TYRCk 45 " --> pdb=" O PHECk 40 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N LEUCk 9 " --> pdb=" O ILECk 80 " (cutoff:3.500A) removed outlier: 4.526A pdb=" N ILECk 80 " --> pdb=" O LEUCk 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METCk 11 " --> pdb=" O ALACk 78 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N ALACk 78 " --> pdb=" O METCk 11 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N GLUCk 13 " --> pdb=" O VALCk 76 " (cutoff:3.500A) Processing sheet with id=AP9, first strand: chain 'Dk' and resid 34 through 42 removed outlier: 5.622A pdb=" N LEUDk 35 " --> pdb=" O ARGDk 51 " (cutoff:3.500A) removed outlier: 6.710A pdb=" N ARGDk 51 " --> pdb=" O LEUDk 35 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLYDk 37 " --> pdb=" O LEUDk 49 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N TYRDk 45 " --> pdb=" O VALDk 41 " (cutoff:3.500A) removed outlier: 6.199A pdb=" N ARGDk 15 " --> pdb=" O LEUDk 75 " (cutoff:3.500A) removed outlier: 6.625A pdb=" N LEUDk 75 " --> pdb=" O ARGDk 15 " (cutoff:3.500A) Processing sheet with id=AQ1, first strand: chain 'Al' and resid 2 through 9 removed outlier: 6.767A pdb=" N VALAl 26 " --> pdb=" O GLUAl 7 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N THRAl 9 " --> pdb=" O LEUAl 24 " (cutoff:3.500A) removed outlier: 7.595A pdb=" N LEUAl 24 " --> pdb=" O THRAl 9 " (cutoff:3.500A) removed outlier: 7.842A pdb=" N ILEAl 73 " --> pdb=" O VALAl 37 " (cutoff:3.500A) removed outlier: 7.018A pdb=" N VALAl 39 " --> pdb=" O ILEAl 73 " (cutoff:3.500A) removed outlier: 8.285A pdb=" N GLYAl 75 " --> pdb=" O VALAl 39 " (cutoff:3.500A) removed outlier: 6.581A pdb=" N LEUAl 51 " --> pdb=" O ILEAl 74 " (cutoff:3.500A) removed outlier: 4.976A pdb=" N ILEAl 76 " --> pdb=" O TRPAl 49 " (cutoff:3.500A) removed outlier: 7.575A pdb=" N TRPAl 49 " --> pdb=" O ILEAl 76 " (cutoff:3.500A) Processing sheet with id=AQ2, first strand: chain 'Bl' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUBl 35 " --> pdb=" O ARGBl 51 " (cutoff:3.500A) removed outlier: 6.613A pdb=" N ARGBl 51 " --> pdb=" O LEUBl 35 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLYBl 37 " --> pdb=" O LEUBl 49 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N TYRBl 45 " --> pdb=" O VALBl 41 " (cutoff:3.500A) removed outlier: 6.976A pdb=" N LEUBl 9 " --> pdb=" O ILEBl 80 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N ILEBl 80 " --> pdb=" O LEUBl 9 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N METBl 11 " --> pdb=" O ALABl 78 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N ALABl 78 " --> pdb=" O METBl 11 " (cutoff:3.500A) removed outlier: 6.577A pdb=" N GLUBl 13 " --> pdb=" O VALBl 76 " (cutoff:3.500A) Processing sheet with id=AQ3, first strand: chain 'Cl' and resid 34 through 42 removed outlier: 6.734A pdb=" N LEUCl 49 " --> pdb=" O VALCl 36 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N ARGCl 38 " --> pdb=" O THRCl 47 " (cutoff:3.500A) removed outlier: 6.517A pdb=" N THRCl 47 " --> pdb=" O ARGCl 38 " (cutoff:3.500A) removed outlier: 4.629A pdb=" N PHECl 40 " --> pdb=" O TYRCl 45 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N TYRCl 45 " --> pdb=" O PHECl 40 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N LEUCl 9 " --> pdb=" O ILECl 80 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ILECl 80 " --> pdb=" O LEUCl 9 " (cutoff:3.500A) removed outlier: 6.759A pdb=" N METCl 11 " --> pdb=" O ALACl 78 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N ALACl 78 " --> pdb=" O METCl 11 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N GLUCl 13 " --> pdb=" O VALCl 76 " (cutoff:3.500A) Processing sheet with id=AQ4, first strand: chain 'Dl' and resid 34 through 42 removed outlier: 5.626A pdb=" N LEUDl 35 " --> pdb=" O ARGDl 51 " (cutoff:3.500A) removed outlier: 6.744A pdb=" N ARGDl 51 " --> pdb=" O LEUDl 35 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLYDl 37 " --> pdb=" O LEUDl 49 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N TYRDl 45 " --> pdb=" O VALDl 41 " (cutoff:3.500A) removed outlier: 6.816A pdb=" N LEUDl 9 " --> pdb=" O ILEDl 80 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N ILEDl 80 " --> pdb=" O LEUDl 9 " (cutoff:3.500A) removed outlier: 6.671A pdb=" N METDl 11 " --> pdb=" O ALADl 78 " (cutoff:3.500A) removed outlier: 4.311A pdb=" N ALADl 78 " --> pdb=" O METDl 11 " (cutoff:3.500A) removed outlier: 6.596A pdb=" N GLUDl 13 " --> pdb=" O VALDl 76 " (cutoff:3.500A) Processing sheet with id=AQ5, first strand: chain 'Am' and resid 2 through 9 removed outlier: 6.772A pdb=" N VALAm 26 " --> pdb=" O GLUAm 7 " (cutoff:3.500A) removed outlier: 4.938A pdb=" N THRAm 9 " --> pdb=" O LEUAm 24 " (cutoff:3.500A) removed outlier: 7.693A pdb=" N LEUAm 24 " --> pdb=" O THRAm 9 " (cutoff:3.500A) removed outlier: 7.872A pdb=" N ILEAm 73 " --> pdb=" O VALAm 37 " (cutoff:3.500A) removed outlier: 7.100A pdb=" N VALAm 39 " --> pdb=" O ILEAm 73 " (cutoff:3.500A) removed outlier: 8.328A pdb=" N GLYAm 75 " --> pdb=" O VALAm 39 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N LEUAm 51 " --> pdb=" O ILEAm 74 " (cutoff:3.500A) removed outlier: 4.979A pdb=" N ILEAm 76 " --> pdb=" O TRPAm 49 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N TRPAm 49 " --> pdb=" O ILEAm 76 " (cutoff:3.500A) Processing sheet with id=AQ6, first strand: chain 'Bm' and resid 34 through 42 removed outlier: 5.616A pdb=" N LEUBm 35 " --> pdb=" O ARGBm 51 " (cutoff:3.500A) removed outlier: 6.603A pdb=" N ARGBm 51 " --> pdb=" O LEUBm 35 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N GLYBm 37 " --> pdb=" O LEUBm 49 " (cutoff:3.500A) removed outlier: 6.606A pdb=" N TYRBm 45 " --> pdb=" O VALBm 41 " (cutoff:3.500A) removed outlier: 6.916A pdb=" N LEUBm 9 " --> pdb=" O ILEBm 80 " (cutoff:3.500A) removed outlier: 4.575A pdb=" N ILEBm 80 " --> pdb=" O LEUBm 9 " (cutoff:3.500A) removed outlier: 6.746A pdb=" N METBm 11 " --> pdb=" O ALABm 78 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N ALABm 78 " --> pdb=" O METBm 11 " (cutoff:3.500A) removed outlier: 6.496A pdb=" N GLUBm 13 " --> pdb=" O VALBm 76 " (cutoff:3.500A) Processing sheet with id=AQ7, first strand: chain 'Cm' and resid 34 through 42 removed outlier: 6.784A pdb=" N LEUCm 49 " --> pdb=" O VALCm 36 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N ARGCm 38 " --> pdb=" O THRCm 47 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N THRCm 47 " --> pdb=" O ARGCm 38 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHECm 40 " --> pdb=" O TYRCm 45 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N TYRCm 45 " --> pdb=" O PHECm 40 " (cutoff:3.500A) removed outlier: 6.805A pdb=" N LEUCm 9 " --> pdb=" O ILECm 80 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N ILECm 80 " --> pdb=" O LEUCm 9 " (cutoff:3.500A) removed outlier: 6.730A pdb=" N METCm 11 " --> pdb=" O ALACm 78 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ALACm 78 " --> pdb=" O METCm 11 " (cutoff:3.500A) removed outlier: 6.452A pdb=" N GLUCm 13 " --> pdb=" O VALCm 76 " (cutoff:3.500A) Processing sheet with id=AQ8, first strand: chain 'Dm' and resid 34 through 42 removed outlier: 6.707A pdb=" N LEUDm 49 " --> pdb=" O VALDm 36 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N ARGDm 38 " --> pdb=" O THRDm 47 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N THRDm 47 " --> pdb=" O ARGDm 38 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N PHEDm 40 " --> pdb=" O TYRDm 45 " (cutoff:3.500A) removed outlier: 7.067A pdb=" N TYRDm 45 " --> pdb=" O PHEDm 40 " (cutoff:3.500A) removed outlier: 6.802A pdb=" N LEUDm 9 " --> pdb=" O ILEDm 80 " (cutoff:3.500A) removed outlier: 4.464A pdb=" N ILEDm 80 " --> pdb=" O LEUDm 9 " (cutoff:3.500A) removed outlier: 6.676A pdb=" N METDm 11 " --> pdb=" O ALADm 78 " (cutoff:3.500A) removed outlier: 4.322A pdb=" N ALADm 78 " --> pdb=" O METDm 11 " (cutoff:3.500A) removed outlier: 6.549A pdb=" N GLUDm 13 " --> pdb=" O VALDm 76 " (cutoff:3.500A) Processing sheet with id=AQ9, first strand: chain 'An' and resid 2 through 9 removed outlier: 6.789A pdb=" N VALAn 26 " --> pdb=" O GLUAn 7 " (cutoff:3.500A) removed outlier: 4.876A pdb=" N THRAn 9 " --> pdb=" O LEUAn 24 " (cutoff:3.500A) removed outlier: 7.594A pdb=" N LEUAn 24 " --> pdb=" O THRAn 9 " (cutoff:3.500A) removed outlier: 7.885A pdb=" N ILEAn 73 " --> pdb=" O VALAn 37 " (cutoff:3.500A) removed outlier: 7.036A pdb=" N VALAn 39 " --> pdb=" O ILEAn 73 " (cutoff:3.500A) removed outlier: 8.296A pdb=" N GLYAn 75 " --> pdb=" O VALAn 39 " (cutoff:3.500A) removed outlier: 5.563A pdb=" N ILEAn 73 " --> pdb=" O VALAn 53 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N VALAn 53 " --> pdb=" O ILEAn 73 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N GLYAn 75 " --> pdb=" O LEUAn 51 " (cutoff:3.500A) Processing sheet with id=AR1, first strand: chain 'Bn' and resid 34 through 42 removed outlier: 5.615A pdb=" N LEUBn 35 " --> pdb=" O ARGBn 51 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ARGBn 51 " --> pdb=" O LEUBn 35 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N TYRBn 45 " --> pdb=" O VALBn 41 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N LEUBn 9 " --> pdb=" O ILEBn 80 " (cutoff:3.500A) removed outlier: 4.610A pdb=" N ILEBn 80 " --> pdb=" O LEUBn 9 " (cutoff:3.500A) removed outlier: 6.782A pdb=" N METBn 11 " --> pdb=" O ALABn 78 " (cutoff:3.500A) removed outlier: 4.327A pdb=" N ALABn 78 " --> pdb=" O METBn 11 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N GLUBn 13 " --> pdb=" O VALBn 76 " (cutoff:3.500A) Processing sheet with id=AR2, first strand: chain 'Cn' and resid 34 through 42 removed outlier: 6.759A pdb=" N LEUCn 49 " --> pdb=" O VALCn 36 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N ARGCn 38 " --> pdb=" O THRCn 47 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N THRCn 47 " --> pdb=" O ARGCn 38 " (cutoff:3.500A) removed outlier: 4.593A pdb=" N PHECn 40 " --> pdb=" O TYRCn 45 " (cutoff:3.500A) removed outlier: 6.942A pdb=" N TYRCn 45 " --> pdb=" O PHECn 40 " (cutoff:3.500A) removed outlier: 6.787A pdb=" N LEUCn 9 " --> pdb=" O ILECn 80 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N ILECn 80 " --> pdb=" O LEUCn 9 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N METCn 11 " --> pdb=" O ALACn 78 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N ALACn 78 " --> pdb=" O METCn 11 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N GLUCn 13 " --> pdb=" O VALCn 76 " (cutoff:3.500A) Processing sheet with id=AR3, first strand: chain 'Dn' and resid 34 through 42 removed outlier: 5.654A pdb=" N LEUDn 35 " --> pdb=" O ARGDn 51 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N ARGDn 51 " --> pdb=" O LEUDn 35 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N GLYDn 37 " --> pdb=" O LEUDn 49 " (cutoff:3.500A) removed outlier: 6.558A pdb=" N TYRDn 45 " --> pdb=" O VALDn 41 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUDn 9 " --> pdb=" O ILEDn 80 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N ILEDn 80 " --> pdb=" O LEUDn 9 " (cutoff:3.500A) removed outlier: 6.634A pdb=" N METDn 11 " --> pdb=" O ALADn 78 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N ALADn 78 " --> pdb=" O METDn 11 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N GLUDn 13 " --> pdb=" O VALDn 76 " (cutoff:3.500A) Processing sheet with id=AR4, first strand: chain 'Ao' and resid 2 through 9 removed outlier: 6.807A pdb=" N VALAo 26 " --> pdb=" O GLUAo 7 " (cutoff:3.500A) removed outlier: 4.950A pdb=" N THRAo 9 " --> pdb=" O LEUAo 24 " (cutoff:3.500A) removed outlier: 7.658A pdb=" N LEUAo 24 " --> pdb=" O THRAo 9 " (cutoff:3.500A) removed outlier: 7.879A pdb=" N ILEAo 73 " --> pdb=" O VALAo 37 " (cutoff:3.500A) removed outlier: 7.036A pdb=" N VALAo 39 " --> pdb=" O ILEAo 73 " (cutoff:3.500A) removed outlier: 8.309A pdb=" N GLYAo 75 " --> pdb=" O VALAo 39 " (cutoff:3.500A) removed outlier: 6.467A pdb=" N LEUAo 51 " --> pdb=" O ILEAo 74 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N ILEAo 76 " --> pdb=" O TRPAo 49 " (cutoff:3.500A) removed outlier: 7.542A pdb=" N TRPAo 49 " --> pdb=" O ILEAo 76 " (cutoff:3.500A) Processing sheet with id=AR5, first strand: chain 'Bo' and resid 34 through 42 removed outlier: 5.583A pdb=" N LEUBo 35 " --> pdb=" O ARGBo 51 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N ARGBo 51 " --> pdb=" O LEUBo 35 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N TYRBo 45 " --> pdb=" O VALBo 41 " (cutoff:3.500A) removed outlier: 6.921A pdb=" N LEUBo 9 " --> pdb=" O ILEBo 80 " (cutoff:3.500A) removed outlier: 4.590A pdb=" N ILEBo 80 " --> pdb=" O LEUBo 9 " (cutoff:3.500A) removed outlier: 6.808A pdb=" N METBo 11 " --> pdb=" O ALABo 78 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N ALABo 78 " --> pdb=" O METBo 11 " (cutoff:3.500A) removed outlier: 6.544A pdb=" N GLUBo 13 " --> pdb=" O VALBo 76 " (cutoff:3.500A) Processing sheet with id=AR6, first strand: chain 'Co' and resid 34 through 42 removed outlier: 6.733A pdb=" N LEUCo 49 " --> pdb=" O VALCo 36 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N ARGCo 38 " --> pdb=" O THRCo 47 " (cutoff:3.500A) removed outlier: 6.479A pdb=" N THRCo 47 " --> pdb=" O ARGCo 38 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N PHECo 40 " --> pdb=" O TYRCo 45 " (cutoff:3.500A) removed outlier: 6.926A pdb=" N TYRCo 45 " --> pdb=" O PHECo 40 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N LEUCo 9 " --> pdb=" O ILECo 80 " (cutoff:3.500A) removed outlier: 4.478A pdb=" N ILECo 80 " --> pdb=" O LEUCo 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METCo 11 " --> pdb=" O ALACo 78 " (cutoff:3.500A) removed outlier: 4.348A pdb=" N ALACo 78 " --> pdb=" O METCo 11 " (cutoff:3.500A) removed outlier: 6.463A pdb=" N GLUCo 13 " --> pdb=" O VALCo 76 " (cutoff:3.500A) Processing sheet with id=AR7, first strand: chain 'Do' and resid 34 through 42 removed outlier: 5.606A pdb=" N LEUDo 35 " --> pdb=" O ARGDo 51 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ARGDo 51 " --> pdb=" O LEUDo 35 " (cutoff:3.500A) removed outlier: 6.566A pdb=" N TYRDo 45 " --> pdb=" O VALDo 41 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N LEUDo 9 " --> pdb=" O ILEDo 80 " (cutoff:3.500A) removed outlier: 4.503A pdb=" N ILEDo 80 " --> pdb=" O LEUDo 9 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N METDo 11 " --> pdb=" O ALADo 78 " (cutoff:3.500A) removed outlier: 4.292A pdb=" N ALADo 78 " --> pdb=" O METDo 11 " (cutoff:3.500A) removed outlier: 6.564A pdb=" N GLUDo 13 " --> pdb=" O VALDo 76 " (cutoff:3.500A) Processing sheet with id=AR8, first strand: chain 'Ap' and resid 2 through 9 removed outlier: 6.792A pdb=" N VALAp 26 " --> pdb=" O GLUAp 7 " (cutoff:3.500A) removed outlier: 4.872A pdb=" N THRAp 9 " --> pdb=" O LEUAp 24 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N LEUAp 24 " --> pdb=" O THRAp 9 " (cutoff:3.500A) removed outlier: 7.900A pdb=" N ILEAp 73 " --> pdb=" O VALAp 37 " (cutoff:3.500A) removed outlier: 7.105A pdb=" N VALAp 39 " --> pdb=" O ILEAp 73 " (cutoff:3.500A) removed outlier: 8.325A pdb=" N GLYAp 75 " --> pdb=" O VALAp 39 " (cutoff:3.500A) removed outlier: 6.549A pdb=" N LEUAp 51 " --> pdb=" O ILEAp 74 " (cutoff:3.500A) removed outlier: 4.975A pdb=" N ILEAp 76 " --> pdb=" O TRPAp 49 " (cutoff:3.500A) removed outlier: 7.646A pdb=" N TRPAp 49 " --> pdb=" O ILEAp 76 " (cutoff:3.500A) Processing sheet with id=AR9, first strand: chain 'Bp' and resid 34 through 42 removed outlier: 5.596A pdb=" N LEUBp 35 " --> pdb=" O ARGBp 51 " (cutoff:3.500A) removed outlier: 6.620A pdb=" N ARGBp 51 " --> pdb=" O LEUBp 35 " (cutoff:3.500A) removed outlier: 6.558A pdb=" N TYRBp 45 " --> pdb=" O VALBp 41 " (cutoff:3.500A) removed outlier: 6.918A pdb=" N LEUBp 9 " --> pdb=" O ILEBp 80 " (cutoff:3.500A) removed outlier: 4.566A pdb=" N ILEBp 80 " --> pdb=" O LEUBp 9 " (cutoff:3.500A) removed outlier: 6.756A pdb=" N METBp 11 " --> pdb=" O ALABp 78 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N ALABp 78 " --> pdb=" O METBp 11 " (cutoff:3.500A) removed outlier: 6.531A pdb=" N GLUBp 13 " --> pdb=" O VALBp 76 " (cutoff:3.500A) Processing sheet with id=AS1, first strand: chain 'Cp' and resid 34 through 40 removed outlier: 6.718A pdb=" N LEUCp 49 " --> pdb=" O VALCp 36 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N ARGCp 38 " --> pdb=" O THRCp 47 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N THRCp 47 " --> pdb=" O ARGCp 38 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N PHECp 40 " --> pdb=" O TYRCp 45 " (cutoff:3.500A) removed outlier: 6.910A pdb=" N TYRCp 45 " --> pdb=" O PHECp 40 " (cutoff:3.500A) removed outlier: 6.831A pdb=" N LEUCp 9 " --> pdb=" O ILECp 80 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ILECp 80 " --> pdb=" O LEUCp 9 " (cutoff:3.500A) removed outlier: 6.763A pdb=" N METCp 11 " --> pdb=" O ALACp 78 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N ALACp 78 " --> pdb=" O METCp 11 " (cutoff:3.500A) removed outlier: 6.438A pdb=" N GLUCp 13 " --> pdb=" O VALCp 76 " (cutoff:3.500A) Processing sheet with id=AS2, first strand: chain 'Dp' and resid 34 through 42 removed outlier: 5.597A pdb=" N LEUDp 35 " --> pdb=" O ARGDp 51 " (cutoff:3.500A) removed outlier: 6.755A pdb=" N ARGDp 51 " --> pdb=" O LEUDp 35 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N TYRDp 45 " --> pdb=" O VALDp 41 " (cutoff:3.500A) removed outlier: 6.197A pdb=" N ARGDp 15 " --> pdb=" O LEUDp 75 " (cutoff:3.500A) removed outlier: 6.622A pdb=" N LEUDp 75 " --> pdb=" O ARGDp 15 " (cutoff:3.500A) Processing sheet with id=AS3, first strand: chain 'Aq' and resid 2 through 9 removed outlier: 6.784A pdb=" N VALAq 26 " --> pdb=" O GLUAq 7 " (cutoff:3.500A) removed outlier: 4.917A pdb=" N THRAq 9 " --> pdb=" O LEUAq 24 " (cutoff:3.500A) removed outlier: 7.624A pdb=" N LEUAq 24 " --> pdb=" O THRAq 9 " (cutoff:3.500A) removed outlier: 7.876A pdb=" N ILEAq 73 " --> pdb=" O VALAq 37 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N VALAq 39 " --> pdb=" O ILEAq 73 " (cutoff:3.500A) removed outlier: 8.322A pdb=" N GLYAq 75 " --> pdb=" O VALAq 39 " (cutoff:3.500A) removed outlier: 6.576A pdb=" N LEUAq 51 " --> pdb=" O ILEAq 74 " (cutoff:3.500A) removed outlier: 4.946A pdb=" N ILEAq 76 " --> pdb=" O TRPAq 49 " (cutoff:3.500A) removed outlier: 7.565A pdb=" N TRPAq 49 " --> pdb=" O ILEAq 76 " (cutoff:3.500A) Processing sheet with id=AS4, first strand: chain 'Bq' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUBq 35 " --> pdb=" O ARGBq 51 " (cutoff:3.500A) removed outlier: 6.613A pdb=" N ARGBq 51 " --> pdb=" O LEUBq 35 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLYBq 37 " --> pdb=" O LEUBq 49 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N TYRBq 45 " --> pdb=" O VALBq 41 " (cutoff:3.500A) removed outlier: 6.975A pdb=" N LEUBq 9 " --> pdb=" O ILEBq 80 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N ILEBq 80 " --> pdb=" O LEUBq 9 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N METBq 11 " --> pdb=" O ALABq 78 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N ALABq 78 " --> pdb=" O METBq 11 " (cutoff:3.500A) removed outlier: 6.576A pdb=" N GLUBq 13 " --> pdb=" O VALBq 76 " (cutoff:3.500A) Processing sheet with id=AS5, first strand: chain 'Cq' and resid 34 through 42 removed outlier: 6.718A pdb=" N LEUCq 49 " --> pdb=" O VALCq 36 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N ARGCq 38 " --> pdb=" O THRCq 47 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THRCq 47 " --> pdb=" O ARGCq 38 " (cutoff:3.500A) removed outlier: 4.634A pdb=" N PHECq 40 " --> pdb=" O TYRCq 45 " (cutoff:3.500A) removed outlier: 7.011A pdb=" N TYRCq 45 " --> pdb=" O PHECq 40 " (cutoff:3.500A) removed outlier: 6.825A pdb=" N LEUCq 9 " --> pdb=" O ILECq 80 " (cutoff:3.500A) removed outlier: 4.526A pdb=" N ILECq 80 " --> pdb=" O LEUCq 9 " (cutoff:3.500A) removed outlier: 6.761A pdb=" N METCq 11 " --> pdb=" O ALACq 78 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N ALACq 78 " --> pdb=" O METCq 11 " (cutoff:3.500A) removed outlier: 6.450A pdb=" N GLUCq 13 " --> pdb=" O VALCq 76 " (cutoff:3.500A) Processing sheet with id=AS6, first strand: chain 'Dq' and resid 34 through 42 removed outlier: 5.622A pdb=" N LEUDq 35 " --> pdb=" O ARGDq 51 " (cutoff:3.500A) removed outlier: 6.750A pdb=" N ARGDq 51 " --> pdb=" O LEUDq 35 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYDq 37 " --> pdb=" O LEUDq 49 " (cutoff:3.500A) removed outlier: 6.571A pdb=" N TYRDq 45 " --> pdb=" O VALDq 41 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N LEUDq 9 " --> pdb=" O ILEDq 80 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N ILEDq 80 " --> pdb=" O LEUDq 9 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N METDq 11 " --> pdb=" O ALADq 78 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N ALADq 78 " --> pdb=" O METDq 11 " (cutoff:3.500A) removed outlier: 6.597A pdb=" N GLUDq 13 " --> pdb=" O VALDq 76 " (cutoff:3.500A) Processing sheet with id=AS7, first strand: chain 'Ar' and resid 2 through 9 removed outlier: 6.770A pdb=" N VALAr 26 " --> pdb=" O GLUAr 7 " (cutoff:3.500A) removed outlier: 4.935A pdb=" N THRAr 9 " --> pdb=" O LEUAr 24 " (cutoff:3.500A) removed outlier: 7.692A pdb=" N LEUAr 24 " --> pdb=" O THRAr 9 " (cutoff:3.500A) removed outlier: 7.868A pdb=" N ILEAr 73 " --> pdb=" O VALAr 37 " (cutoff:3.500A) removed outlier: 7.071A pdb=" N VALAr 39 " --> pdb=" O ILEAr 73 " (cutoff:3.500A) removed outlier: 8.303A pdb=" N GLYAr 75 " --> pdb=" O VALAr 39 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N LEUAr 51 " --> pdb=" O ILEAr 74 " (cutoff:3.500A) removed outlier: 4.945A pdb=" N ILEAr 76 " --> pdb=" O TRPAr 49 " (cutoff:3.500A) removed outlier: 7.550A pdb=" N TRPAr 49 " --> pdb=" O ILEAr 76 " (cutoff:3.500A) Processing sheet with id=AS8, first strand: chain 'Br' and resid 34 through 42 removed outlier: 5.615A pdb=" N LEUBr 35 " --> pdb=" O ARGBr 51 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N ARGBr 51 " --> pdb=" O LEUBr 35 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLYBr 37 " --> pdb=" O LEUBr 49 " (cutoff:3.500A) removed outlier: 6.606A pdb=" N TYRBr 45 " --> pdb=" O VALBr 41 " (cutoff:3.500A) removed outlier: 6.920A pdb=" N LEUBr 9 " --> pdb=" O ILEBr 80 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N ILEBr 80 " --> pdb=" O LEUBr 9 " (cutoff:3.500A) removed outlier: 6.746A pdb=" N METBr 11 " --> pdb=" O ALABr 78 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ALABr 78 " --> pdb=" O METBr 11 " (cutoff:3.500A) removed outlier: 6.495A pdb=" N GLUBr 13 " --> pdb=" O VALBr 76 " (cutoff:3.500A) Processing sheet with id=AS9, first strand: chain 'Cr' and resid 34 through 42 removed outlier: 6.785A pdb=" N LEUCr 49 " --> pdb=" O VALCr 36 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N ARGCr 38 " --> pdb=" O THRCr 47 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N THRCr 47 " --> pdb=" O ARGCr 38 " (cutoff:3.500A) removed outlier: 4.626A pdb=" N PHECr 40 " --> pdb=" O TYRCr 45 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N TYRCr 45 " --> pdb=" O PHECr 40 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N LEUCr 9 " --> pdb=" O ILECr 80 " (cutoff:3.500A) removed outlier: 4.461A pdb=" N ILECr 80 " --> pdb=" O LEUCr 9 " (cutoff:3.500A) removed outlier: 6.729A pdb=" N METCr 11 " --> pdb=" O ALACr 78 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N ALACr 78 " --> pdb=" O METCr 11 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N GLUCr 13 " --> pdb=" O VALCr 76 " (cutoff:3.500A) Processing sheet with id=AT1, first strand: chain 'Dr' and resid 34 through 40 removed outlier: 6.725A pdb=" N LEUDr 49 " --> pdb=" O VALDr 36 " (cutoff:3.500A) removed outlier: 4.299A pdb=" N ARGDr 38 " --> pdb=" O THRDr 47 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N THRDr 47 " --> pdb=" O ARGDr 38 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N PHEDr 40 " --> pdb=" O TYRDr 45 " (cutoff:3.500A) removed outlier: 7.043A pdb=" N TYRDr 45 " --> pdb=" O PHEDr 40 " (cutoff:3.500A) removed outlier: 6.803A pdb=" N LEUDr 9 " --> pdb=" O ILEDr 80 " (cutoff:3.500A) removed outlier: 4.463A pdb=" N ILEDr 80 " --> pdb=" O LEUDr 9 " (cutoff:3.500A) removed outlier: 6.682A pdb=" N METDr 11 " --> pdb=" O ALADr 78 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N ALADr 78 " --> pdb=" O METDr 11 " (cutoff:3.500A) removed outlier: 6.549A pdb=" N GLUDr 13 " --> pdb=" O VALDr 76 " (cutoff:3.500A) Processing sheet with id=AT2, first strand: chain 'As' and resid 2 through 9 removed outlier: 6.794A pdb=" N VALAs 26 " --> pdb=" O GLUAs 7 " (cutoff:3.500A) removed outlier: 4.901A pdb=" N THRAs 9 " --> pdb=" O LEUAs 24 " (cutoff:3.500A) removed outlier: 7.612A pdb=" N LEUAs 24 " --> pdb=" O THRAs 9 " (cutoff:3.500A) removed outlier: 7.889A pdb=" N ILEAs 73 " --> pdb=" O VALAs 37 " (cutoff:3.500A) removed outlier: 7.038A pdb=" N VALAs 39 " --> pdb=" O ILEAs 73 " (cutoff:3.500A) removed outlier: 8.297A pdb=" N GLYAs 75 " --> pdb=" O VALAs 39 " (cutoff:3.500A) removed outlier: 5.562A pdb=" N ILEAs 73 " --> pdb=" O VALAs 53 " (cutoff:3.500A) removed outlier: 6.759A pdb=" N VALAs 53 " --> pdb=" O ILEAs 73 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N GLYAs 75 " --> pdb=" O LEUAs 51 " (cutoff:3.500A) Processing sheet with id=AT3, first strand: chain 'Bs' and resid 34 through 42 removed outlier: 5.618A pdb=" N LEUBs 35 " --> pdb=" O ARGBs 51 " (cutoff:3.500A) removed outlier: 6.688A pdb=" N ARGBs 51 " --> pdb=" O LEUBs 35 " (cutoff:3.500A) removed outlier: 6.600A pdb=" N TYRBs 45 " --> pdb=" O VALBs 41 " (cutoff:3.500A) removed outlier: 6.931A pdb=" N LEUBs 9 " --> pdb=" O ILEBs 80 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N ILEBs 80 " --> pdb=" O LEUBs 9 " (cutoff:3.500A) removed outlier: 6.778A pdb=" N METBs 11 " --> pdb=" O ALABs 78 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N ALABs 78 " --> pdb=" O METBs 11 " (cutoff:3.500A) removed outlier: 6.500A pdb=" N GLUBs 13 " --> pdb=" O VALBs 76 " (cutoff:3.500A) Processing sheet with id=AT4, first strand: chain 'Cs' and resid 34 through 42 removed outlier: 6.758A pdb=" N LEUCs 49 " --> pdb=" O VALCs 36 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ARGCs 38 " --> pdb=" O THRCs 47 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N THRCs 47 " --> pdb=" O ARGCs 38 " (cutoff:3.500A) removed outlier: 4.596A pdb=" N PHECs 40 " --> pdb=" O TYRCs 45 " (cutoff:3.500A) removed outlier: 6.950A pdb=" N TYRCs 45 " --> pdb=" O PHECs 40 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUCs 9 " --> pdb=" O ILECs 80 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N ILECs 80 " --> pdb=" O LEUCs 9 " (cutoff:3.500A) removed outlier: 6.731A pdb=" N METCs 11 " --> pdb=" O ALACs 78 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALACs 78 " --> pdb=" O METCs 11 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N GLUCs 13 " --> pdb=" O VALCs 76 " (cutoff:3.500A) Processing sheet with id=AT5, first strand: chain 'Ds' and resid 34 through 42 removed outlier: 5.655A pdb=" N LEUDs 35 " --> pdb=" O ARGDs 51 " (cutoff:3.500A) removed outlier: 6.775A pdb=" N ARGDs 51 " --> pdb=" O LEUDs 35 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLYDs 37 " --> pdb=" O LEUDs 49 " (cutoff:3.500A) removed outlier: 6.558A pdb=" N TYRDs 45 " --> pdb=" O VALDs 41 " (cutoff:3.500A) removed outlier: 6.782A pdb=" N LEUDs 9 " --> pdb=" O ILEDs 80 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N ILEDs 80 " --> pdb=" O LEUDs 9 " (cutoff:3.500A) removed outlier: 6.634A pdb=" N METDs 11 " --> pdb=" O ALADs 78 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N ALADs 78 " --> pdb=" O METDs 11 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N GLUDs 13 " --> pdb=" O VALDs 76 " (cutoff:3.500A) Processing sheet with id=AT6, first strand: chain 'At' and resid 2 through 9 removed outlier: 6.808A pdb=" N VALAt 26 " --> pdb=" O GLUAt 7 " (cutoff:3.500A) removed outlier: 4.949A pdb=" N THRAt 9 " --> pdb=" O LEUAt 24 " (cutoff:3.500A) removed outlier: 7.657A pdb=" N LEUAt 24 " --> pdb=" O THRAt 9 " (cutoff:3.500A) removed outlier: 7.879A pdb=" N ILEAt 73 " --> pdb=" O VALAt 37 " (cutoff:3.500A) removed outlier: 7.036A pdb=" N VALAt 39 " --> pdb=" O ILEAt 73 " (cutoff:3.500A) removed outlier: 8.310A pdb=" N GLYAt 75 " --> pdb=" O VALAt 39 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N LEUAt 51 " --> pdb=" O ILEAt 74 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N ILEAt 76 " --> pdb=" O TRPAt 49 " (cutoff:3.500A) removed outlier: 7.542A pdb=" N TRPAt 49 " --> pdb=" O ILEAt 76 " (cutoff:3.500A) Processing sheet with id=AT7, first strand: chain 'Bt' and resid 34 through 42 removed outlier: 5.580A pdb=" N LEUBt 35 " --> pdb=" O ARGBt 51 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N ARGBt 51 " --> pdb=" O LEUBt 35 " (cutoff:3.500A) removed outlier: 6.587A pdb=" N TYRBt 45 " --> pdb=" O VALBt 41 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N LEUBt 9 " --> pdb=" O ILEBt 80 " (cutoff:3.500A) removed outlier: 4.596A pdb=" N ILEBt 80 " --> pdb=" O LEUBt 9 " (cutoff:3.500A) removed outlier: 6.791A pdb=" N METBt 11 " --> pdb=" O ALABt 78 " (cutoff:3.500A) removed outlier: 4.349A pdb=" N ALABt 78 " --> pdb=" O METBt 11 " (cutoff:3.500A) removed outlier: 6.546A pdb=" N GLUBt 13 " --> pdb=" O VALBt 76 " (cutoff:3.500A) Processing sheet with id=AT8, first strand: chain 'Ct' and resid 34 through 42 removed outlier: 6.736A pdb=" N LEUCt 49 " --> pdb=" O VALCt 36 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N ARGCt 38 " --> pdb=" O THRCt 47 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THRCt 47 " --> pdb=" O ARGCt 38 " (cutoff:3.500A) removed outlier: 4.552A pdb=" N PHECt 40 " --> pdb=" O TYRCt 45 " (cutoff:3.500A) removed outlier: 6.926A pdb=" N TYRCt 45 " --> pdb=" O PHECt 40 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N LEUCt 9 " --> pdb=" O ILECt 80 " (cutoff:3.500A) removed outlier: 4.479A pdb=" N ILECt 80 " --> pdb=" O LEUCt 9 " (cutoff:3.500A) removed outlier: 6.763A pdb=" N METCt 11 " --> pdb=" O ALACt 78 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N ALACt 78 " --> pdb=" O METCt 11 " (cutoff:3.500A) removed outlier: 6.462A pdb=" N GLUCt 13 " --> pdb=" O VALCt 76 " (cutoff:3.500A) Processing sheet with id=AT9, first strand: chain 'Dt' and resid 34 through 42 removed outlier: 5.600A pdb=" N LEUDt 35 " --> pdb=" O ARGDt 51 " (cutoff:3.500A) removed outlier: 6.757A pdb=" N ARGDt 51 " --> pdb=" O LEUDt 35 " (cutoff:3.500A) removed outlier: 6.564A pdb=" N TYRDt 45 " --> pdb=" O VALDt 41 " (cutoff:3.500A) removed outlier: 6.823A pdb=" N LEUDt 9 " --> pdb=" O ILEDt 80 " (cutoff:3.500A) removed outlier: 4.517A pdb=" N ILEDt 80 " --> pdb=" O LEUDt 9 " (cutoff:3.500A) removed outlier: 6.700A pdb=" N METDt 11 " --> pdb=" O ALADt 78 " (cutoff:3.500A) removed outlier: 4.312A pdb=" N ALADt 78 " --> pdb=" O METDt 11 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N GLUDt 13 " --> pdb=" O VALDt 76 " (cutoff:3.500A) Processing sheet with id=AU1, first strand: chain 'Av' and resid 2 through 9 removed outlier: 6.787A pdb=" N VALAv 26 " --> pdb=" O GLUAv 7 " (cutoff:3.500A) removed outlier: 4.872A pdb=" N THRAv 9 " --> pdb=" O LEUAv 24 " (cutoff:3.500A) removed outlier: 7.610A pdb=" N LEUAv 24 " --> pdb=" O THRAv 9 " (cutoff:3.500A) removed outlier: 7.896A pdb=" N ILEAv 73 " --> pdb=" O VALAv 37 " (cutoff:3.500A) removed outlier: 7.104A pdb=" N VALAv 39 " --> pdb=" O ILEAv 73 " (cutoff:3.500A) removed outlier: 8.321A pdb=" N GLYAv 75 " --> pdb=" O VALAv 39 " (cutoff:3.500A) removed outlier: 6.510A pdb=" N LEUAv 51 " --> pdb=" O ILEAv 74 " (cutoff:3.500A) removed outlier: 4.932A pdb=" N ILEAv 76 " --> pdb=" O TRPAv 49 " (cutoff:3.500A) removed outlier: 7.596A pdb=" N TRPAv 49 " --> pdb=" O ILEAv 76 " (cutoff:3.500A) Processing sheet with id=AU2, first strand: chain 'Bv' and resid 34 through 42 removed outlier: 5.596A pdb=" N LEUBv 35 " --> pdb=" O ARGBv 51 " (cutoff:3.500A) removed outlier: 6.620A pdb=" N ARGBv 51 " --> pdb=" O LEUBv 35 " (cutoff:3.500A) removed outlier: 6.557A pdb=" N TYRBv 45 " --> pdb=" O VALBv 41 " (cutoff:3.500A) removed outlier: 6.920A pdb=" N LEUBv 9 " --> pdb=" O ILEBv 80 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N ILEBv 80 " --> pdb=" O LEUBv 9 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N METBv 11 " --> pdb=" O ALABv 78 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N ALABv 78 " --> pdb=" O METBv 11 " (cutoff:3.500A) removed outlier: 6.532A pdb=" N GLUBv 13 " --> pdb=" O VALBv 76 " (cutoff:3.500A) Processing sheet with id=AU3, first strand: chain 'Cv' and resid 34 through 40 removed outlier: 6.719A pdb=" N LEUCv 49 " --> pdb=" O VALCv 36 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N ARGCv 38 " --> pdb=" O THRCv 47 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N THRCv 47 " --> pdb=" O ARGCv 38 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N PHECv 40 " --> pdb=" O TYRCv 45 " (cutoff:3.500A) removed outlier: 6.910A pdb=" N TYRCv 45 " --> pdb=" O PHECv 40 " (cutoff:3.500A) removed outlier: 6.831A pdb=" N LEUCv 9 " --> pdb=" O ILECv 80 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N ILECv 80 " --> pdb=" O LEUCv 9 " (cutoff:3.500A) removed outlier: 6.763A pdb=" N METCv 11 " --> pdb=" O ALACv 78 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N ALACv 78 " --> pdb=" O METCv 11 " (cutoff:3.500A) removed outlier: 6.438A pdb=" N GLUCv 13 " --> pdb=" O VALCv 76 " (cutoff:3.500A) Processing sheet with id=AU4, first strand: chain 'Dv' and resid 34 through 42 removed outlier: 5.624A pdb=" N LEUDv 35 " --> pdb=" O ARGDv 51 " (cutoff:3.500A) removed outlier: 6.708A pdb=" N ARGDv 51 " --> pdb=" O LEUDv 35 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLYDv 37 " --> pdb=" O LEUDv 49 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N TYRDv 45 " --> pdb=" O VALDv 41 " (cutoff:3.500A) removed outlier: 6.202A pdb=" N ARGDv 15 " --> pdb=" O LEUDv 75 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N LEUDv 75 " --> pdb=" O ARGDv 15 " (cutoff:3.500A) Processing sheet with id=AU5, first strand: chain 'Aw' and resid 2 through 9 removed outlier: 6.775A pdb=" N VALAw 26 " --> pdb=" O GLUAw 7 " (cutoff:3.500A) removed outlier: 4.901A pdb=" N THRAw 9 " --> pdb=" O LEUAw 24 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N LEUAw 24 " --> pdb=" O THRAw 9 " (cutoff:3.500A) removed outlier: 7.859A pdb=" N ILEAw 73 " --> pdb=" O VALAw 37 " (cutoff:3.500A) removed outlier: 7.038A pdb=" N VALAw 39 " --> pdb=" O ILEAw 73 " (cutoff:3.500A) removed outlier: 8.292A pdb=" N GLYAw 75 " --> pdb=" O VALAw 39 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N LEUAw 51 " --> pdb=" O ILEAw 74 " (cutoff:3.500A) removed outlier: 4.949A pdb=" N ILEAw 76 " --> pdb=" O TRPAw 49 " (cutoff:3.500A) removed outlier: 7.568A pdb=" N TRPAw 49 " --> pdb=" O ILEAw 76 " (cutoff:3.500A) Processing sheet with id=AU6, first strand: chain 'Bw' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUBw 35 " --> pdb=" O ARGBw 51 " (cutoff:3.500A) removed outlier: 6.607A pdb=" N ARGBw 51 " --> pdb=" O LEUBw 35 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYBw 37 " --> pdb=" O LEUBw 49 " (cutoff:3.500A) removed outlier: 6.597A pdb=" N TYRBw 45 " --> pdb=" O VALBw 41 " (cutoff:3.500A) removed outlier: 6.976A pdb=" N LEUBw 9 " --> pdb=" O ILEBw 80 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N ILEBw 80 " --> pdb=" O LEUBw 9 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N METBw 11 " --> pdb=" O ALABw 78 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N ALABw 78 " --> pdb=" O METBw 11 " (cutoff:3.500A) removed outlier: 6.577A pdb=" N GLUBw 13 " --> pdb=" O VALBw 76 " (cutoff:3.500A) Processing sheet with id=AU7, first strand: chain 'Cw' and resid 34 through 42 removed outlier: 6.731A pdb=" N LEUCw 49 " --> pdb=" O VALCw 36 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N ARGCw 38 " --> pdb=" O THRCw 47 " (cutoff:3.500A) removed outlier: 6.518A pdb=" N THRCw 47 " --> pdb=" O ARGCw 38 " (cutoff:3.500A) removed outlier: 4.629A pdb=" N PHECw 40 " --> pdb=" O TYRCw 45 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N TYRCw 45 " --> pdb=" O PHECw 40 " (cutoff:3.500A) removed outlier: 6.833A pdb=" N LEUCw 9 " --> pdb=" O ILECw 80 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ILECw 80 " --> pdb=" O LEUCw 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METCw 11 " --> pdb=" O ALACw 78 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ALACw 78 " --> pdb=" O METCw 11 " (cutoff:3.500A) removed outlier: 6.447A pdb=" N GLUCw 13 " --> pdb=" O VALCw 76 " (cutoff:3.500A) Processing sheet with id=AU8, first strand: chain 'Dw' and resid 34 through 42 removed outlier: 5.626A pdb=" N LEUDw 35 " --> pdb=" O ARGDw 51 " (cutoff:3.500A) removed outlier: 6.746A pdb=" N ARGDw 51 " --> pdb=" O LEUDw 35 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N GLYDw 37 " --> pdb=" O LEUDw 49 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N TYRDw 45 " --> pdb=" O VALDw 41 " (cutoff:3.500A) removed outlier: 6.815A pdb=" N LEUDw 9 " --> pdb=" O ILEDw 80 " (cutoff:3.500A) removed outlier: 4.479A pdb=" N ILEDw 80 " --> pdb=" O LEUDw 9 " (cutoff:3.500A) removed outlier: 6.679A pdb=" N METDw 11 " --> pdb=" O ALADw 78 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N ALADw 78 " --> pdb=" O METDw 11 " (cutoff:3.500A) removed outlier: 6.582A pdb=" N GLUDw 13 " --> pdb=" O VALDw 76 " (cutoff:3.500A) Processing sheet with id=AU9, first strand: chain 'Ax' and resid 2 through 9 removed outlier: 6.775A pdb=" N VALAx 26 " --> pdb=" O GLUAx 7 " (cutoff:3.500A) removed outlier: 4.940A pdb=" N THRAx 9 " --> pdb=" O LEUAx 24 " (cutoff:3.500A) removed outlier: 7.693A pdb=" N LEUAx 24 " --> pdb=" O THRAx 9 " (cutoff:3.500A) removed outlier: 7.870A pdb=" N ILEAx 73 " --> pdb=" O VALAx 37 " (cutoff:3.500A) removed outlier: 7.071A pdb=" N VALAx 39 " --> pdb=" O ILEAx 73 " (cutoff:3.500A) removed outlier: 8.305A pdb=" N GLYAx 75 " --> pdb=" O VALAx 39 " (cutoff:3.500A) removed outlier: 6.516A pdb=" N LEUAx 51 " --> pdb=" O ILEAx 74 " (cutoff:3.500A) removed outlier: 4.977A pdb=" N ILEAx 76 " --> pdb=" O TRPAx 49 " (cutoff:3.500A) removed outlier: 7.569A pdb=" N TRPAx 49 " --> pdb=" O ILEAx 76 " (cutoff:3.500A) Processing sheet with id=AV1, first strand: chain 'Bx' and resid 34 through 42 removed outlier: 5.615A pdb=" N LEUBx 35 " --> pdb=" O ARGBx 51 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N ARGBx 51 " --> pdb=" O LEUBx 35 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N GLYBx 37 " --> pdb=" O LEUBx 49 " (cutoff:3.500A) removed outlier: 6.606A pdb=" N TYRBx 45 " --> pdb=" O VALBx 41 " (cutoff:3.500A) removed outlier: 6.918A pdb=" N LEUBx 9 " --> pdb=" O ILEBx 80 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ILEBx 80 " --> pdb=" O LEUBx 9 " (cutoff:3.500A) removed outlier: 6.746A pdb=" N METBx 11 " --> pdb=" O ALABx 78 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ALABx 78 " --> pdb=" O METBx 11 " (cutoff:3.500A) removed outlier: 6.494A pdb=" N GLUBx 13 " --> pdb=" O VALBx 76 " (cutoff:3.500A) Processing sheet with id=AV2, first strand: chain 'Cx' and resid 34 through 42 removed outlier: 6.783A pdb=" N LEUCx 49 " --> pdb=" O VALCx 36 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N ARGCx 38 " --> pdb=" O THRCx 47 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N THRCx 47 " --> pdb=" O ARGCx 38 " (cutoff:3.500A) removed outlier: 4.626A pdb=" N PHECx 40 " --> pdb=" O TYRCx 45 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N TYRCx 45 " --> pdb=" O PHECx 40 " (cutoff:3.500A) removed outlier: 6.805A pdb=" N LEUCx 9 " --> pdb=" O ILECx 80 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N ILECx 80 " --> pdb=" O LEUCx 9 " (cutoff:3.500A) removed outlier: 6.731A pdb=" N METCx 11 " --> pdb=" O ALACx 78 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ALACx 78 " --> pdb=" O METCx 11 " (cutoff:3.500A) removed outlier: 6.452A pdb=" N GLUCx 13 " --> pdb=" O VALCx 76 " (cutoff:3.500A) Processing sheet with id=AV3, first strand: chain 'Dx' and resid 34 through 40 removed outlier: 6.727A pdb=" N LEUDx 49 " --> pdb=" O VALDx 36 " (cutoff:3.500A) removed outlier: 4.299A pdb=" N ARGDx 38 " --> pdb=" O THRDx 47 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N THRDx 47 " --> pdb=" O ARGDx 38 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N PHEDx 40 " --> pdb=" O TYRDx 45 " (cutoff:3.500A) removed outlier: 7.041A pdb=" N TYRDx 45 " --> pdb=" O PHEDx 40 " (cutoff:3.500A) removed outlier: 6.801A pdb=" N LEUDx 9 " --> pdb=" O ILEDx 80 " (cutoff:3.500A) removed outlier: 4.461A pdb=" N ILEDx 80 " --> pdb=" O LEUDx 9 " (cutoff:3.500A) removed outlier: 6.678A pdb=" N METDx 11 " --> pdb=" O ALADx 78 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N ALADx 78 " --> pdb=" O METDx 11 " (cutoff:3.500A) removed outlier: 6.545A pdb=" N GLUDx 13 " --> pdb=" O VALDx 76 " (cutoff:3.500A) Processing sheet with id=AV4, first strand: chain 'Ay' and resid 2 through 9 removed outlier: 6.784A pdb=" N VALAy 26 " --> pdb=" O GLUAy 7 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N THRAy 9 " --> pdb=" O LEUAy 24 " (cutoff:3.500A) removed outlier: 7.605A pdb=" N LEUAy 24 " --> pdb=" O THRAy 9 " (cutoff:3.500A) removed outlier: 7.887A pdb=" N ILEAy 73 " --> pdb=" O VALAy 37 " (cutoff:3.500A) removed outlier: 7.043A pdb=" N VALAy 39 " --> pdb=" O ILEAy 73 " (cutoff:3.500A) removed outlier: 8.300A pdb=" N GLYAy 75 " --> pdb=" O VALAy 39 " (cutoff:3.500A) removed outlier: 6.570A pdb=" N LEUAy 51 " --> pdb=" O ILEAy 74 " (cutoff:3.500A) removed outlier: 4.952A pdb=" N ILEAy 76 " --> pdb=" O TRPAy 49 " (cutoff:3.500A) removed outlier: 7.565A pdb=" N TRPAy 49 " --> pdb=" O ILEAy 76 " (cutoff:3.500A) Processing sheet with id=AV5, first strand: chain 'By' and resid 34 through 42 removed outlier: 5.602A pdb=" N LEUBy 35 " --> pdb=" O ARGBy 51 " (cutoff:3.500A) removed outlier: 6.696A pdb=" N ARGBy 51 " --> pdb=" O LEUBy 35 " (cutoff:3.500A) removed outlier: 6.614A pdb=" N TYRBy 45 " --> pdb=" O VALBy 41 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N LEUBy 9 " --> pdb=" O ILEBy 80 " (cutoff:3.500A) removed outlier: 4.614A pdb=" N ILEBy 80 " --> pdb=" O LEUBy 9 " (cutoff:3.500A) removed outlier: 6.786A pdb=" N METBy 11 " --> pdb=" O ALABy 78 " (cutoff:3.500A) removed outlier: 4.333A pdb=" N ALABy 78 " --> pdb=" O METBy 11 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N GLUBy 13 " --> pdb=" O VALBy 76 " (cutoff:3.500A) Processing sheet with id=AV6, first strand: chain 'Cy' and resid 34 through 42 removed outlier: 6.760A pdb=" N LEUCy 49 " --> pdb=" O VALCy 36 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ARGCy 38 " --> pdb=" O THRCy 47 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N THRCy 47 " --> pdb=" O ARGCy 38 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N PHECy 40 " --> pdb=" O TYRCy 45 " (cutoff:3.500A) removed outlier: 6.943A pdb=" N TYRCy 45 " --> pdb=" O PHECy 40 " (cutoff:3.500A) removed outlier: 6.785A pdb=" N LEUCy 9 " --> pdb=" O ILECy 80 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N ILECy 80 " --> pdb=" O LEUCy 9 " (cutoff:3.500A) removed outlier: 6.730A pdb=" N METCy 11 " --> pdb=" O ALACy 78 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N ALACy 78 " --> pdb=" O METCy 11 " (cutoff:3.500A) removed outlier: 6.403A pdb=" N GLUCy 13 " --> pdb=" O VALCy 76 " (cutoff:3.500A) Processing sheet with id=AV7, first strand: chain 'Dy' and resid 34 through 42 removed outlier: 5.655A pdb=" N LEUDy 35 " --> pdb=" O ARGDy 51 " (cutoff:3.500A) removed outlier: 6.775A pdb=" N ARGDy 51 " --> pdb=" O LEUDy 35 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N GLYDy 37 " --> pdb=" O LEUDy 49 " (cutoff:3.500A) removed outlier: 6.559A pdb=" N TYRDy 45 " --> pdb=" O VALDy 41 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUDy 9 " --> pdb=" O ILEDy 80 " (cutoff:3.500A) removed outlier: 4.456A pdb=" N ILEDy 80 " --> pdb=" O LEUDy 9 " (cutoff:3.500A) removed outlier: 6.634A pdb=" N METDy 11 " --> pdb=" O ALADy 78 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N ALADy 78 " --> pdb=" O METDy 11 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N GLUDy 13 " --> pdb=" O VALDy 76 " (cutoff:3.500A) Processing sheet with id=AV8, first strand: chain 'Az' and resid 2 through 9 removed outlier: 6.800A pdb=" N VALAz 26 " --> pdb=" O GLUAz 7 " (cutoff:3.500A) removed outlier: 4.942A pdb=" N THRAz 9 " --> pdb=" O LEUAz 24 " (cutoff:3.500A) removed outlier: 7.646A pdb=" N LEUAz 24 " --> pdb=" O THRAz 9 " (cutoff:3.500A) removed outlier: 7.861A pdb=" N ILEAz 73 " --> pdb=" O VALAz 37 " (cutoff:3.500A) removed outlier: 7.010A pdb=" N VALAz 39 " --> pdb=" O ILEAz 73 " (cutoff:3.500A) removed outlier: 8.304A pdb=" N GLYAz 75 " --> pdb=" O VALAz 39 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N LEUAz 51 " --> pdb=" O ILEAz 74 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N ILEAz 76 " --> pdb=" O TRPAz 49 " (cutoff:3.500A) removed outlier: 7.571A pdb=" N TRPAz 49 " --> pdb=" O ILEAz 76 " (cutoff:3.500A) Processing sheet with id=AV9, first strand: chain 'Bz' and resid 34 through 42 removed outlier: 5.582A pdb=" N LEUBz 35 " --> pdb=" O ARGBz 51 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N ARGBz 51 " --> pdb=" O LEUBz 35 " (cutoff:3.500A) removed outlier: 6.587A pdb=" N TYRBz 45 " --> pdb=" O VALBz 41 " (cutoff:3.500A) removed outlier: 6.918A pdb=" N LEUBz 9 " --> pdb=" O ILEBz 80 " (cutoff:3.500A) removed outlier: 4.587A pdb=" N ILEBz 80 " --> pdb=" O LEUBz 9 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N METBz 11 " --> pdb=" O ALABz 78 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ALABz 78 " --> pdb=" O METBz 11 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLUBz 13 " --> pdb=" O VALBz 76 " (cutoff:3.500A) Processing sheet with id=AW1, first strand: chain 'Cz' and resid 34 through 42 removed outlier: 6.736A pdb=" N LEUCz 49 " --> pdb=" O VALCz 36 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N ARGCz 38 " --> pdb=" O THRCz 47 " (cutoff:3.500A) removed outlier: 6.479A pdb=" N THRCz 47 " --> pdb=" O ARGCz 38 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N PHECz 40 " --> pdb=" O TYRCz 45 " (cutoff:3.500A) removed outlier: 6.926A pdb=" N TYRCz 45 " --> pdb=" O PHECz 40 " (cutoff:3.500A) removed outlier: 6.813A pdb=" N LEUCz 9 " --> pdb=" O ILECz 80 " (cutoff:3.500A) removed outlier: 4.480A pdb=" N ILECz 80 " --> pdb=" O LEUCz 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METCz 11 " --> pdb=" O ALACz 78 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N ALACz 78 " --> pdb=" O METCz 11 " (cutoff:3.500A) removed outlier: 6.462A pdb=" N GLUCz 13 " --> pdb=" O VALCz 76 " (cutoff:3.500A) Processing sheet with id=AW2, first strand: chain 'Dz' and resid 34 through 42 removed outlier: 5.599A pdb=" N LEUDz 35 " --> pdb=" O ARGDz 51 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N ARGDz 51 " --> pdb=" O LEUDz 35 " (cutoff:3.500A) removed outlier: 6.564A pdb=" N TYRDz 45 " --> pdb=" O VALDz 41 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N LEUDz 9 " --> pdb=" O ILEDz 80 " (cutoff:3.500A) removed outlier: 4.514A pdb=" N ILEDz 80 " --> pdb=" O LEUDz 9 " (cutoff:3.500A) removed outlier: 6.698A pdb=" N METDz 11 " --> pdb=" O ALADz 78 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N ALADz 78 " --> pdb=" O METDz 11 " (cutoff:3.500A) removed outlier: 6.597A pdb=" N GLUDz 13 " --> pdb=" O VALDz 76 " (cutoff:3.500A) Processing sheet with id=AW3, first strand: chain 'A0' and resid 2 through 9 removed outlier: 6.776A pdb=" N VALA0 26 " --> pdb=" O GLUA0 7 " (cutoff:3.500A) removed outlier: 4.860A pdb=" N THRA0 9 " --> pdb=" O LEUA0 24 " (cutoff:3.500A) removed outlier: 7.615A pdb=" N LEUA0 24 " --> pdb=" O THRA0 9 " (cutoff:3.500A) removed outlier: 7.907A pdb=" N ILEA0 73 " --> pdb=" O VALA0 37 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N VALA0 39 " --> pdb=" O ILEA0 73 " (cutoff:3.500A) removed outlier: 8.327A pdb=" N GLYA0 75 " --> pdb=" O VALA0 39 " (cutoff:3.500A) removed outlier: 6.533A pdb=" N LEUA0 51 " --> pdb=" O ILEA0 74 " (cutoff:3.500A) removed outlier: 4.943A pdb=" N ILEA0 76 " --> pdb=" O TRPA0 49 " (cutoff:3.500A) removed outlier: 7.608A pdb=" N TRPA0 49 " --> pdb=" O ILEA0 76 " (cutoff:3.500A) Processing sheet with id=AW4, first strand: chain 'B0' and resid 34 through 42 removed outlier: 5.598A pdb=" N LEUB0 35 " --> pdb=" O ARGB0 51 " (cutoff:3.500A) removed outlier: 6.622A pdb=" N ARGB0 51 " --> pdb=" O LEUB0 35 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N TYRB0 45 " --> pdb=" O VALB0 41 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N LEUB0 9 " --> pdb=" O ILEB0 80 " (cutoff:3.500A) removed outlier: 4.573A pdb=" N ILEB0 80 " --> pdb=" O LEUB0 9 " (cutoff:3.500A) removed outlier: 6.760A pdb=" N METB0 11 " --> pdb=" O ALAB0 78 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N ALAB0 78 " --> pdb=" O METB0 11 " (cutoff:3.500A) removed outlier: 6.559A pdb=" N GLUB0 13 " --> pdb=" O VALB0 76 " (cutoff:3.500A) Processing sheet with id=AW5, first strand: chain 'C0' and resid 34 through 40 removed outlier: 6.713A pdb=" N LEUC0 49 " --> pdb=" O VALC0 36 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N ARGC0 38 " --> pdb=" O THRC0 47 " (cutoff:3.500A) removed outlier: 6.552A pdb=" N THRC0 47 " --> pdb=" O ARGC0 38 " (cutoff:3.500A) removed outlier: 4.565A pdb=" N PHEC0 40 " --> pdb=" O TYRC0 45 " (cutoff:3.500A) removed outlier: 6.908A pdb=" N TYRC0 45 " --> pdb=" O PHEC0 40 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N LEUC0 9 " --> pdb=" O ILEC0 80 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N ILEC0 80 " --> pdb=" O LEUC0 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METC0 11 " --> pdb=" O ALAC0 78 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ALAC0 78 " --> pdb=" O METC0 11 " (cutoff:3.500A) removed outlier: 6.435A pdb=" N GLUC0 13 " --> pdb=" O VALC0 76 " (cutoff:3.500A) Processing sheet with id=AW6, first strand: chain 'D0' and resid 34 through 42 removed outlier: 5.608A pdb=" N LEUD0 35 " --> pdb=" O ARGD0 51 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N ARGD0 51 " --> pdb=" O LEUD0 35 " (cutoff:3.500A) removed outlier: 6.544A pdb=" N TYRD0 45 " --> pdb=" O VALD0 41 " (cutoff:3.500A) removed outlier: 6.202A pdb=" N ARGD0 15 " --> pdb=" O LEUD0 75 " (cutoff:3.500A) removed outlier: 6.625A pdb=" N LEUD0 75 " --> pdb=" O ARGD0 15 " (cutoff:3.500A) Processing sheet with id=AW7, first strand: chain 'A1' and resid 2 through 9 removed outlier: 6.774A pdb=" N VALA1 26 " --> pdb=" O GLUA1 7 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N THRA1 9 " --> pdb=" O LEUA1 24 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N LEUA1 24 " --> pdb=" O THRA1 9 " (cutoff:3.500A) removed outlier: 7.857A pdb=" N ILEA1 73 " --> pdb=" O VALA1 37 " (cutoff:3.500A) removed outlier: 7.036A pdb=" N VALA1 39 " --> pdb=" O ILEA1 73 " (cutoff:3.500A) removed outlier: 8.291A pdb=" N GLYA1 75 " --> pdb=" O VALA1 39 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N LEUA1 51 " --> pdb=" O ILEA1 74 " (cutoff:3.500A) removed outlier: 4.950A pdb=" N ILEA1 76 " --> pdb=" O TRPA1 49 " (cutoff:3.500A) removed outlier: 7.568A pdb=" N TRPA1 49 " --> pdb=" O ILEA1 76 " (cutoff:3.500A) Processing sheet with id=AW8, first strand: chain 'B1' and resid 34 through 42 removed outlier: 5.632A pdb=" N LEUB1 35 " --> pdb=" O ARGB1 51 " (cutoff:3.500A) removed outlier: 6.613A pdb=" N ARGB1 51 " --> pdb=" O LEUB1 35 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLYB1 37 " --> pdb=" O LEUB1 49 " (cutoff:3.500A) removed outlier: 6.597A pdb=" N TYRB1 45 " --> pdb=" O VALB1 41 " (cutoff:3.500A) removed outlier: 6.976A pdb=" N LEUB1 9 " --> pdb=" O ILEB1 80 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N ILEB1 80 " --> pdb=" O LEUB1 9 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N METB1 11 " --> pdb=" O ALAB1 78 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N ALAB1 78 " --> pdb=" O METB1 11 " (cutoff:3.500A) removed outlier: 6.576A pdb=" N GLUB1 13 " --> pdb=" O VALB1 76 " (cutoff:3.500A) Processing sheet with id=AW9, first strand: chain 'C1' and resid 34 through 42 removed outlier: 6.732A pdb=" N LEUC1 49 " --> pdb=" O VALC1 36 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N ARGC1 38 " --> pdb=" O THRC1 47 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THRC1 47 " --> pdb=" O ARGC1 38 " (cutoff:3.500A) removed outlier: 4.630A pdb=" N PHEC1 40 " --> pdb=" O TYRC1 45 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N TYRC1 45 " --> pdb=" O PHEC1 40 " (cutoff:3.500A) removed outlier: 6.833A pdb=" N LEUC1 9 " --> pdb=" O ILEC1 80 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ILEC1 80 " --> pdb=" O LEUC1 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METC1 11 " --> pdb=" O ALAC1 78 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N ALAC1 78 " --> pdb=" O METC1 11 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N GLUC1 13 " --> pdb=" O VALC1 76 " (cutoff:3.500A) Processing sheet with id=AX1, first strand: chain 'D1' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUD1 35 " --> pdb=" O ARGD1 51 " (cutoff:3.500A) removed outlier: 6.755A pdb=" N ARGD1 51 " --> pdb=" O LEUD1 35 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLYD1 37 " --> pdb=" O LEUD1 49 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N TYRD1 45 " --> pdb=" O VALD1 41 " (cutoff:3.500A) removed outlier: 6.819A pdb=" N LEUD1 9 " --> pdb=" O ILED1 80 " (cutoff:3.500A) removed outlier: 4.484A pdb=" N ILED1 80 " --> pdb=" O LEUD1 9 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N METD1 11 " --> pdb=" O ALAD1 78 " (cutoff:3.500A) removed outlier: 4.317A pdb=" N ALAD1 78 " --> pdb=" O METD1 11 " (cutoff:3.500A) removed outlier: 6.591A pdb=" N GLUD1 13 " --> pdb=" O VALD1 76 " (cutoff:3.500A) Processing sheet with id=AX2, first strand: chain 'A2' and resid 2 through 9 removed outlier: 6.791A pdb=" N VALA2 26 " --> pdb=" O GLUA2 7 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N THRA2 9 " --> pdb=" O LEUA2 24 " (cutoff:3.500A) removed outlier: 7.698A pdb=" N LEUA2 24 " --> pdb=" O THRA2 9 " (cutoff:3.500A) removed outlier: 7.865A pdb=" N ILEA2 73 " --> pdb=" O VALA2 37 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N VALA2 39 " --> pdb=" O ILEA2 73 " (cutoff:3.500A) removed outlier: 8.309A pdb=" N GLYA2 75 " --> pdb=" O VALA2 39 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N LEUA2 51 " --> pdb=" O ILEA2 74 " (cutoff:3.500A) removed outlier: 4.959A pdb=" N ILEA2 76 " --> pdb=" O TRPA2 49 " (cutoff:3.500A) removed outlier: 7.577A pdb=" N TRPA2 49 " --> pdb=" O ILEA2 76 " (cutoff:3.500A) Processing sheet with id=AX3, first strand: chain 'B2' and resid 34 through 42 removed outlier: 5.615A pdb=" N LEUB2 35 " --> pdb=" O ARGB2 51 " (cutoff:3.500A) removed outlier: 6.602A pdb=" N ARGB2 51 " --> pdb=" O LEUB2 35 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N GLYB2 37 " --> pdb=" O LEUB2 49 " (cutoff:3.500A) removed outlier: 6.606A pdb=" N TYRB2 45 " --> pdb=" O VALB2 41 " (cutoff:3.500A) removed outlier: 6.918A pdb=" N LEUB2 9 " --> pdb=" O ILEB2 80 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N ILEB2 80 " --> pdb=" O LEUB2 9 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N METB2 11 " --> pdb=" O ALAB2 78 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N ALAB2 78 " --> pdb=" O METB2 11 " (cutoff:3.500A) removed outlier: 6.496A pdb=" N GLUB2 13 " --> pdb=" O VALB2 76 " (cutoff:3.500A) Processing sheet with id=AX4, first strand: chain 'C2' and resid 34 through 42 removed outlier: 6.786A pdb=" N LEUC2 49 " --> pdb=" O VALC2 36 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N ARGC2 38 " --> pdb=" O THRC2 47 " (cutoff:3.500A) removed outlier: 6.553A pdb=" N THRC2 47 " --> pdb=" O ARGC2 38 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHEC2 40 " --> pdb=" O TYRC2 45 " (cutoff:3.500A) removed outlier: 7.009A pdb=" N TYRC2 45 " --> pdb=" O PHEC2 40 " (cutoff:3.500A) removed outlier: 6.803A pdb=" N LEUC2 9 " --> pdb=" O ILEC2 80 " (cutoff:3.500A) removed outlier: 4.453A pdb=" N ILEC2 80 " --> pdb=" O LEUC2 9 " (cutoff:3.500A) removed outlier: 6.730A pdb=" N METC2 11 " --> pdb=" O ALAC2 78 " (cutoff:3.500A) removed outlier: 4.290A pdb=" N ALAC2 78 " --> pdb=" O METC2 11 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N GLUC2 13 " --> pdb=" O VALC2 76 " (cutoff:3.500A) Processing sheet with id=AX5, first strand: chain 'D2' and resid 34 through 42 removed outlier: 6.739A pdb=" N LEUD2 49 " --> pdb=" O VALD2 36 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N ARGD2 38 " --> pdb=" O THRD2 47 " (cutoff:3.500A) removed outlier: 6.601A pdb=" N THRD2 47 " --> pdb=" O ARGD2 38 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N PHED2 40 " --> pdb=" O TYRD2 45 " (cutoff:3.500A) removed outlier: 7.058A pdb=" N TYRD2 45 " --> pdb=" O PHED2 40 " (cutoff:3.500A) removed outlier: 6.801A pdb=" N LEUD2 9 " --> pdb=" O ILED2 80 " (cutoff:3.500A) removed outlier: 4.461A pdb=" N ILED2 80 " --> pdb=" O LEUD2 9 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N METD2 11 " --> pdb=" O ALAD2 78 " (cutoff:3.500A) removed outlier: 4.316A pdb=" N ALAD2 78 " --> pdb=" O METD2 11 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLUD2 13 " --> pdb=" O VALD2 76 " (cutoff:3.500A) Processing sheet with id=AX6, first strand: chain 'A3' and resid 2 through 9 removed outlier: 6.789A pdb=" N VALA3 26 " --> pdb=" O GLUA3 7 " (cutoff:3.500A) removed outlier: 4.890A pdb=" N THRA3 9 " --> pdb=" O LEUA3 24 " (cutoff:3.500A) removed outlier: 7.613A pdb=" N LEUA3 24 " --> pdb=" O THRA3 9 " (cutoff:3.500A) removed outlier: 7.885A pdb=" N ILEA3 73 " --> pdb=" O VALA3 37 " (cutoff:3.500A) removed outlier: 7.042A pdb=" N VALA3 39 " --> pdb=" O ILEA3 73 " (cutoff:3.500A) removed outlier: 8.301A pdb=" N GLYA3 75 " --> pdb=" O VALA3 39 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEUA3 51 " --> pdb=" O ILEA3 74 " (cutoff:3.500A) removed outlier: 4.955A pdb=" N ILEA3 76 " --> pdb=" O TRPA3 49 " (cutoff:3.500A) removed outlier: 7.562A pdb=" N TRPA3 49 " --> pdb=" O ILEA3 76 " (cutoff:3.500A) Processing sheet with id=AX7, first strand: chain 'B3' and resid 34 through 40 removed outlier: 5.615A pdb=" N LEUB3 35 " --> pdb=" O ARGB3 51 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N ARGB3 51 " --> pdb=" O LEUB3 35 " (cutoff:3.500A) removed outlier: 6.931A pdb=" N LEUB3 9 " --> pdb=" O ILEB3 80 " (cutoff:3.500A) removed outlier: 4.626A pdb=" N ILEB3 80 " --> pdb=" O LEUB3 9 " (cutoff:3.500A) removed outlier: 6.770A pdb=" N METB3 11 " --> pdb=" O ALAB3 78 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ALAB3 78 " --> pdb=" O METB3 11 " (cutoff:3.500A) removed outlier: 6.492A pdb=" N GLUB3 13 " --> pdb=" O VALB3 76 " (cutoff:3.500A) Processing sheet with id=AX8, first strand: chain 'C3' and resid 34 through 42 removed outlier: 6.756A pdb=" N LEUC3 49 " --> pdb=" O VALC3 36 " (cutoff:3.500A) removed outlier: 4.254A pdb=" N ARGC3 38 " --> pdb=" O THRC3 47 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N THRC3 47 " --> pdb=" O ARGC3 38 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N PHEC3 40 " --> pdb=" O TYRC3 45 " (cutoff:3.500A) removed outlier: 6.946A pdb=" N TYRC3 45 " --> pdb=" O PHEC3 40 " (cutoff:3.500A) removed outlier: 6.785A pdb=" N LEUC3 9 " --> pdb=" O ILEC3 80 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N ILEC3 80 " --> pdb=" O LEUC3 9 " (cutoff:3.500A) removed outlier: 6.730A pdb=" N METC3 11 " --> pdb=" O ALAC3 78 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALAC3 78 " --> pdb=" O METC3 11 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N GLUC3 13 " --> pdb=" O VALC3 76 " (cutoff:3.500A) Processing sheet with id=AX9, first strand: chain 'D3' and resid 34 through 42 removed outlier: 5.659A pdb=" N LEUD3 35 " --> pdb=" O ARGD3 51 " (cutoff:3.500A) removed outlier: 6.766A pdb=" N ARGD3 51 " --> pdb=" O LEUD3 35 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLYD3 37 " --> pdb=" O LEUD3 49 " (cutoff:3.500A) removed outlier: 6.551A pdb=" N TYRD3 45 " --> pdb=" O VALD3 41 " (cutoff:3.500A) removed outlier: 6.779A pdb=" N LEUD3 9 " --> pdb=" O ILED3 80 " (cutoff:3.500A) removed outlier: 4.453A pdb=" N ILED3 80 " --> pdb=" O LEUD3 9 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N METD3 11 " --> pdb=" O ALAD3 78 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N ALAD3 78 " --> pdb=" O METD3 11 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLUD3 13 " --> pdb=" O VALD3 76 " (cutoff:3.500A) Processing sheet with id=AY1, first strand: chain 'A4' and resid 2 through 9 removed outlier: 6.807A pdb=" N VALA4 26 " --> pdb=" O GLUA4 7 " (cutoff:3.500A) removed outlier: 4.950A pdb=" N THRA4 9 " --> pdb=" O LEUA4 24 " (cutoff:3.500A) removed outlier: 7.657A pdb=" N LEUA4 24 " --> pdb=" O THRA4 9 " (cutoff:3.500A) removed outlier: 7.877A pdb=" N ILEA4 73 " --> pdb=" O VALA4 37 " (cutoff:3.500A) removed outlier: 7.028A pdb=" N VALA4 39 " --> pdb=" O ILEA4 73 " (cutoff:3.500A) removed outlier: 8.309A pdb=" N GLYA4 75 " --> pdb=" O VALA4 39 " (cutoff:3.500A) removed outlier: 6.467A pdb=" N LEUA4 51 " --> pdb=" O ILEA4 74 " (cutoff:3.500A) removed outlier: 4.895A pdb=" N ILEA4 76 " --> pdb=" O TRPA4 49 " (cutoff:3.500A) removed outlier: 7.542A pdb=" N TRPA4 49 " --> pdb=" O ILEA4 76 " (cutoff:3.500A) Processing sheet with id=AY2, first strand: chain 'B4' and resid 34 through 42 removed outlier: 5.579A pdb=" N LEUB4 35 " --> pdb=" O ARGB4 51 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N ARGB4 51 " --> pdb=" O LEUB4 35 " (cutoff:3.500A) removed outlier: 6.582A pdb=" N TYRB4 45 " --> pdb=" O VALB4 41 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N LEUB4 9 " --> pdb=" O ILEB4 80 " (cutoff:3.500A) removed outlier: 4.598A pdb=" N ILEB4 80 " --> pdb=" O LEUB4 9 " (cutoff:3.500A) removed outlier: 6.790A pdb=" N METB4 11 " --> pdb=" O ALAB4 78 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N ALAB4 78 " --> pdb=" O METB4 11 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLUB4 13 " --> pdb=" O VALB4 76 " (cutoff:3.500A) Processing sheet with id=AY3, first strand: chain 'C4' and resid 34 through 42 removed outlier: 6.736A pdb=" N LEUC4 49 " --> pdb=" O VALC4 36 " (cutoff:3.500A) removed outlier: 4.204A pdb=" N ARGC4 38 " --> pdb=" O THRC4 47 " (cutoff:3.500A) removed outlier: 6.479A pdb=" N THRC4 47 " --> pdb=" O ARGC4 38 " (cutoff:3.500A) removed outlier: 4.552A pdb=" N PHEC4 40 " --> pdb=" O TYRC4 45 " (cutoff:3.500A) removed outlier: 6.926A pdb=" N TYRC4 45 " --> pdb=" O PHEC4 40 " (cutoff:3.500A) removed outlier: 6.812A pdb=" N LEUC4 9 " --> pdb=" O ILEC4 80 " (cutoff:3.500A) removed outlier: 4.479A pdb=" N ILEC4 80 " --> pdb=" O LEUC4 9 " (cutoff:3.500A) removed outlier: 6.763A pdb=" N METC4 11 " --> pdb=" O ALAC4 78 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N ALAC4 78 " --> pdb=" O METC4 11 " (cutoff:3.500A) removed outlier: 6.462A pdb=" N GLUC4 13 " --> pdb=" O VALC4 76 " (cutoff:3.500A) Processing sheet with id=AY4, first strand: chain 'D4' and resid 34 through 42 removed outlier: 5.607A pdb=" N LEUD4 35 " --> pdb=" O ARGD4 51 " (cutoff:3.500A) removed outlier: 6.756A pdb=" N ARGD4 51 " --> pdb=" O LEUD4 35 " (cutoff:3.500A) removed outlier: 6.582A pdb=" N TYRD4 45 " --> pdb=" O VALD4 41 " (cutoff:3.500A) removed outlier: 6.808A pdb=" N LEUD4 9 " --> pdb=" O ILED4 80 " (cutoff:3.500A) removed outlier: 4.480A pdb=" N ILED4 80 " --> pdb=" O LEUD4 9 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N METD4 11 " --> pdb=" O ALAD4 78 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N ALAD4 78 " --> pdb=" O METD4 11 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N GLUD4 13 " --> pdb=" O VALD4 76 " (cutoff:3.500A) Processing sheet with id=AY5, first strand: chain 'A5' and resid 2 through 9 removed outlier: 6.776A pdb=" N VALA5 26 " --> pdb=" O GLUA5 7 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N THRA5 9 " --> pdb=" O LEUA5 24 " (cutoff:3.500A) removed outlier: 7.604A pdb=" N LEUA5 24 " --> pdb=" O THRA5 9 " (cutoff:3.500A) removed outlier: 7.894A pdb=" N ILEA5 73 " --> pdb=" O VALA5 37 " (cutoff:3.500A) removed outlier: 7.095A pdb=" N VALA5 39 " --> pdb=" O ILEA5 73 " (cutoff:3.500A) removed outlier: 8.319A pdb=" N GLYA5 75 " --> pdb=" O VALA5 39 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N LEUA5 51 " --> pdb=" O ILEA5 74 " (cutoff:3.500A) removed outlier: 4.932A pdb=" N ILEA5 76 " --> pdb=" O TRPA5 49 " (cutoff:3.500A) removed outlier: 7.593A pdb=" N TRPA5 49 " --> pdb=" O ILEA5 76 " (cutoff:3.500A) Processing sheet with id=AY6, first strand: chain 'B5' and resid 34 through 42 removed outlier: 5.596A pdb=" N LEUB5 35 " --> pdb=" O ARGB5 51 " (cutoff:3.500A) removed outlier: 6.620A pdb=" N ARGB5 51 " --> pdb=" O LEUB5 35 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N TYRB5 45 " --> pdb=" O VALB5 41 " (cutoff:3.500A) removed outlier: 6.921A pdb=" N LEUB5 9 " --> pdb=" O ILEB5 80 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N ILEB5 80 " --> pdb=" O LEUB5 9 " (cutoff:3.500A) removed outlier: 6.759A pdb=" N METB5 11 " --> pdb=" O ALAB5 78 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N ALAB5 78 " --> pdb=" O METB5 11 " (cutoff:3.500A) removed outlier: 6.533A pdb=" N GLUB5 13 " --> pdb=" O VALB5 76 " (cutoff:3.500A) Processing sheet with id=AY7, first strand: chain 'C5' and resid 34 through 40 removed outlier: 6.713A pdb=" N LEUC5 49 " --> pdb=" O VALC5 36 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N ARGC5 38 " --> pdb=" O THRC5 47 " (cutoff:3.500A) removed outlier: 6.552A pdb=" N THRC5 47 " --> pdb=" O ARGC5 38 " (cutoff:3.500A) removed outlier: 4.564A pdb=" N PHEC5 40 " --> pdb=" O TYRC5 45 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N TYRC5 45 " --> pdb=" O PHEC5 40 " (cutoff:3.500A) removed outlier: 6.835A pdb=" N LEUC5 9 " --> pdb=" O ILEC5 80 " (cutoff:3.500A) removed outlier: 4.526A pdb=" N ILEC5 80 " --> pdb=" O LEUC5 9 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N METC5 11 " --> pdb=" O ALAC5 78 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N ALAC5 78 " --> pdb=" O METC5 11 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N GLUC5 13 " --> pdb=" O VALC5 76 " (cutoff:3.500A) Processing sheet with id=AY8, first strand: chain 'D5' and resid 34 through 42 removed outlier: 5.624A pdb=" N LEUD5 35 " --> pdb=" O ARGD5 51 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N ARGD5 51 " --> pdb=" O LEUD5 35 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLYD5 37 " --> pdb=" O LEUD5 49 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N TYRD5 45 " --> pdb=" O VALD5 41 " (cutoff:3.500A) removed outlier: 6.197A pdb=" N ARGD5 15 " --> pdb=" O LEUD5 75 " (cutoff:3.500A) removed outlier: 6.624A pdb=" N LEUD5 75 " --> pdb=" O ARGD5 15 " (cutoff:3.500A) Processing sheet with id=AY9, first strand: chain 'A6' and resid 2 through 9 removed outlier: 6.775A pdb=" N VALA6 26 " --> pdb=" O GLUA6 7 " (cutoff:3.500A) removed outlier: 4.901A pdb=" N THRA6 9 " --> pdb=" O LEUA6 24 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N LEUA6 24 " --> pdb=" O THRA6 9 " (cutoff:3.500A) removed outlier: 7.857A pdb=" N ILEA6 73 " --> pdb=" O VALA6 37 " (cutoff:3.500A) removed outlier: 7.037A pdb=" N VALA6 39 " --> pdb=" O ILEA6 73 " (cutoff:3.500A) removed outlier: 8.292A pdb=" N GLYA6 75 " --> pdb=" O VALA6 39 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEUA6 51 " --> pdb=" O ILEA6 74 " (cutoff:3.500A) removed outlier: 4.962A pdb=" N ILEA6 76 " --> pdb=" O TRPA6 49 " (cutoff:3.500A) removed outlier: 7.560A pdb=" N TRPA6 49 " --> pdb=" O ILEA6 76 " (cutoff:3.500A) Processing sheet with id=AZ1, first strand: chain 'B6' and resid 34 through 42 removed outlier: 5.632A pdb=" N LEUB6 35 " --> pdb=" O ARGB6 51 " (cutoff:3.500A) removed outlier: 6.614A pdb=" N ARGB6 51 " --> pdb=" O LEUB6 35 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N GLYB6 37 " --> pdb=" O LEUB6 49 " (cutoff:3.500A) removed outlier: 6.599A pdb=" N TYRB6 45 " --> pdb=" O VALB6 41 " (cutoff:3.500A) removed outlier: 6.968A pdb=" N LEUB6 9 " --> pdb=" O ILEB6 80 " (cutoff:3.500A) removed outlier: 4.664A pdb=" N ILEB6 80 " --> pdb=" O LEUB6 9 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N METB6 11 " --> pdb=" O ALAB6 78 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ALAB6 78 " --> pdb=" O METB6 11 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N GLUB6 13 " --> pdb=" O VALB6 76 " (cutoff:3.500A) Processing sheet with id=AZ2, first strand: chain 'C6' and resid 34 through 42 removed outlier: 6.731A pdb=" N LEUC6 49 " --> pdb=" O VALC6 36 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N ARGC6 38 " --> pdb=" O THRC6 47 " (cutoff:3.500A) removed outlier: 6.518A pdb=" N THRC6 47 " --> pdb=" O ARGC6 38 " (cutoff:3.500A) removed outlier: 4.630A pdb=" N PHEC6 40 " --> pdb=" O TYRC6 45 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N TYRC6 45 " --> pdb=" O PHEC6 40 " (cutoff:3.500A) removed outlier: 6.826A pdb=" N LEUC6 9 " --> pdb=" O ILEC6 80 " (cutoff:3.500A) removed outlier: 4.523A pdb=" N ILEC6 80 " --> pdb=" O LEUC6 9 " (cutoff:3.500A) removed outlier: 6.769A pdb=" N METC6 11 " --> pdb=" O ALAC6 78 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N ALAC6 78 " --> pdb=" O METC6 11 " (cutoff:3.500A) removed outlier: 6.443A pdb=" N GLUC6 13 " --> pdb=" O VALC6 76 " (cutoff:3.500A) Processing sheet with id=AZ3, first strand: chain 'D6' and resid 34 through 42 removed outlier: 5.631A pdb=" N LEUD6 35 " --> pdb=" O ARGD6 51 " (cutoff:3.500A) removed outlier: 6.755A pdb=" N ARGD6 51 " --> pdb=" O LEUD6 35 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLYD6 37 " --> pdb=" O LEUD6 49 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N TYRD6 45 " --> pdb=" O VALD6 41 " (cutoff:3.500A) removed outlier: 6.819A pdb=" N LEUD6 9 " --> pdb=" O ILED6 80 " (cutoff:3.500A) removed outlier: 4.484A pdb=" N ILED6 80 " --> pdb=" O LEUD6 9 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N METD6 11 " --> pdb=" O ALAD6 78 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N ALAD6 78 " --> pdb=" O METD6 11 " (cutoff:3.500A) removed outlier: 6.594A pdb=" N GLUD6 13 " --> pdb=" O VALD6 76 " (cutoff:3.500A) Processing sheet with id=AZ4, first strand: chain 'A7' and resid 2 through 9 removed outlier: 6.768A pdb=" N VALA7 26 " --> pdb=" O GLUA7 7 " (cutoff:3.500A) removed outlier: 4.931A pdb=" N THRA7 9 " --> pdb=" O LEUA7 24 " (cutoff:3.500A) removed outlier: 7.691A pdb=" N LEUA7 24 " --> pdb=" O THRA7 9 " (cutoff:3.500A) removed outlier: 7.872A pdb=" N ILEA7 73 " --> pdb=" O VALA7 37 " (cutoff:3.500A) removed outlier: 7.082A pdb=" N VALA7 39 " --> pdb=" O ILEA7 73 " (cutoff:3.500A) removed outlier: 8.310A pdb=" N GLYA7 75 " --> pdb=" O VALA7 39 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N LEUA7 51 " --> pdb=" O ILEA7 74 " (cutoff:3.500A) removed outlier: 4.943A pdb=" N ILEA7 76 " --> pdb=" O TRPA7 49 " (cutoff:3.500A) removed outlier: 7.548A pdb=" N TRPA7 49 " --> pdb=" O ILEA7 76 " (cutoff:3.500A) Processing sheet with id=AZ5, first strand: chain 'B7' and resid 34 through 42 removed outlier: 5.615A pdb=" N LEUB7 35 " --> pdb=" O ARGB7 51 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N ARGB7 51 " --> pdb=" O LEUB7 35 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N GLYB7 37 " --> pdb=" O LEUB7 49 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N TYRB7 45 " --> pdb=" O VALB7 41 " (cutoff:3.500A) removed outlier: 6.919A pdb=" N LEUB7 9 " --> pdb=" O ILEB7 80 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ILEB7 80 " --> pdb=" O LEUB7 9 " (cutoff:3.500A) removed outlier: 6.748A pdb=" N METB7 11 " --> pdb=" O ALAB7 78 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ALAB7 78 " --> pdb=" O METB7 11 " (cutoff:3.500A) removed outlier: 6.500A pdb=" N GLUB7 13 " --> pdb=" O VALB7 76 " (cutoff:3.500A) Processing sheet with id=AZ6, first strand: chain 'C7' and resid 34 through 42 removed outlier: 6.784A pdb=" N LEUC7 49 " --> pdb=" O VALC7 36 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N ARGC7 38 " --> pdb=" O THRC7 47 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N THRC7 47 " --> pdb=" O ARGC7 38 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHEC7 40 " --> pdb=" O TYRC7 45 " (cutoff:3.500A) removed outlier: 7.010A pdb=" N TYRC7 45 " --> pdb=" O PHEC7 40 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N LEUC7 9 " --> pdb=" O ILEC7 80 " (cutoff:3.500A) removed outlier: 4.459A pdb=" N ILEC7 80 " --> pdb=" O LEUC7 9 " (cutoff:3.500A) removed outlier: 6.731A pdb=" N METC7 11 " --> pdb=" O ALAC7 78 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ALAC7 78 " --> pdb=" O METC7 11 " (cutoff:3.500A) removed outlier: 6.453A pdb=" N GLUC7 13 " --> pdb=" O VALC7 76 " (cutoff:3.500A) Processing sheet with id=AZ7, first strand: chain 'D7' and resid 34 through 42 removed outlier: 6.711A pdb=" N LEUD7 49 " --> pdb=" O VALD7 36 " (cutoff:3.500A) removed outlier: 4.306A pdb=" N ARGD7 38 " --> pdb=" O THRD7 47 " (cutoff:3.500A) removed outlier: 6.605A pdb=" N THRD7 47 " --> pdb=" O ARGD7 38 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N PHED7 40 " --> pdb=" O TYRD7 45 " (cutoff:3.500A) removed outlier: 7.068A pdb=" N TYRD7 45 " --> pdb=" O PHED7 40 " (cutoff:3.500A) removed outlier: 6.804A pdb=" N LEUD7 9 " --> pdb=" O ILED7 80 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILED7 80 " --> pdb=" O LEUD7 9 " (cutoff:3.500A) removed outlier: 6.676A pdb=" N METD7 11 " --> pdb=" O ALAD7 78 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N ALAD7 78 " --> pdb=" O METD7 11 " (cutoff:3.500A) removed outlier: 6.547A pdb=" N GLUD7 13 " --> pdb=" O VALD7 76 " (cutoff:3.500A) Processing sheet with id=AZ8, first strand: chain 'A8' and resid 2 through 9 removed outlier: 6.795A pdb=" N VALA8 26 " --> pdb=" O GLUA8 7 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N THRA8 9 " --> pdb=" O LEUA8 24 " (cutoff:3.500A) removed outlier: 7.609A pdb=" N LEUA8 24 " --> pdb=" O THRA8 9 " (cutoff:3.500A) removed outlier: 7.883A pdb=" N ILEA8 73 " --> pdb=" O VALA8 37 " (cutoff:3.500A) removed outlier: 7.028A pdb=" N VALA8 39 " --> pdb=" O ILEA8 73 " (cutoff:3.500A) removed outlier: 8.290A pdb=" N GLYA8 75 " --> pdb=" O VALA8 39 " (cutoff:3.500A) removed outlier: 6.571A pdb=" N LEUA8 51 " --> pdb=" O ILEA8 74 " (cutoff:3.500A) removed outlier: 4.955A pdb=" N ILEA8 76 " --> pdb=" O TRPA8 49 " (cutoff:3.500A) removed outlier: 7.563A pdb=" N TRPA8 49 " --> pdb=" O ILEA8 76 " (cutoff:3.500A) Processing sheet with id=AZ9, first strand: chain 'B8' and resid 34 through 42 removed outlier: 5.602A pdb=" N LEUB8 35 " --> pdb=" O ARGB8 51 " (cutoff:3.500A) removed outlier: 6.696A pdb=" N ARGB8 51 " --> pdb=" O LEUB8 35 " (cutoff:3.500A) removed outlier: 6.605A pdb=" N TYRB8 45 " --> pdb=" O VALB8 41 " (cutoff:3.500A) removed outlier: 6.927A pdb=" N LEUB8 9 " --> pdb=" O ILEB8 80 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILEB8 80 " --> pdb=" O LEUB8 9 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N METB8 11 " --> pdb=" O ALAB8 78 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N ALAB8 78 " --> pdb=" O METB8 11 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N GLUB8 13 " --> pdb=" O VALB8 76 " (cutoff:3.500A) Processing sheet with id=BA1, first strand: chain 'C8' and resid 34 through 42 removed outlier: 6.756A pdb=" N LEUC8 49 " --> pdb=" O VALC8 36 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N ARGC8 38 " --> pdb=" O THRC8 47 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N THRC8 47 " --> pdb=" O ARGC8 38 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N PHEC8 40 " --> pdb=" O TYRC8 45 " (cutoff:3.500A) removed outlier: 6.946A pdb=" N TYRC8 45 " --> pdb=" O PHEC8 40 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUC8 9 " --> pdb=" O ILEC8 80 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N ILEC8 80 " --> pdb=" O LEUC8 9 " (cutoff:3.500A) removed outlier: 6.731A pdb=" N METC8 11 " --> pdb=" O ALAC8 78 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ALAC8 78 " --> pdb=" O METC8 11 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N GLUC8 13 " --> pdb=" O VALC8 76 " (cutoff:3.500A) Processing sheet with id=BA2, first strand: chain 'D8' and resid 34 through 42 removed outlier: 5.655A pdb=" N LEUD8 35 " --> pdb=" O ARGD8 51 " (cutoff:3.500A) removed outlier: 6.735A pdb=" N ARGD8 51 " --> pdb=" O LEUD8 35 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYD8 37 " --> pdb=" O LEUD8 49 " (cutoff:3.500A) removed outlier: 6.558A pdb=" N TYRD8 45 " --> pdb=" O VALD8 41 " (cutoff:3.500A) removed outlier: 6.791A pdb=" N LEUD8 9 " --> pdb=" O ILED8 80 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N ILED8 80 " --> pdb=" O LEUD8 9 " (cutoff:3.500A) removed outlier: 6.631A pdb=" N METD8 11 " --> pdb=" O ALAD8 78 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N ALAD8 78 " --> pdb=" O METD8 11 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N GLUD8 13 " --> pdb=" O VALD8 76 " (cutoff:3.500A) Processing sheet with id=BA3, first strand: chain 'A9' and resid 2 through 9 removed outlier: 6.806A pdb=" N VALA9 26 " --> pdb=" O GLUA9 7 " (cutoff:3.500A) removed outlier: 4.956A pdb=" N THRA9 9 " --> pdb=" O LEUA9 24 " (cutoff:3.500A) removed outlier: 7.665A pdb=" N LEUA9 24 " --> pdb=" O THRA9 9 " (cutoff:3.500A) removed outlier: 7.878A pdb=" N ILEA9 73 " --> pdb=" O VALA9 37 " (cutoff:3.500A) removed outlier: 7.029A pdb=" N VALA9 39 " --> pdb=" O ILEA9 73 " (cutoff:3.500A) removed outlier: 8.310A pdb=" N GLYA9 75 " --> pdb=" O VALA9 39 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N LEUA9 51 " --> pdb=" O ILEA9 74 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N ILEA9 76 " --> pdb=" O TRPA9 49 " (cutoff:3.500A) removed outlier: 7.542A pdb=" N TRPA9 49 " --> pdb=" O ILEA9 76 " (cutoff:3.500A) Processing sheet with id=BA4, first strand: chain 'B9' and resid 34 through 42 removed outlier: 5.583A pdb=" N LEUB9 35 " --> pdb=" O ARGB9 51 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N ARGB9 51 " --> pdb=" O LEUB9 35 " (cutoff:3.500A) removed outlier: 6.587A pdb=" N TYRB9 45 " --> pdb=" O VALB9 41 " (cutoff:3.500A) removed outlier: 6.918A pdb=" N LEUB9 9 " --> pdb=" O ILEB9 80 " (cutoff:3.500A) removed outlier: 4.587A pdb=" N ILEB9 80 " --> pdb=" O LEUB9 9 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N METB9 11 " --> pdb=" O ALAB9 78 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ALAB9 78 " --> pdb=" O METB9 11 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLUB9 13 " --> pdb=" O VALB9 76 " (cutoff:3.500A) Processing sheet with id=BA5, first strand: chain 'C9' and resid 34 through 42 removed outlier: 6.734A pdb=" N LEUC9 49 " --> pdb=" O VALC9 36 " (cutoff:3.500A) removed outlier: 4.204A pdb=" N ARGC9 38 " --> pdb=" O THRC9 47 " (cutoff:3.500A) removed outlier: 6.480A pdb=" N THRC9 47 " --> pdb=" O ARGC9 38 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N PHEC9 40 " --> pdb=" O TYRC9 45 " (cutoff:3.500A) removed outlier: 6.925A pdb=" N TYRC9 45 " --> pdb=" O PHEC9 40 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N LEUC9 9 " --> pdb=" O ILEC9 80 " (cutoff:3.500A) removed outlier: 4.480A pdb=" N ILEC9 80 " --> pdb=" O LEUC9 9 " (cutoff:3.500A) removed outlier: 6.760A pdb=" N METC9 11 " --> pdb=" O ALAC9 78 " (cutoff:3.500A) removed outlier: 4.343A pdb=" N ALAC9 78 " --> pdb=" O METC9 11 " (cutoff:3.500A) removed outlier: 6.460A pdb=" N GLUC9 13 " --> pdb=" O VALC9 76 " (cutoff:3.500A) Processing sheet with id=BA6, first strand: chain 'D9' and resid 34 through 42 removed outlier: 5.598A pdb=" N LEUD9 35 " --> pdb=" O ARGD9 51 " (cutoff:3.500A) removed outlier: 6.757A pdb=" N ARGD9 51 " --> pdb=" O LEUD9 35 " (cutoff:3.500A) removed outlier: 6.563A pdb=" N TYRD9 45 " --> pdb=" O VALD9 41 " (cutoff:3.500A) removed outlier: 6.822A pdb=" N LEUD9 9 " --> pdb=" O ILED9 80 " (cutoff:3.500A) removed outlier: 4.514A pdb=" N ILED9 80 " --> pdb=" O LEUD9 9 " (cutoff:3.500A) removed outlier: 6.702A pdb=" N METD9 11 " --> pdb=" O ALAD9 78 " (cutoff:3.500A) removed outlier: 4.312A pdb=" N ALAD9 78 " --> pdb=" O METD9 11 " (cutoff:3.500A) removed outlier: 6.597A pdb=" N GLUD9 13 " --> pdb=" O VALD9 76 " (cutoff:3.500A) 7790 hydrogen bonds defined for protein. 21516 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: 142.75 Time building geometry restraints manager: 50.38 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.33: 37982 1.33 - 1.45: 23383 1.45 - 1.57: 89175 1.57 - 1.69: 0 1.69 - 1.81: 1380 Bond restraints: 151920 Sorted by residual: bond pdb=" CB VALAI 39 " pdb=" CG2 VALAI 39 " ideal model delta sigma weight residual 1.521 1.453 0.068 3.30e-02 9.18e+02 4.19e+00 bond pdb=" CB VALA8 39 " pdb=" CG2 VALA8 39 " ideal model delta sigma weight residual 1.521 1.454 0.067 3.30e-02 9.18e+02 4.15e+00 bond pdb=" CB VALAi 39 " pdb=" CG2 VALAi 39 " ideal model delta sigma weight residual 1.521 1.454 0.067 3.30e-02 9.18e+02 4.14e+00 bond pdb=" CB VALAN 39 " pdb=" CG2 VALAN 39 " ideal model delta sigma weight residual 1.521 1.454 0.067 3.30e-02 9.18e+02 4.14e+00 bond pdb=" CB VALAY 39 " pdb=" CG2 VALAY 39 " ideal model delta sigma weight residual 1.521 1.454 0.067 3.30e-02 9.18e+02 4.10e+00 ... (remaining 151915 not shown) Histogram of bond angle deviations from ideal: 99.18 - 106.16: 3331 106.16 - 113.14: 85726 113.14 - 120.12: 51255 120.12 - 127.10: 64117 127.10 - 134.08: 1371 Bond angle restraints: 205800 Sorted by residual: angle pdb=" CA GLUAV 7 " pdb=" CB GLUAV 7 " pdb=" CG GLUAV 7 " ideal model delta sigma weight residual 114.10 121.69 -7.59 2.00e+00 2.50e-01 1.44e+01 angle pdb=" CA GLUAF 7 " pdb=" CB GLUAF 7 " pdb=" CG GLUAF 7 " ideal model delta sigma weight residual 114.10 121.67 -7.57 2.00e+00 2.50e-01 1.43e+01 angle pdb=" CA GLUAe 7 " pdb=" CB GLUAe 7 " pdb=" CG GLUAe 7 " ideal model delta sigma weight residual 114.10 121.61 -7.51 2.00e+00 2.50e-01 1.41e+01 angle pdb=" CA GLUAj 7 " pdb=" CB GLUAj 7 " pdb=" CG GLUAj 7 " ideal model delta sigma weight residual 114.10 121.58 -7.48 2.00e+00 2.50e-01 1.40e+01 angle pdb=" CA GLUAJ 7 " pdb=" CB GLUAJ 7 " pdb=" CG GLUAJ 7 " ideal model delta sigma weight residual 114.10 121.58 -7.48 2.00e+00 2.50e-01 1.40e+01 ... (remaining 205795 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 18.20: 80181 18.20 - 36.40: 8457 36.40 - 54.61: 2030 54.61 - 72.81: 240 72.81 - 91.01: 232 Dihedral angle restraints: 91140 sinusoidal: 33840 harmonic: 57300 Sorted by residual: dihedral pdb=" CA SERA6 55 " pdb=" C SERA6 55 " pdb=" N SERA6 56 " pdb=" CA SERA6 56 " ideal model delta harmonic sigma weight residual 180.00 159.86 20.14 0 5.00e+00 4.00e-02 1.62e+01 dihedral pdb=" CA SERAg 55 " pdb=" C SERAg 55 " pdb=" N SERAg 56 " pdb=" CA SERAg 56 " ideal model delta harmonic sigma weight residual 180.00 159.88 20.12 0 5.00e+00 4.00e-02 1.62e+01 dihedral pdb=" CA SERAL 55 " pdb=" C SERAL 55 " pdb=" N SERAL 56 " pdb=" CA SERAL 56 " ideal model delta harmonic sigma weight residual 180.00 159.89 20.11 0 5.00e+00 4.00e-02 1.62e+01 ... (remaining 91137 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.032: 12239 0.032 - 0.064: 7286 0.064 - 0.096: 3157 0.096 - 0.128: 1787 0.128 - 0.160: 431 Chirality restraints: 24900 Sorted by residual: chirality pdb=" CA ILECF 80 " pdb=" N ILECF 80 " pdb=" C ILECF 80 " pdb=" CB ILECF 80 " both_signs ideal model delta sigma weight residual False 2.43 2.59 -0.16 2.00e-01 2.50e+01 6.43e-01 chirality pdb=" CA ILECp 80 " pdb=" N ILECp 80 " pdb=" C ILECp 80 " pdb=" CB ILECp 80 " both_signs ideal model delta sigma weight residual False 2.43 2.59 -0.16 2.00e-01 2.50e+01 6.21e-01 chirality pdb=" CA ILECl 80 " pdb=" N ILECl 80 " pdb=" C ILECl 80 " pdb=" CB ILECl 80 " both_signs ideal model delta sigma weight residual False 2.43 2.59 -0.16 2.00e-01 2.50e+01 6.19e-01 ... (remaining 24897 not shown) Planarity restraints: 26760 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB TRPAd 28 " -0.041 2.00e-02 2.50e+03 4.52e-02 5.11e+01 pdb=" CG TRPAd 28 " 0.114 2.00e-02 2.50e+03 pdb=" CD1 TRPAd 28 " -0.072 2.00e-02 2.50e+03 pdb=" CD2 TRPAd 28 " 0.003 2.00e-02 2.50e+03 pdb=" NE1 TRPAd 28 " 0.009 2.00e-02 2.50e+03 pdb=" CE2 TRPAd 28 " 0.012 2.00e-02 2.50e+03 pdb=" CE3 TRPAd 28 " -0.003 2.00e-02 2.50e+03 pdb=" CZ2 TRPAd 28 " 0.001 2.00e-02 2.50e+03 pdb=" CZ3 TRPAd 28 " -0.014 2.00e-02 2.50e+03 pdb=" CH2 TRPAd 28 " -0.009 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TRPAH 28 " 0.034 2.00e-02 2.50e+03 4.43e-02 4.91e+01 pdb=" CG TRPAH 28 " -0.109 2.00e-02 2.50e+03 pdb=" CD1 TRPAH 28 " 0.077 2.00e-02 2.50e+03 pdb=" CD2 TRPAH 28 " -0.002 2.00e-02 2.50e+03 pdb=" NE1 TRPAH 28 " -0.011 2.00e-02 2.50e+03 pdb=" CE2 TRPAH 28 " -0.015 2.00e-02 2.50e+03 pdb=" CE3 TRPAH 28 " 0.005 2.00e-02 2.50e+03 pdb=" CZ2 TRPAH 28 " -0.004 2.00e-02 2.50e+03 pdb=" CZ3 TRPAH 28 " 0.015 2.00e-02 2.50e+03 pdb=" CH2 TRPAH 28 " 0.010 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TRPAK 28 " 0.041 2.00e-02 2.50e+03 4.40e-02 4.85e+01 pdb=" CG TRPAK 28 " -0.111 2.00e-02 2.50e+03 pdb=" CD1 TRPAK 28 " 0.070 2.00e-02 2.50e+03 pdb=" CD2 TRPAK 28 " -0.004 2.00e-02 2.50e+03 pdb=" NE1 TRPAK 28 " -0.009 2.00e-02 2.50e+03 pdb=" CE2 TRPAK 28 " -0.012 2.00e-02 2.50e+03 pdb=" CE3 TRPAK 28 " 0.002 2.00e-02 2.50e+03 pdb=" CZ2 TRPAK 28 " -0.001 2.00e-02 2.50e+03 pdb=" CZ3 TRPAK 28 " 0.015 2.00e-02 2.50e+03 pdb=" CH2 TRPAK 28 " 0.009 2.00e-02 2.50e+03 ... (remaining 26757 not shown) Histogram of nonbonded interaction distances: 2.09 - 2.65: 1197 2.65 - 3.21: 123502 3.21 - 3.78: 214688 3.78 - 4.34: 313275 4.34 - 4.90: 537965 Nonbonded interactions: 1190627 Sorted by model distance: nonbonded pdb=" OE1 GLUCG 13 " pdb=" OG1 THRCG 47 " model vdw 2.090 2.440 nonbonded pdb=" OE1 GLUCl 13 " pdb=" OG1 THRCl 47 " model vdw 2.091 2.440 nonbonded pdb=" OE1 GLUC6 13 " pdb=" OG1 THRC6 47 " model vdw 2.091 2.440 nonbonded pdb=" OE1 GLUCL 13 " pdb=" OG1 THRCL 47 " model vdw 2.092 2.440 nonbonded pdb=" OE1 GLUCw 13 " pdb=" OG1 THRCw 47 " model vdw 2.092 2.440 ... (remaining 1190622 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 'A0' selection = chain 'A1' selection = chain 'A2' selection = chain 'A3' selection = chain 'A4' selection = chain 'A5' selection = chain 'A6' selection = chain 'A7' selection = chain 'A8' selection = chain 'A9' selection = chain 'AA' selection = chain 'AB' selection = chain 'AC' selection = chain 'AD' selection = chain 'AE' selection = chain 'AF' selection = chain 'AG' selection = chain 'AH' selection = chain 'AI' selection = chain 'AJ' selection = chain 'AK' selection = chain 'AL' selection = chain 'AM' selection = chain 'AN' selection = chain 'AO' selection = chain 'AP' selection = chain 'AQ' selection = chain 'AR' selection = chain 'AS' selection = chain 'AT' selection = chain 'AV' selection = chain 'AW' selection = chain 'AX' selection = chain 'AY' selection = chain 'AZ' selection = chain 'Aa' selection = chain 'Ab' selection = chain 'Ac' selection = chain 'Ad' selection = chain 'Ae' selection = chain 'Af' selection = chain 'Ag' selection = chain 'Ah' selection = chain 'Ai' selection = chain 'Aj' selection = chain 'Ak' selection = chain 'Al' selection = chain 'Am' selection = chain 'An' selection = chain 'Ao' selection = chain 'Ap' selection = chain 'Aq' selection = chain 'Ar' selection = chain 'As' selection = chain 'At' selection = chain 'Av' selection = chain 'Aw' selection = chain 'Ax' selection = chain 'Ay' selection = chain 'Az' } ncs_group { reference = chain 'B0' selection = chain 'B1' selection = chain 'B2' selection = chain 'B3' selection = chain 'B4' selection = chain 'B5' selection = chain 'B6' selection = chain 'B7' selection = chain 'B8' selection = chain 'B9' selection = chain 'BA' selection = chain 'BB' selection = chain 'BC' selection = chain 'BD' selection = chain 'BE' selection = chain 'BF' selection = chain 'BG' selection = chain 'BH' selection = chain 'BI' selection = chain 'BJ' selection = chain 'BK' selection = chain 'BL' selection = chain 'BM' selection = chain 'BN' selection = chain 'BO' selection = chain 'BP' selection = chain 'BQ' selection = chain 'BR' selection = chain 'BS' selection = chain 'BT' selection = chain 'BV' selection = chain 'BW' selection = chain 'BX' selection = chain 'BY' selection = chain 'BZ' selection = chain 'Ba' selection = chain 'Bb' selection = chain 'Bc' selection = chain 'Bd' selection = chain 'Be' selection = chain 'Bf' selection = chain 'Bg' selection = chain 'Bh' selection = chain 'Bi' selection = chain 'Bj' selection = chain 'Bk' selection = chain 'Bl' selection = chain 'Bm' selection = chain 'Bn' selection = chain 'Bo' selection = chain 'Bp' selection = chain 'Bq' selection = chain 'Br' selection = chain 'Bs' selection = chain 'Bt' selection = chain 'Bv' selection = chain 'Bw' selection = chain 'Bx' selection = chain 'By' selection = chain 'Bz' selection = chain 'C0' selection = chain 'C1' selection = chain 'C2' selection = chain 'C3' selection = chain 'C4' selection = chain 'C5' selection = chain 'C6' selection = chain 'C7' selection = chain 'C8' selection = chain 'C9' selection = chain 'CA' selection = chain 'CB' selection = chain 'CC' selection = chain 'CD' selection = chain 'CE' selection = chain 'CF' selection = chain 'CG' selection = chain 'CH' selection = chain 'CI' selection = chain 'CJ' selection = chain 'CK' selection = chain 'CL' selection = chain 'CM' selection = chain 'CN' selection = chain 'CO' selection = chain 'CP' selection = chain 'CQ' selection = chain 'CR' selection = chain 'CS' selection = chain 'CT' selection = chain 'CV' selection = chain 'CW' selection = chain 'CX' selection = chain 'CY' selection = chain 'CZ' selection = chain 'Ca' selection = chain 'Cb' selection = chain 'Cc' selection = chain 'Cd' selection = chain 'Ce' selection = chain 'Cf' selection = chain 'Cg' selection = chain 'Ch' selection = chain 'Ci' selection = chain 'Cj' selection = chain 'Ck' selection = chain 'Cl' selection = chain 'Cm' selection = chain 'Cn' selection = chain 'Co' selection = chain 'Cp' selection = chain 'Cq' selection = chain 'Cr' selection = chain 'Cs' selection = chain 'Ct' selection = chain 'Cv' selection = chain 'Cw' selection = chain 'Cx' selection = chain 'Cy' selection = chain 'Cz' selection = chain 'D0' selection = chain 'D1' selection = chain 'D2' selection = chain 'D3' selection = chain 'D4' selection = chain 'D5' selection = chain 'D6' selection = chain 'D7' selection = chain 'D8' selection = chain 'D9' selection = chain 'DA' selection = chain 'DB' selection = chain 'DC' selection = chain 'DD' selection = chain 'DE' selection = chain 'DF' selection = chain 'DG' selection = chain 'DH' selection = chain 'DI' selection = chain 'DJ' selection = chain 'DK' selection = chain 'DL' selection = chain 'DM' selection = chain 'DN' selection = chain 'DO' selection = chain 'DP' selection = chain 'DQ' selection = chain 'DR' selection = chain 'DS' selection = chain 'DT' selection = chain 'DV' selection = chain 'DW' selection = chain 'DX' selection = chain 'DY' selection = chain 'DZ' selection = chain 'Da' selection = chain 'Db' selection = chain 'Dc' selection = chain 'Dd' selection = chain 'De' selection = chain 'Df' selection = chain 'Dg' selection = chain 'Dh' selection = chain 'Di' selection = chain 'Dj' selection = chain 'Dk' selection = chain 'Dl' selection = chain 'Dm' selection = chain 'Dn' selection = chain 'Do' selection = chain 'Dp' selection = chain 'Dq' selection = chain 'Dr' selection = chain 'Ds' selection = chain 'Dt' selection = chain 'Dv' selection = chain 'Dw' selection = chain 'Dx' selection = chain 'Dy' selection = chain 'Dz' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic 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: 2.350 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: 0.180 Extract box with map and model: 12.440 Check model and map are aligned: 1.610 Set scattering table: 1.020 Process input model: 388.530 Find NCS groups from input model: 9.700 Set up NCS constraints: 7.090 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.040 Load rotamer database and sin/cos tables:12.420 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 435.390 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8422 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.068 151920 Z= 0.490 Angle : 0.921 9.723 205800 Z= 0.512 Chirality : 0.053 0.160 24900 Planarity : 0.005 0.045 26760 Dihedral : 16.467 91.009 54660 Min Nonbonded Distance : 2.090 Molprobity Statistics. All-atom Clashscore : 5.46 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.16 % Favored : 97.84 % Rotamer: Outliers : 0.00 % Allowed : 0.95 % Favored : 99.05 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.01 (0.06), residues: 20340 helix: 0.14 (0.06), residues: 6240 sheet: 1.71 (0.08), residues: 4740 loop : -1.01 (0.06), residues: 9360 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.114 0.011 TRPAd 28 HIS 0.011 0.002 HISCn 85 PHE 0.016 0.002 PHECm 40 TYR 0.018 0.003 TYRBD 45 ARG 0.011 0.001 ARGCx 34 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3691 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3691 time to evaluate : 12.433 Fit side-chains REVERT: BA 83 ARG cc_start: 0.8048 (ptt180) cc_final: 0.7792 (ptt180) REVERT: AE 22 LYS cc_start: 0.8880 (mptt) cc_final: 0.8590 (mmtt) REVERT: CE 70 ARG cc_start: 0.6842 (ttm110) cc_final: 0.6575 (ttm-80) REVERT: AJ 22 LYS cc_start: 0.8875 (mptt) cc_final: 0.8586 (mmtt) REVERT: CJ 70 ARG cc_start: 0.6839 (ttm110) cc_final: 0.6565 (ttm-80) REVERT: AO 22 LYS cc_start: 0.8873 (mptt) cc_final: 0.8583 (mmtt) REVERT: CO 70 ARG cc_start: 0.6839 (ttm110) cc_final: 0.6574 (ttm-80) REVERT: BP 83 ARG cc_start: 0.8062 (ptt180) cc_final: 0.7790 (ptt180) REVERT: AT 22 LYS cc_start: 0.8878 (mptt) cc_final: 0.8585 (mmtt) REVERT: CT 70 ARG cc_start: 0.6836 (ttm110) cc_final: 0.6576 (ttm-80) REVERT: AZ 1 MET cc_start: 0.8844 (mpp) cc_final: 0.8641 (mpt) REVERT: AZ 22 LYS cc_start: 0.8860 (mptt) cc_final: 0.8566 (mmtt) REVERT: CZ 70 ARG cc_start: 0.6821 (ttm110) cc_final: 0.6554 (ttm-80) REVERT: Ab 22 LYS cc_start: 0.8660 (mttp) cc_final: 0.8387 (mttt) REVERT: Ae 22 LYS cc_start: 0.8861 (mptt) cc_final: 0.8570 (mmtt) REVERT: Ce 70 ARG cc_start: 0.6827 (ttm110) cc_final: 0.6557 (ttm-80) REVERT: Af 2 LYS cc_start: 0.8547 (mmtp) cc_final: 0.8321 (mppt) REVERT: Aj 22 LYS cc_start: 0.8858 (mptt) cc_final: 0.8568 (mmtt) REVERT: Cj 34 ARG cc_start: 0.7993 (ttp80) cc_final: 0.7525 (ttp80) REVERT: Bk 83 ARG cc_start: 0.8065 (ptt180) cc_final: 0.7816 (ptt180) REVERT: Ao 22 LYS cc_start: 0.8864 (mptt) cc_final: 0.8569 (mmtt) REVERT: Co 70 ARG cc_start: 0.6833 (ttm110) cc_final: 0.6563 (ttm-80) REVERT: Aq 4 MET cc_start: 0.7959 (mmt) cc_final: 0.7462 (mmt) REVERT: Aq 22 LYS cc_start: 0.8718 (mttt) cc_final: 0.8367 (mttt) REVERT: At 22 LYS cc_start: 0.8865 (mptt) cc_final: 0.8571 (mmtt) REVERT: Ct 70 ARG cc_start: 0.6832 (ttm110) cc_final: 0.6562 (ttm-80) REVERT: Bv 83 ARG cc_start: 0.8052 (ptt180) cc_final: 0.7790 (ptt180) REVERT: Az 4 MET cc_start: 0.7932 (mmt) cc_final: 0.7728 (mmt) REVERT: Az 22 LYS cc_start: 0.8868 (mptt) cc_final: 0.8563 (mmtt) REVERT: Cz 70 ARG cc_start: 0.6830 (ttm110) cc_final: 0.6556 (ttm-80) REVERT: A4 4 MET cc_start: 0.7970 (mmt) cc_final: 0.7769 (mmt) REVERT: A4 22 LYS cc_start: 0.8865 (mptt) cc_final: 0.8572 (mmtt) REVERT: C4 70 ARG cc_start: 0.6823 (ttm110) cc_final: 0.6551 (ttm-80) REVERT: A9 4 MET cc_start: 0.8004 (mmt) cc_final: 0.7803 (mmt) REVERT: A9 22 LYS cc_start: 0.8872 (mptt) cc_final: 0.8571 (mmtt) REVERT: C9 70 ARG cc_start: 0.6833 (ttm110) cc_final: 0.6550 (ttm-80) outliers start: 0 outliers final: 0 residues processed: 3691 average time/residue: 2.7757 time to fit residues: 13619.1763 Evaluate side-chains 3563 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3563 time to evaluate : 12.009 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1621 optimal weight: 5.9990 chunk 1455 optimal weight: 7.9990 chunk 807 optimal weight: 6.9990 chunk 497 optimal weight: 5.9990 chunk 981 optimal weight: 5.9990 chunk 777 optimal weight: 9.9990 chunk 1504 optimal weight: 9.9990 chunk 582 optimal weight: 0.6980 chunk 915 optimal weight: 10.0000 chunk 1120 optimal weight: 20.0000 chunk 1743 optimal weight: 9.9990 overall best weight: 5.1388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AA 5 GLN BA 85 HIS BA 90 ASN DA 58 ASN AB 21 HIS CB 58 ASN DB 85 HIS AC 5 GLN AC 21 HIS BC 85 HIS BC 90 ASN CC 58 ASN CC 85 HIS DC 58 ASN AD 5 GLN BD 58 ASN BD 85 HIS CD 58 ASN CD 85 HIS DD 85 HIS AE 5 GLN AE 21 HIS BE 85 HIS BE 90 ASN DE 85 HIS DE 90 ASN AF 5 GLN BF 90 ASN CF 58 ASN DF 58 ASN AG 21 HIS CG 58 ASN DG 85 HIS AH 5 GLN AH 21 HIS BH 58 ASN BH 85 HIS BH 90 ASN CH 58 ASN CH 85 HIS DH 58 ASN DH 85 HIS AI 5 GLN BI 58 ASN BI 90 ASN CI 58 ASN DI 58 ASN DI 85 HIS AJ 5 GLN AJ 21 HIS BJ 85 HIS BJ 90 ASN DJ 85 HIS DJ 90 ASN AK 5 GLN BK 90 ASN DK 58 ASN DK 85 HIS DK 90 ASN AL 21 HIS DL 85 HIS AM 5 GLN AM 21 HIS BM 58 ASN BM 85 HIS BM 90 ASN CM 58 ASN CM 85 HIS DM 58 ASN DM 85 HIS AN 5 GLN CN 58 ASN DN 58 ASN DN 85 HIS AO 5 GLN AO 21 HIS BO 85 HIS BO 90 ASN DO 85 HIS DO 90 ASN AP 5 GLN BP 85 HIS BP 90 ASN DP 58 ASN DP 90 ASN AQ 21 HIS BQ 90 ASN CQ 58 ASN CQ 85 HIS DQ 85 HIS AR 5 GLN BR 85 HIS BR 90 ASN CR 58 ASN CR 85 HIS DR 58 ASN AS 5 GLN BS 58 ASN BS 85 HIS BS 90 ASN CS 58 ASN DS 58 ASN DS 85 HIS AT 5 GLN AT 21 HIS BT 85 HIS BT 90 ASN DT 85 HIS DT 90 ASN BV 85 HIS BV 90 ASN DV 58 ASN AW 21 HIS CW 58 ASN DW 85 HIS AX 5 GLN AX 21 HIS BX 85 HIS BX 90 ASN CX 58 ASN CX 85 HIS DX 58 ASN AY 5 GLN BY 58 ASN BY 85 HIS BY 90 ASN CY 58 ASN DY 85 HIS AZ 5 GLN AZ 21 HIS BZ 85 HIS BZ 90 ASN DZ 85 HIS DZ 90 ASN Aa 5 GLN Ba 90 ASN Da 58 ASN Db 85 HIS Ac 5 GLN Ac 21 HIS Bc 58 ASN Bc 85 HIS Bc 90 ASN Cc 58 ASN Cc 85 HIS Dc 58 ASN Dc 85 HIS Bd 58 ASN Bd 85 HIS Bd 90 ASN Cd 58 ASN Cd 85 HIS Dd 58 ASN Dd 85 HIS Ae 5 GLN Ae 21 HIS Be 85 HIS Be 90 ASN De 85 HIS De 90 ASN Af 5 GLN Bf 85 HIS Bf 90 ASN Df 58 ASN Df 85 HIS Df 90 ASN Ag 21 HIS Dg 85 HIS Ah 5 GLN Ah 21 HIS Bh 85 HIS Bh 90 ASN Ch 58 ASN Ch 85 HIS Dh 58 ASN Dh 85 HIS Ai 5 GLN Bi 85 HIS Bi 90 ASN Ci 58 ASN Di 85 HIS Aj 5 GLN Aj 21 HIS Bj 85 HIS Bj 90 ASN Dj 85 HIS Dj 90 ASN Ak 5 GLN Bk 90 ASN Dk 58 ASN Dk 85 HIS Dk 90 ASN Al 21 HIS Bl 90 ASN Cl 58 ASN Am 5 GLN Am 21 HIS Bm 85 HIS Bm 90 ASN Cm 58 ASN Cm 85 HIS Dm 58 ASN Bn 58 ASN Cn 58 ASN Cn 85 HIS Dn 58 ASN Dn 85 HIS Ao 5 GLN Ao 21 HIS Bo 85 HIS Bo 90 ASN Do 85 HIS Do 90 ASN Bp 85 HIS Bp 90 ASN Dp 58 ASN Aq 21 HIS Cq 58 ASN Ar 5 GLN Ar 21 HIS Br 85 HIS Br 90 ASN Cr 58 ASN Cr 85 HIS Dr 58 ASN Dr 85 HIS As 5 GLN Bs 58 ASN Bs 85 HIS Cs 58 ASN Ds 58 ASN Ds 85 HIS At 5 GLN At 21 HIS Bt 85 HIS Bt 90 ASN Dt 85 HIS Dt 90 ASN Av 5 GLN Bv 90 ASN Dv 58 ASN Aw 21 HIS Dw 85 HIS Ax 5 GLN Ax 21 HIS Bx 85 HIS Bx 90 ASN Cx 58 ASN Cx 85 HIS Dx 58 ASN Dx 85 HIS Ay 5 GLN By 58 ASN By 90 ASN Cy 58 ASN Cy 85 HIS Dy 58 ASN Dy 85 HIS Az 5 GLN Az 21 HIS Bz 85 HIS Bz 90 ASN Dz 85 HIS Dz 90 ASN A0 5 GLN B0 90 ASN D0 58 ASN D0 85 HIS A1 21 HIS D1 85 HIS A2 5 GLN A2 21 HIS B2 85 HIS B2 90 ASN C2 58 ASN C2 85 HIS C2 90 ASN D2 58 ASN A3 5 GLN B3 85 HIS B3 90 ASN C3 58 ASN D3 85 HIS A4 5 GLN A4 21 HIS B4 85 HIS B4 90 ASN D4 90 ASN A5 5 GLN B5 85 HIS B5 90 ASN D5 58 ASN D5 85 HIS D5 90 ASN A6 21 HIS D6 85 HIS A7 5 GLN A7 21 HIS B7 85 HIS B7 90 ASN C7 58 ASN C7 85 HIS C7 90 ASN D7 58 ASN D7 85 HIS A8 5 GLN B8 58 ASN B8 85 HIS B8 90 ASN C8 58 ASN D8 58 ASN D8 85 HIS A9 5 GLN A9 21 HIS B9 85 HIS B9 90 ASN D9 85 HIS D9 90 ASN Total number of N/Q/H flips: 318 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8381 moved from start: 0.1100 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.037 151920 Z= 0.250 Angle : 0.652 6.843 205800 Z= 0.345 Chirality : 0.045 0.138 24900 Planarity : 0.004 0.034 26760 Dihedral : 5.072 20.524 22260 Min Nonbonded Distance : 2.109 Molprobity Statistics. All-atom Clashscore : 5.19 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.34 % Favored : 97.66 % Rotamer: Outliers : 2.28 % Allowed : 14.87 % Favored : 82.84 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.50 (0.06), residues: 20340 helix: 0.70 (0.06), residues: 6240 sheet: 1.15 (0.07), residues: 6000 loop : -0.52 (0.07), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.047 0.004 TRPAL 28 HIS 0.005 0.001 HISCn 85 PHE 0.008 0.001 PHEDf 40 TYR 0.010 0.001 TYRCG 45 ARG 0.008 0.001 ARGCx 34 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3933 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 340 poor density : 3593 time to evaluate : 12.537 Fit side-chains REVERT: AA 7 GLU cc_start: 0.7715 (OUTLIER) cc_final: 0.6919 (mt-10) REVERT: AA 28 TRP cc_start: 0.8610 (OUTLIER) cc_final: 0.7493 (p90) REVERT: BA 13 GLU cc_start: 0.8330 (tt0) cc_final: 0.8066 (tp30) REVERT: DB 13 GLU cc_start: 0.8548 (OUTLIER) cc_final: 0.8145 (tp30) REVERT: DB 22 GLU cc_start: 0.7579 (OUTLIER) cc_final: 0.6925 (tm-30) REVERT: AC 7 GLU cc_start: 0.7840 (OUTLIER) cc_final: 0.7118 (mt-10) REVERT: AC 30 LYS cc_start: 0.8293 (OUTLIER) cc_final: 0.8005 (pmmt) REVERT: AC 65 LYS cc_start: 0.8162 (OUTLIER) cc_final: 0.7831 (ptpp) REVERT: BC 13 GLU cc_start: 0.8258 (tt0) cc_final: 0.7711 (tp30) REVERT: DC 22 GLU cc_start: 0.7564 (OUTLIER) cc_final: 0.6908 (tm-30) REVERT: AD 7 GLU cc_start: 0.7911 (OUTLIER) cc_final: 0.7378 (mt-10) REVERT: AD 22 LYS cc_start: 0.8804 (OUTLIER) cc_final: 0.7592 (mppt) REVERT: AE 7 GLU cc_start: 0.7838 (OUTLIER) cc_final: 0.7038 (mt-10) REVERT: AE 22 LYS cc_start: 0.8876 (mptt) cc_final: 0.8545 (mmtt) REVERT: AE 28 TRP cc_start: 0.8568 (OUTLIER) cc_final: 0.7319 (p90) REVERT: CE 70 ARG cc_start: 0.6686 (ttm110) cc_final: 0.6388 (ttm-80) REVERT: AF 28 TRP cc_start: 0.8616 (OUTLIER) cc_final: 0.7589 (p90) REVERT: BF 13 GLU cc_start: 0.8314 (tt0) cc_final: 0.8047 (tp30) REVERT: AG 7 GLU cc_start: 0.7855 (OUTLIER) cc_final: 0.7652 (mt-10) REVERT: DG 13 GLU cc_start: 0.8550 (OUTLIER) cc_final: 0.8161 (tp30) REVERT: DG 22 GLU cc_start: 0.7580 (OUTLIER) cc_final: 0.6921 (tm-30) REVERT: AH 7 GLU cc_start: 0.7814 (OUTLIER) cc_final: 0.7037 (mt-10) REVERT: AH 30 LYS cc_start: 0.8256 (OUTLIER) cc_final: 0.7969 (pmmt) REVERT: AH 65 LYS cc_start: 0.8217 (OUTLIER) cc_final: 0.7825 (ptpp) REVERT: BH 13 GLU cc_start: 0.8240 (tt0) cc_final: 0.7718 (tp30) REVERT: DH 22 GLU cc_start: 0.7530 (OUTLIER) cc_final: 0.6861 (tm-30) REVERT: AI 7 GLU cc_start: 0.7873 (OUTLIER) cc_final: 0.7364 (mt-10) REVERT: AI 22 LYS cc_start: 0.8795 (OUTLIER) cc_final: 0.7574 (mppt) REVERT: AJ 7 GLU cc_start: 0.7820 (OUTLIER) cc_final: 0.7021 (mt-10) REVERT: AJ 22 LYS cc_start: 0.8870 (mptt) cc_final: 0.8541 (mmtt) REVERT: AJ 28 TRP cc_start: 0.8563 (OUTLIER) cc_final: 0.7319 (p90) REVERT: CJ 70 ARG cc_start: 0.6684 (ttm110) cc_final: 0.6385 (ttm-80) REVERT: AK 7 GLU cc_start: 0.7745 (OUTLIER) cc_final: 0.7080 (mm-30) REVERT: AK 28 TRP cc_start: 0.8622 (OUTLIER) cc_final: 0.7324 (p90) REVERT: BK 13 GLU cc_start: 0.8318 (tt0) cc_final: 0.8051 (tp30) REVERT: DL 13 GLU cc_start: 0.8547 (OUTLIER) cc_final: 0.8168 (tp30) REVERT: DL 22 GLU cc_start: 0.7579 (OUTLIER) cc_final: 0.6922 (tm-30) REVERT: AM 7 GLU cc_start: 0.7889 (OUTLIER) cc_final: 0.7165 (mt-10) REVERT: AM 30 LYS cc_start: 0.8327 (OUTLIER) cc_final: 0.8020 (pmmt) REVERT: AM 65 LYS cc_start: 0.8219 (OUTLIER) cc_final: 0.7834 (ptpp) REVERT: BM 13 GLU cc_start: 0.8255 (tt0) cc_final: 0.7705 (tp30) REVERT: DM 22 GLU cc_start: 0.7547 (OUTLIER) cc_final: 0.6882 (tm-30) REVERT: AN 7 GLU cc_start: 0.7926 (OUTLIER) cc_final: 0.7396 (mt-10) REVERT: AN 22 LYS cc_start: 0.8796 (OUTLIER) cc_final: 0.7594 (mppt) REVERT: AO 7 GLU cc_start: 0.7819 (OUTLIER) cc_final: 0.7021 (mt-10) REVERT: AO 22 LYS cc_start: 0.8867 (mptt) cc_final: 0.8527 (mmtp) REVERT: AO 28 TRP cc_start: 0.8568 (OUTLIER) cc_final: 0.7320 (p90) REVERT: CO 70 ARG cc_start: 0.6690 (ttm110) cc_final: 0.6395 (ttm-80) REVERT: AP 7 GLU cc_start: 0.7691 (OUTLIER) cc_final: 0.6885 (mt-10) REVERT: AP 8 LYS cc_start: 0.8469 (OUTLIER) cc_final: 0.8161 (pttm) REVERT: AP 28 TRP cc_start: 0.8609 (OUTLIER) cc_final: 0.7420 (p90) REVERT: DQ 13 GLU cc_start: 0.8573 (OUTLIER) cc_final: 0.8171 (tp30) REVERT: DQ 22 GLU cc_start: 0.7561 (OUTLIER) cc_final: 0.6918 (tm-30) REVERT: AR 7 GLU cc_start: 0.7916 (OUTLIER) cc_final: 0.7167 (mt-10) REVERT: AR 65 LYS cc_start: 0.8222 (OUTLIER) cc_final: 0.7857 (ptpp) REVERT: BR 13 GLU cc_start: 0.8254 (tt0) cc_final: 0.7713 (tp30) REVERT: DR 22 GLU cc_start: 0.7530 (OUTLIER) cc_final: 0.6866 (tm-30) REVERT: AS 7 GLU cc_start: 0.7920 (OUTLIER) cc_final: 0.7378 (mt-10) REVERT: AS 22 LYS cc_start: 0.8812 (OUTLIER) cc_final: 0.7610 (mppt) REVERT: AT 7 GLU cc_start: 0.7822 (OUTLIER) cc_final: 0.7022 (mt-10) REVERT: AT 22 LYS cc_start: 0.8874 (mptt) cc_final: 0.8542 (mmtt) REVERT: AT 28 TRP cc_start: 0.8569 (OUTLIER) cc_final: 0.7320 (p90) REVERT: CT 70 ARG cc_start: 0.6687 (ttm110) cc_final: 0.6389 (ttm-80) REVERT: AV 28 TRP cc_start: 0.8629 (OUTLIER) cc_final: 0.7642 (p90) REVERT: BV 13 GLU cc_start: 0.8303 (tt0) cc_final: 0.8062 (tp30) REVERT: DW 13 GLU cc_start: 0.8570 (OUTLIER) cc_final: 0.8155 (tp30) REVERT: DW 22 GLU cc_start: 0.7538 (OUTLIER) cc_final: 0.6883 (tm-30) REVERT: AX 7 GLU cc_start: 0.7848 (OUTLIER) cc_final: 0.7133 (mt-10) REVERT: AX 30 LYS cc_start: 0.8325 (OUTLIER) cc_final: 0.8038 (pmmt) REVERT: AX 65 LYS cc_start: 0.8180 (OUTLIER) cc_final: 0.7851 (ptpp) REVERT: BX 13 GLU cc_start: 0.8243 (tt0) cc_final: 0.7707 (tp30) REVERT: DX 22 GLU cc_start: 0.7546 (OUTLIER) cc_final: 0.6866 (tm-30) REVERT: AY 7 GLU cc_start: 0.7955 (OUTLIER) cc_final: 0.7427 (mt-10) REVERT: AY 22 LYS cc_start: 0.8768 (OUTLIER) cc_final: 0.7581 (mppt) REVERT: AZ 7 GLU cc_start: 0.7819 (OUTLIER) cc_final: 0.7033 (mt-10) REVERT: AZ 22 LYS cc_start: 0.8857 (mptt) cc_final: 0.8533 (mmtt) REVERT: AZ 28 TRP cc_start: 0.8581 (OUTLIER) cc_final: 0.7410 (p90) REVERT: CZ 70 ARG cc_start: 0.6674 (ttm110) cc_final: 0.6373 (ttm-80) REVERT: Aa 7 GLU cc_start: 0.7693 (OUTLIER) cc_final: 0.6898 (mt-10) REVERT: Aa 28 TRP cc_start: 0.8596 (OUTLIER) cc_final: 0.7489 (p90) REVERT: Ab 1 MET cc_start: 0.8734 (mpp) cc_final: 0.8501 (mpt) REVERT: Ab 7 GLU cc_start: 0.7808 (OUTLIER) cc_final: 0.7040 (mt-10) REVERT: Ab 22 LYS cc_start: 0.8584 (mttp) cc_final: 0.8270 (mttt) REVERT: Ab 65 LYS cc_start: 0.8268 (OUTLIER) cc_final: 0.7959 (ptpp) REVERT: Db 13 GLU cc_start: 0.8559 (OUTLIER) cc_final: 0.8173 (tp30) REVERT: Db 22 GLU cc_start: 0.7558 (OUTLIER) cc_final: 0.6893 (tm-30) REVERT: Ac 7 GLU cc_start: 0.7831 (OUTLIER) cc_final: 0.7167 (mt-10) REVERT: Ac 30 LYS cc_start: 0.8320 (OUTLIER) cc_final: 0.8024 (pmmt) REVERT: Ac 65 LYS cc_start: 0.8222 (OUTLIER) cc_final: 0.7819 (ptpp) REVERT: Bc 13 GLU cc_start: 0.8227 (tt0) cc_final: 0.7712 (tp30) REVERT: Dc 22 GLU cc_start: 0.7515 (OUTLIER) cc_final: 0.6838 (tm-30) REVERT: Ad 7 GLU cc_start: 0.7946 (OUTLIER) cc_final: 0.7316 (mt-10) REVERT: Ad 22 LYS cc_start: 0.8780 (OUTLIER) cc_final: 0.7582 (mppt) REVERT: Ae 7 GLU cc_start: 0.7870 (OUTLIER) cc_final: 0.6949 (mm-30) REVERT: Ae 22 LYS cc_start: 0.8861 (mptt) cc_final: 0.8527 (mmtt) REVERT: Ae 28 TRP cc_start: 0.8577 (OUTLIER) cc_final: 0.7311 (p90) REVERT: Ce 70 ARG cc_start: 0.6673 (ttm110) cc_final: 0.6377 (ttm-80) REVERT: Af 7 GLU cc_start: 0.7755 (OUTLIER) cc_final: 0.6951 (mt-10) REVERT: Af 28 TRP cc_start: 0.8610 (OUTLIER) cc_final: 0.7368 (p90) REVERT: Bf 13 GLU cc_start: 0.8299 (tt0) cc_final: 0.8036 (tp30) REVERT: Dg 13 GLU cc_start: 0.8580 (OUTLIER) cc_final: 0.8186 (tp30) REVERT: Dg 22 GLU cc_start: 0.7523 (OUTLIER) cc_final: 0.6875 (tm-30) REVERT: Ah 7 GLU cc_start: 0.7839 (OUTLIER) cc_final: 0.7127 (mt-10) REVERT: Ah 30 LYS cc_start: 0.8336 (OUTLIER) cc_final: 0.8047 (pmmt) REVERT: Ah 65 LYS cc_start: 0.8171 (OUTLIER) cc_final: 0.7835 (ptpp) REVERT: Bh 13 GLU cc_start: 0.8248 (tt0) cc_final: 0.7709 (tp30) REVERT: Dh 22 GLU cc_start: 0.7522 (OUTLIER) cc_final: 0.6842 (tm-30) REVERT: Ai 7 GLU cc_start: 0.7948 (OUTLIER) cc_final: 0.7415 (mt-10) REVERT: Ai 22 LYS cc_start: 0.8779 (OUTLIER) cc_final: 0.7592 (mppt) REVERT: Aj 7 GLU cc_start: 0.7814 (OUTLIER) cc_final: 0.7010 (mt-10) REVERT: Aj 22 LYS cc_start: 0.8856 (mptt) cc_final: 0.8525 (mmtt) REVERT: Aj 28 TRP cc_start: 0.8573 (OUTLIER) cc_final: 0.7328 (p90) REVERT: Ak 7 GLU cc_start: 0.7725 (OUTLIER) cc_final: 0.6916 (mt-10) REVERT: Ak 28 TRP cc_start: 0.8591 (OUTLIER) cc_final: 0.7425 (p90) REVERT: Bk 13 GLU cc_start: 0.8313 (tt0) cc_final: 0.8065 (tp30) REVERT: Dl 13 GLU cc_start: 0.8599 (OUTLIER) cc_final: 0.8214 (tp30) REVERT: Dl 22 GLU cc_start: 0.7532 (OUTLIER) cc_final: 0.6883 (tm-30) REVERT: Am 7 GLU cc_start: 0.7868 (OUTLIER) cc_final: 0.7156 (mt-10) REVERT: Am 65 LYS cc_start: 0.8215 (OUTLIER) cc_final: 0.7833 (ptpp) REVERT: Bm 13 GLU cc_start: 0.8236 (tt0) cc_final: 0.7724 (tp30) REVERT: Cm 45 TYR cc_start: 0.8467 (m-10) cc_final: 0.8203 (m-10) REVERT: Dm 22 GLU cc_start: 0.7513 (OUTLIER) cc_final: 0.6841 (tm-30) REVERT: An 7 GLU cc_start: 0.7970 (OUTLIER) cc_final: 0.7443 (mt-10) REVERT: An 22 LYS cc_start: 0.8775 (OUTLIER) cc_final: 0.7588 (mppt) REVERT: An 30 LYS cc_start: 0.8188 (OUTLIER) cc_final: 0.7759 (pmmt) REVERT: Ao 7 GLU cc_start: 0.7875 (OUTLIER) cc_final: 0.6959 (mm-30) REVERT: Ao 22 LYS cc_start: 0.8863 (mptt) cc_final: 0.8527 (mmtt) REVERT: Ao 28 TRP cc_start: 0.8568 (OUTLIER) cc_final: 0.7307 (p90) REVERT: Co 70 ARG cc_start: 0.6669 (ttm110) cc_final: 0.6373 (ttm-80) REVERT: Ap 7 GLU cc_start: 0.7745 (OUTLIER) cc_final: 0.7077 (mm-30) REVERT: Ap 28 TRP cc_start: 0.8638 (OUTLIER) cc_final: 0.7329 (p90) REVERT: Aq 4 MET cc_start: 0.7928 (mmt) cc_final: 0.7423 (mmt) REVERT: Aq 22 LYS cc_start: 0.8679 (mttt) cc_final: 0.8288 (mttt) REVERT: Aq 30 LYS cc_start: 0.8191 (OUTLIER) cc_final: 0.7976 (pmmt) REVERT: Dq 13 GLU cc_start: 0.8562 (OUTLIER) cc_final: 0.8153 (tp30) REVERT: Dq 22 GLU cc_start: 0.7565 (OUTLIER) cc_final: 0.6904 (tm-30) REVERT: Ar 7 GLU cc_start: 0.7833 (OUTLIER) cc_final: 0.7111 (mt-10) REVERT: Ar 30 LYS cc_start: 0.8312 (OUTLIER) cc_final: 0.8033 (pmmt) REVERT: Ar 65 LYS cc_start: 0.8175 (OUTLIER) cc_final: 0.7836 (ptpp) REVERT: Br 13 GLU cc_start: 0.8227 (tt0) cc_final: 0.7702 (tp30) REVERT: Dr 22 GLU cc_start: 0.7580 (OUTLIER) cc_final: 0.6916 (tm-30) REVERT: As 7 GLU cc_start: 0.7933 (OUTLIER) cc_final: 0.7384 (mt-10) REVERT: As 22 LYS cc_start: 0.8787 (OUTLIER) cc_final: 0.7557 (mppt) REVERT: At 7 GLU cc_start: 0.7891 (OUTLIER) cc_final: 0.6982 (mm-30) REVERT: At 22 LYS cc_start: 0.8868 (mptt) cc_final: 0.8532 (mmtt) REVERT: At 28 TRP cc_start: 0.8575 (OUTLIER) cc_final: 0.7301 (p90) REVERT: Ct 70 ARG cc_start: 0.6681 (ttm110) cc_final: 0.6384 (ttm-80) REVERT: Av 7 GLU cc_start: 0.7805 (OUTLIER) cc_final: 0.6930 (mt-10) REVERT: Av 28 TRP cc_start: 0.8617 (OUTLIER) cc_final: 0.7347 (p90) REVERT: Dw 13 GLU cc_start: 0.8572 (OUTLIER) cc_final: 0.8159 (tp30) REVERT: Dw 22 GLU cc_start: 0.7544 (OUTLIER) cc_final: 0.6892 (tm-30) REVERT: Ax 7 GLU cc_start: 0.7841 (OUTLIER) cc_final: 0.7108 (mt-10) REVERT: Ax 30 LYS cc_start: 0.8299 (OUTLIER) cc_final: 0.8014 (pmmt) REVERT: Ax 65 LYS cc_start: 0.8163 (OUTLIER) cc_final: 0.7852 (ptpp) REVERT: Bx 13 GLU cc_start: 0.8225 (tt0) cc_final: 0.7694 (tp30) REVERT: Dx 22 GLU cc_start: 0.7539 (OUTLIER) cc_final: 0.6868 (tm-30) REVERT: Ay 7 GLU cc_start: 0.7897 (OUTLIER) cc_final: 0.7262 (mt-10) REVERT: Ay 22 LYS cc_start: 0.8777 (OUTLIER) cc_final: 0.7559 (mppt) REVERT: Az 7 GLU cc_start: 0.7886 (OUTLIER) cc_final: 0.7005 (mt-10) REVERT: Az 22 LYS cc_start: 0.8867 (mptt) cc_final: 0.8518 (mmtt) REVERT: Az 28 TRP cc_start: 0.8551 (OUTLIER) cc_final: 0.7378 (p90) REVERT: Cz 70 ARG cc_start: 0.6669 (ttm110) cc_final: 0.6368 (ttm-80) REVERT: A0 7 GLU cc_start: 0.7739 (OUTLIER) cc_final: 0.6896 (mt-10) REVERT: A0 8 LYS cc_start: 0.8489 (OUTLIER) cc_final: 0.8188 (pttm) REVERT: A0 28 TRP cc_start: 0.8600 (OUTLIER) cc_final: 0.7422 (p90) REVERT: B0 13 GLU cc_start: 0.8307 (tt0) cc_final: 0.8039 (tp30) REVERT: D1 13 GLU cc_start: 0.8554 (OUTLIER) cc_final: 0.8156 (tp30) REVERT: D1 22 GLU cc_start: 0.7566 (OUTLIER) cc_final: 0.6908 (tm-30) REVERT: A2 7 GLU cc_start: 0.7882 (OUTLIER) cc_final: 0.7157 (mt-10) REVERT: A2 65 LYS cc_start: 0.8331 (OUTLIER) cc_final: 0.7952 (ptpp) REVERT: B2 13 GLU cc_start: 0.8231 (tt0) cc_final: 0.7701 (tp30) REVERT: C2 45 TYR cc_start: 0.8450 (m-10) cc_final: 0.8192 (m-10) REVERT: D2 22 GLU cc_start: 0.7535 (OUTLIER) cc_final: 0.6875 (tm-30) REVERT: A3 7 GLU cc_start: 0.7920 (OUTLIER) cc_final: 0.7271 (mt-10) REVERT: A3 22 LYS cc_start: 0.8767 (OUTLIER) cc_final: 0.7538 (mppt) REVERT: A4 7 GLU cc_start: 0.7894 (OUTLIER) cc_final: 0.7015 (mm-30) REVERT: A4 22 LYS cc_start: 0.8860 (mptt) cc_final: 0.8535 (mmtt) REVERT: A4 28 TRP cc_start: 0.8570 (OUTLIER) cc_final: 0.7329 (p90) REVERT: C4 70 ARG cc_start: 0.6664 (ttm110) cc_final: 0.6366 (ttm-80) REVERT: A5 7 GLU cc_start: 0.7728 (OUTLIER) cc_final: 0.6927 (mt-10) REVERT: A5 28 TRP cc_start: 0.8598 (OUTLIER) cc_final: 0.7418 (p90) REVERT: B5 13 GLU cc_start: 0.8316 (tt0) cc_final: 0.8058 (tp30) REVERT: D6 13 GLU cc_start: 0.8558 (OUTLIER) cc_final: 0.8182 (tp30) REVERT: D6 22 GLU cc_start: 0.7566 (OUTLIER) cc_final: 0.6902 (tm-30) REVERT: A7 7 GLU cc_start: 0.7832 (OUTLIER) cc_final: 0.7105 (mt-10) REVERT: A7 30 LYS cc_start: 0.8315 (OUTLIER) cc_final: 0.8030 (pmmt) REVERT: A7 65 LYS cc_start: 0.8174 (OUTLIER) cc_final: 0.7847 (ptpp) REVERT: B7 13 GLU cc_start: 0.8225 (tt0) cc_final: 0.7705 (tp30) REVERT: D7 22 GLU cc_start: 0.7536 (OUTLIER) cc_final: 0.6874 (tm-30) REVERT: A8 7 GLU cc_start: 0.7923 (OUTLIER) cc_final: 0.7439 (mt-10) REVERT: A8 22 LYS cc_start: 0.8757 (OUTLIER) cc_final: 0.7532 (mppt) REVERT: A9 7 GLU cc_start: 0.7833 (OUTLIER) cc_final: 0.7040 (mt-10) REVERT: A9 22 LYS cc_start: 0.8862 (mptt) cc_final: 0.8524 (mmtt) REVERT: A9 28 TRP cc_start: 0.8572 (OUTLIER) cc_final: 0.7326 (p90) REVERT: C9 70 ARG cc_start: 0.6674 (ttm110) cc_final: 0.6381 (ttm-80) outliers start: 340 outliers final: 95 residues processed: 3674 average time/residue: 2.8612 time to fit residues: 13978.9523 Evaluate side-chains 3763 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 241 poor density : 3522 time to evaluate : 12.165 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 7 GLU Chi-restraints excluded: chain AA residue 28 TRP Chi-restraints excluded: chain AB residue 28 TRP Chi-restraints excluded: chain DB residue 13 GLU Chi-restraints excluded: chain DB residue 22 GLU Chi-restraints excluded: chain AC residue 7 GLU Chi-restraints excluded: chain AC residue 28 TRP Chi-restraints excluded: chain AC residue 30 LYS Chi-restraints excluded: chain AC residue 35 ARG Chi-restraints excluded: chain AC residue 65 LYS Chi-restraints excluded: chain CC residue 84 VAL Chi-restraints excluded: chain DC residue 22 GLU Chi-restraints excluded: chain DC residue 66 ASP Chi-restraints excluded: chain AD residue 7 GLU Chi-restraints excluded: chain AD residue 22 LYS Chi-restraints excluded: chain AD residue 28 TRP Chi-restraints excluded: chain BD residue 25 ASP Chi-restraints excluded: chain AE residue 7 GLU Chi-restraints excluded: chain AE residue 28 TRP Chi-restraints excluded: chain AF residue 28 TRP Chi-restraints excluded: chain AG residue 7 GLU Chi-restraints excluded: chain AG residue 28 TRP Chi-restraints excluded: chain DG residue 13 GLU Chi-restraints excluded: chain DG residue 22 GLU Chi-restraints excluded: chain AH residue 7 GLU Chi-restraints excluded: chain AH residue 28 TRP Chi-restraints excluded: chain AH residue 30 LYS Chi-restraints excluded: chain AH residue 65 LYS Chi-restraints excluded: chain DH residue 22 GLU Chi-restraints excluded: chain DH residue 38 ARG Chi-restraints excluded: chain DH residue 66 ASP Chi-restraints excluded: chain AI residue 7 GLU Chi-restraints excluded: chain AI residue 22 LYS Chi-restraints excluded: chain AI residue 28 TRP Chi-restraints excluded: chain BI residue 25 ASP Chi-restraints excluded: chain AJ residue 7 GLU Chi-restraints excluded: chain AJ residue 28 TRP Chi-restraints excluded: chain AK residue 7 GLU Chi-restraints excluded: chain AK residue 28 TRP Chi-restraints excluded: chain AL residue 28 TRP Chi-restraints excluded: chain DL residue 13 GLU Chi-restraints excluded: chain DL residue 22 GLU Chi-restraints excluded: chain AM residue 7 GLU Chi-restraints excluded: chain AM residue 28 TRP Chi-restraints excluded: chain AM residue 30 LYS Chi-restraints excluded: chain AM residue 65 LYS Chi-restraints excluded: chain DM residue 22 GLU Chi-restraints excluded: chain DM residue 66 ASP Chi-restraints excluded: chain AN residue 7 GLU Chi-restraints excluded: chain AN residue 22 LYS Chi-restraints excluded: chain AN residue 28 TRP Chi-restraints excluded: chain BN residue 25 ASP Chi-restraints excluded: chain DN residue 86 SER Chi-restraints excluded: chain AO residue 7 GLU Chi-restraints excluded: chain AO residue 28 TRP Chi-restraints excluded: chain CO residue 88 VAL Chi-restraints excluded: chain AP residue 7 GLU Chi-restraints excluded: chain AP residue 8 LYS Chi-restraints excluded: chain AP residue 28 TRP Chi-restraints excluded: chain AQ residue 28 TRP Chi-restraints excluded: chain DQ residue 13 GLU Chi-restraints excluded: chain DQ residue 22 GLU Chi-restraints excluded: chain AR residue 7 GLU Chi-restraints excluded: chain AR residue 28 TRP Chi-restraints excluded: chain AR residue 65 LYS Chi-restraints excluded: chain CR residue 84 VAL Chi-restraints excluded: chain DR residue 22 GLU Chi-restraints excluded: chain DR residue 66 ASP Chi-restraints excluded: chain AS residue 7 GLU Chi-restraints excluded: chain AS residue 22 LYS Chi-restraints excluded: chain AS residue 28 TRP Chi-restraints excluded: chain BS residue 25 ASP Chi-restraints excluded: chain AT residue 7 GLU Chi-restraints excluded: chain AT residue 28 TRP Chi-restraints excluded: chain CT residue 88 VAL Chi-restraints excluded: chain AV residue 28 TRP Chi-restraints excluded: chain AW residue 28 TRP Chi-restraints excluded: chain DW residue 13 GLU Chi-restraints excluded: chain DW residue 22 GLU Chi-restraints excluded: chain AX residue 7 GLU Chi-restraints excluded: chain AX residue 28 TRP Chi-restraints excluded: chain AX residue 30 LYS Chi-restraints excluded: chain AX residue 35 ARG Chi-restraints excluded: chain AX residue 65 LYS Chi-restraints excluded: chain DX residue 22 GLU Chi-restraints excluded: chain DX residue 66 ASP Chi-restraints excluded: chain AY residue 7 GLU Chi-restraints excluded: chain AY residue 22 LYS Chi-restraints excluded: chain AY residue 28 TRP Chi-restraints excluded: chain BY residue 25 ASP Chi-restraints excluded: chain DY residue 86 SER Chi-restraints excluded: chain AZ residue 7 GLU Chi-restraints excluded: chain AZ residue 28 TRP Chi-restraints excluded: chain CZ residue 88 VAL Chi-restraints excluded: chain Aa residue 7 GLU Chi-restraints excluded: chain Aa residue 28 TRP Chi-restraints excluded: chain Ab residue 7 GLU Chi-restraints excluded: chain Ab residue 65 LYS Chi-restraints excluded: chain Db residue 13 GLU Chi-restraints excluded: chain Db residue 22 GLU Chi-restraints excluded: chain Ac residue 7 GLU Chi-restraints excluded: chain Ac residue 28 TRP Chi-restraints excluded: chain Ac residue 30 LYS Chi-restraints excluded: chain Ac residue 65 LYS Chi-restraints excluded: chain Cc residue 84 VAL Chi-restraints excluded: chain Dc residue 22 GLU Chi-restraints excluded: chain Dc residue 66 ASP Chi-restraints excluded: chain Ad residue 7 GLU Chi-restraints excluded: chain Ad residue 22 LYS Chi-restraints excluded: chain Ad residue 28 TRP Chi-restraints excluded: chain Bd residue 25 ASP Chi-restraints excluded: chain Dd residue 86 SER Chi-restraints excluded: chain Ae residue 7 GLU Chi-restraints excluded: chain Ae residue 28 TRP Chi-restraints excluded: chain Ce residue 88 VAL Chi-restraints excluded: chain Af residue 7 GLU Chi-restraints excluded: chain Af residue 28 TRP Chi-restraints excluded: chain Ag residue 28 TRP Chi-restraints excluded: chain Dg residue 13 GLU Chi-restraints excluded: chain Dg residue 22 GLU Chi-restraints excluded: chain Ah residue 7 GLU Chi-restraints excluded: chain Ah residue 28 TRP Chi-restraints excluded: chain Ah residue 30 LYS Chi-restraints excluded: chain Ah residue 35 ARG Chi-restraints excluded: chain Ah residue 65 LYS Chi-restraints excluded: chain Dh residue 22 GLU Chi-restraints excluded: chain Dh residue 66 ASP Chi-restraints excluded: chain Ai residue 7 GLU Chi-restraints excluded: chain Ai residue 22 LYS Chi-restraints excluded: chain Ai residue 28 TRP Chi-restraints excluded: chain Bi residue 25 ASP Chi-restraints excluded: chain Di residue 86 SER Chi-restraints excluded: chain Aj residue 7 GLU Chi-restraints excluded: chain Aj residue 28 TRP Chi-restraints excluded: chain Cj residue 70 ARG Chi-restraints excluded: chain Cj residue 88 VAL Chi-restraints excluded: chain Ak residue 2 LYS Chi-restraints excluded: chain Ak residue 7 GLU Chi-restraints excluded: chain Ak residue 28 TRP Chi-restraints excluded: chain Al residue 28 TRP Chi-restraints excluded: chain Dl residue 13 GLU Chi-restraints excluded: chain Dl residue 22 GLU Chi-restraints excluded: chain Am residue 7 GLU Chi-restraints excluded: chain Am residue 28 TRP Chi-restraints excluded: chain Am residue 35 ARG Chi-restraints excluded: chain Am residue 65 LYS Chi-restraints excluded: chain Cm residue 84 VAL Chi-restraints excluded: chain Dm residue 22 GLU Chi-restraints excluded: chain Dm residue 66 ASP Chi-restraints excluded: chain An residue 7 GLU Chi-restraints excluded: chain An residue 22 LYS Chi-restraints excluded: chain An residue 28 TRP Chi-restraints excluded: chain An residue 30 LYS Chi-restraints excluded: chain Bn residue 25 ASP Chi-restraints excluded: chain Dn residue 86 SER Chi-restraints excluded: chain Ao residue 7 GLU Chi-restraints excluded: chain Ao residue 28 TRP Chi-restraints excluded: chain Co residue 88 VAL Chi-restraints excluded: chain Ap residue 2 LYS Chi-restraints excluded: chain Ap residue 7 GLU Chi-restraints excluded: chain Ap residue 28 TRP Chi-restraints excluded: chain Aq residue 28 TRP Chi-restraints excluded: chain Aq residue 30 LYS Chi-restraints excluded: chain Dq residue 13 GLU Chi-restraints excluded: chain Dq residue 22 GLU Chi-restraints excluded: chain Ar residue 7 GLU Chi-restraints excluded: chain Ar residue 28 TRP Chi-restraints excluded: chain Ar residue 30 LYS Chi-restraints excluded: chain Ar residue 35 ARG Chi-restraints excluded: chain Ar residue 65 LYS Chi-restraints excluded: chain Dr residue 22 GLU Chi-restraints excluded: chain Dr residue 66 ASP Chi-restraints excluded: chain As residue 7 GLU Chi-restraints excluded: chain As residue 22 LYS Chi-restraints excluded: chain As residue 28 TRP Chi-restraints excluded: chain Bs residue 25 ASP Chi-restraints excluded: chain Ds residue 86 SER Chi-restraints excluded: chain At residue 7 GLU Chi-restraints excluded: chain At residue 28 TRP Chi-restraints excluded: chain Ct residue 88 VAL Chi-restraints excluded: chain Av residue 2 LYS Chi-restraints excluded: chain Av residue 7 GLU Chi-restraints excluded: chain Av residue 19 MET Chi-restraints excluded: chain Av residue 28 TRP Chi-restraints excluded: chain Aw residue 28 TRP Chi-restraints excluded: chain Dw residue 13 GLU Chi-restraints excluded: chain Dw residue 22 GLU Chi-restraints excluded: chain Ax residue 7 GLU Chi-restraints excluded: chain Ax residue 28 TRP Chi-restraints excluded: chain Ax residue 30 LYS Chi-restraints excluded: chain Ax residue 35 ARG Chi-restraints excluded: chain Ax residue 65 LYS Chi-restraints excluded: chain Cx residue 84 VAL Chi-restraints excluded: chain Dx residue 22 GLU Chi-restraints excluded: chain Dx residue 38 ARG Chi-restraints excluded: chain Dx residue 66 ASP Chi-restraints excluded: chain Ay residue 7 GLU Chi-restraints excluded: chain Ay residue 22 LYS Chi-restraints excluded: chain Ay residue 28 TRP Chi-restraints excluded: chain By residue 25 ASP Chi-restraints excluded: chain Az residue 7 GLU Chi-restraints excluded: chain Az residue 28 TRP Chi-restraints excluded: chain Cz residue 88 VAL Chi-restraints excluded: chain A0 residue 7 GLU Chi-restraints excluded: chain A0 residue 8 LYS Chi-restraints excluded: chain A0 residue 28 TRP Chi-restraints excluded: chain A1 residue 28 TRP Chi-restraints excluded: chain D1 residue 13 GLU Chi-restraints excluded: chain D1 residue 22 GLU Chi-restraints excluded: chain A2 residue 7 GLU Chi-restraints excluded: chain A2 residue 28 TRP Chi-restraints excluded: chain A2 residue 65 LYS Chi-restraints excluded: chain C2 residue 84 VAL Chi-restraints excluded: chain D2 residue 22 GLU Chi-restraints excluded: chain D2 residue 66 ASP Chi-restraints excluded: chain A3 residue 7 GLU Chi-restraints excluded: chain A3 residue 22 LYS Chi-restraints excluded: chain A3 residue 28 TRP Chi-restraints excluded: chain B3 residue 25 ASP Chi-restraints excluded: chain A4 residue 7 GLU Chi-restraints excluded: chain A4 residue 28 TRP Chi-restraints excluded: chain C4 residue 88 VAL Chi-restraints excluded: chain A5 residue 7 GLU Chi-restraints excluded: chain A5 residue 28 TRP Chi-restraints excluded: chain A6 residue 28 TRP Chi-restraints excluded: chain D6 residue 13 GLU Chi-restraints excluded: chain D6 residue 22 GLU Chi-restraints excluded: chain A7 residue 7 GLU Chi-restraints excluded: chain A7 residue 28 TRP Chi-restraints excluded: chain A7 residue 30 LYS Chi-restraints excluded: chain A7 residue 35 ARG Chi-restraints excluded: chain A7 residue 65 LYS Chi-restraints excluded: chain C7 residue 84 VAL Chi-restraints excluded: chain D7 residue 22 GLU Chi-restraints excluded: chain D7 residue 66 ASP Chi-restraints excluded: chain A8 residue 7 GLU Chi-restraints excluded: chain A8 residue 22 LYS Chi-restraints excluded: chain A8 residue 28 TRP Chi-restraints excluded: chain B8 residue 25 ASP Chi-restraints excluded: chain A9 residue 7 GLU Chi-restraints excluded: chain A9 residue 28 TRP Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 968 optimal weight: 6.9990 chunk 541 optimal weight: 20.0000 chunk 1451 optimal weight: 6.9990 chunk 1187 optimal weight: 0.7980 chunk 480 optimal weight: 20.0000 chunk 1746 optimal weight: 10.0000 chunk 1886 optimal weight: 30.0000 chunk 1555 optimal weight: 20.0000 chunk 1732 optimal weight: 20.0000 chunk 595 optimal weight: 6.9990 chunk 1401 optimal weight: 10.0000 overall best weight: 6.3590 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: CF 90 ASN BN 85 HIS BR 58 ASN BX 58 ASN Bn 85 HIS Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8402 moved from start: 0.1261 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.040 151920 Z= 0.291 Angle : 0.660 7.322 205800 Z= 0.347 Chirality : 0.046 0.140 24900 Planarity : 0.004 0.033 26760 Dihedral : 4.985 20.281 22260 Min Nonbonded Distance : 2.105 Molprobity Statistics. All-atom Clashscore : 5.34 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.10 % Favored : 97.90 % Rotamer: Outliers : 3.21 % Allowed : 18.21 % Favored : 78.59 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.49 (0.06), residues: 20340 helix: 0.75 (0.06), residues: 6240 sheet: 0.87 (0.07), residues: 6180 loop : -0.36 (0.07), residues: 7920 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.047 0.004 TRPAg 28 HIS 0.004 0.001 HISB4 79 PHE 0.008 0.001 PHEDO 40 TYR 0.011 0.002 TYRCG 45 ARG 0.005 0.000 ARGAz 59 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4124 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 477 poor density : 3647 time to evaluate : 12.307 Fit side-chains REVERT: AA 7 GLU cc_start: 0.7728 (OUTLIER) cc_final: 0.6924 (mt-10) REVERT: AA 8 LYS cc_start: 0.8464 (OUTLIER) cc_final: 0.8234 (pttm) REVERT: AA 28 TRP cc_start: 0.8622 (OUTLIER) cc_final: 0.7389 (p90) REVERT: BA 13 GLU cc_start: 0.8340 (tt0) cc_final: 0.8104 (tp30) REVERT: BA 70 ARG cc_start: 0.7130 (OUTLIER) cc_final: 0.6724 (mtp180) REVERT: AB 1 MET cc_start: 0.8755 (mpp) cc_final: 0.8554 (mpt) REVERT: DB 13 GLU cc_start: 0.8577 (OUTLIER) cc_final: 0.8180 (tp30) REVERT: DB 22 GLU cc_start: 0.7585 (OUTLIER) cc_final: 0.6934 (tm-30) REVERT: AC 7 GLU cc_start: 0.7885 (OUTLIER) cc_final: 0.7155 (mt-10) REVERT: AC 30 LYS cc_start: 0.8276 (OUTLIER) cc_final: 0.7903 (pmmt) REVERT: AC 65 LYS cc_start: 0.8272 (OUTLIER) cc_final: 0.7919 (ptpp) REVERT: BC 83 ARG cc_start: 0.7959 (OUTLIER) cc_final: 0.7648 (ptt90) REVERT: DC 22 GLU cc_start: 0.7530 (OUTLIER) cc_final: 0.6830 (tm-30) REVERT: AD 7 GLU cc_start: 0.7931 (OUTLIER) cc_final: 0.7270 (mt-10) REVERT: AD 22 LYS cc_start: 0.8794 (OUTLIER) cc_final: 0.7533 (mppt) REVERT: AE 7 GLU cc_start: 0.7836 (OUTLIER) cc_final: 0.7032 (mt-10) REVERT: AE 22 LYS cc_start: 0.8902 (mptt) cc_final: 0.8565 (mmtt) REVERT: AE 28 TRP cc_start: 0.8595 (OUTLIER) cc_final: 0.7361 (p90) REVERT: AE 65 LYS cc_start: 0.8377 (OUTLIER) cc_final: 0.7989 (ptpp) REVERT: DE 22 GLU cc_start: 0.7585 (OUTLIER) cc_final: 0.7119 (tp30) REVERT: DE 69 GLU cc_start: 0.6751 (OUTLIER) cc_final: 0.6467 (pt0) REVERT: AF 7 GLU cc_start: 0.7914 (OUTLIER) cc_final: 0.7117 (mm-30) REVERT: AF 8 LYS cc_start: 0.8497 (OUTLIER) cc_final: 0.8257 (pttm) REVERT: AF 28 TRP cc_start: 0.8626 (OUTLIER) cc_final: 0.7154 (p90) REVERT: BF 13 GLU cc_start: 0.8329 (tt0) cc_final: 0.8047 (tp30) REVERT: BF 70 ARG cc_start: 0.7115 (OUTLIER) cc_final: 0.6713 (mtp180) REVERT: BF 83 ARG cc_start: 0.8076 (ptt90) cc_final: 0.7792 (ptt180) REVERT: AG 1 MET cc_start: 0.8750 (mpp) cc_final: 0.8548 (mpt) REVERT: AG 30 LYS cc_start: 0.8243 (OUTLIER) cc_final: 0.7699 (pmmt) REVERT: BG 83 ARG cc_start: 0.7906 (ptt180) cc_final: 0.7703 (ptt180) REVERT: DG 13 GLU cc_start: 0.8570 (OUTLIER) cc_final: 0.8163 (tp30) REVERT: DG 22 GLU cc_start: 0.7587 (OUTLIER) cc_final: 0.6930 (tm-30) REVERT: AH 7 GLU cc_start: 0.7871 (OUTLIER) cc_final: 0.7105 (mt-10) REVERT: AH 30 LYS cc_start: 0.8248 (OUTLIER) cc_final: 0.7880 (pmmt) REVERT: AH 65 LYS cc_start: 0.8235 (OUTLIER) cc_final: 0.7879 (ptpp) REVERT: BH 83 ARG cc_start: 0.7969 (OUTLIER) cc_final: 0.7659 (ptt90) REVERT: DH 22 GLU cc_start: 0.7531 (OUTLIER) cc_final: 0.6833 (tm-30) REVERT: AI 7 GLU cc_start: 0.7959 (OUTLIER) cc_final: 0.7326 (mt-10) REVERT: AI 22 LYS cc_start: 0.8792 (OUTLIER) cc_final: 0.7537 (mppt) REVERT: AJ 7 GLU cc_start: 0.7841 (OUTLIER) cc_final: 0.7036 (mt-10) REVERT: AJ 22 LYS cc_start: 0.8892 (mptt) cc_final: 0.8561 (mmtt) REVERT: AJ 28 TRP cc_start: 0.8596 (OUTLIER) cc_final: 0.7372 (p90) REVERT: AJ 65 LYS cc_start: 0.8378 (OUTLIER) cc_final: 0.7991 (ptpp) REVERT: DJ 22 GLU cc_start: 0.7579 (OUTLIER) cc_final: 0.7118 (tp30) REVERT: AK 7 GLU cc_start: 0.7762 (OUTLIER) cc_final: 0.6986 (mm-30) REVERT: AK 8 LYS cc_start: 0.8471 (OUTLIER) cc_final: 0.8235 (pttm) REVERT: AK 28 TRP cc_start: 0.8599 (OUTLIER) cc_final: 0.7156 (p90) REVERT: BK 13 GLU cc_start: 0.8327 (tt0) cc_final: 0.8048 (tp30) REVERT: BK 70 ARG cc_start: 0.7128 (OUTLIER) cc_final: 0.6719 (mtp180) REVERT: BK 83 ARG cc_start: 0.8078 (ptt90) cc_final: 0.7790 (ptt180) REVERT: AL 30 LYS cc_start: 0.8246 (OUTLIER) cc_final: 0.7703 (pmmt) REVERT: DL 13 GLU cc_start: 0.8575 (OUTLIER) cc_final: 0.8175 (tp30) REVERT: DL 22 GLU cc_start: 0.7588 (OUTLIER) cc_final: 0.6935 (tm-30) REVERT: AM 7 GLU cc_start: 0.7940 (OUTLIER) cc_final: 0.7215 (mt-10) REVERT: AM 65 LYS cc_start: 0.8253 (OUTLIER) cc_final: 0.7899 (ptpp) REVERT: BM 83 ARG cc_start: 0.7970 (OUTLIER) cc_final: 0.7627 (ptt90) REVERT: DM 22 GLU cc_start: 0.7538 (OUTLIER) cc_final: 0.6831 (tm-30) REVERT: AN 7 GLU cc_start: 0.7955 (OUTLIER) cc_final: 0.7305 (mt-10) REVERT: AN 22 LYS cc_start: 0.8788 (OUTLIER) cc_final: 0.7537 (mppt) REVERT: AO 7 GLU cc_start: 0.7837 (OUTLIER) cc_final: 0.7035 (mt-10) REVERT: AO 22 LYS cc_start: 0.8891 (mptt) cc_final: 0.8562 (mmtt) REVERT: AO 28 TRP cc_start: 0.8594 (OUTLIER) cc_final: 0.7360 (p90) REVERT: AO 65 LYS cc_start: 0.8382 (OUTLIER) cc_final: 0.7994 (ptpp) REVERT: DO 22 GLU cc_start: 0.7586 (OUTLIER) cc_final: 0.7120 (tp30) REVERT: DO 69 GLU cc_start: 0.6751 (OUTLIER) cc_final: 0.6464 (pt0) REVERT: AP 8 LYS cc_start: 0.8515 (OUTLIER) cc_final: 0.8234 (pttm) REVERT: AP 28 TRP cc_start: 0.8622 (OUTLIER) cc_final: 0.7666 (p90) REVERT: BP 13 GLU cc_start: 0.8376 (tt0) cc_final: 0.8130 (tp30) REVERT: BP 70 ARG cc_start: 0.7131 (OUTLIER) cc_final: 0.6726 (mtp180) REVERT: AQ 1 MET cc_start: 0.8753 (mpp) cc_final: 0.8553 (mpt) REVERT: AQ 30 LYS cc_start: 0.8251 (OUTLIER) cc_final: 0.7799 (pmmt) REVERT: BQ 83 ARG cc_start: 0.7891 (ptt180) cc_final: 0.7686 (ptt180) REVERT: DQ 13 GLU cc_start: 0.8599 (OUTLIER) cc_final: 0.8196 (tp30) REVERT: DQ 22 GLU cc_start: 0.7555 (OUTLIER) cc_final: 0.6926 (tm-30) REVERT: AR 7 GLU cc_start: 0.7909 (OUTLIER) cc_final: 0.7149 (mt-10) REVERT: AR 65 LYS cc_start: 0.8258 (OUTLIER) cc_final: 0.7861 (ptpp) REVERT: DR 22 GLU cc_start: 0.7522 (OUTLIER) cc_final: 0.6842 (tm-30) REVERT: AS 7 GLU cc_start: 0.7926 (OUTLIER) cc_final: 0.7266 (mt-10) REVERT: AS 22 LYS cc_start: 0.8785 (OUTLIER) cc_final: 0.7500 (mppt) REVERT: AT 7 GLU cc_start: 0.7841 (OUTLIER) cc_final: 0.7031 (mt-10) REVERT: AT 22 LYS cc_start: 0.8897 (mptt) cc_final: 0.8560 (mmtt) REVERT: AT 28 TRP cc_start: 0.8596 (OUTLIER) cc_final: 0.7361 (p90) REVERT: AT 65 LYS cc_start: 0.8375 (OUTLIER) cc_final: 0.7985 (ptpp) REVERT: DT 22 GLU cc_start: 0.7584 (OUTLIER) cc_final: 0.7117 (tp30) REVERT: AV 7 GLU cc_start: 0.7944 (OUTLIER) cc_final: 0.7127 (mm-30) REVERT: AV 28 TRP cc_start: 0.8629 (OUTLIER) cc_final: 0.7161 (p90) REVERT: BV 13 GLU cc_start: 0.8312 (tt0) cc_final: 0.8102 (tp30) REVERT: BV 70 ARG cc_start: 0.7122 (OUTLIER) cc_final: 0.6724 (mtp180) REVERT: AW 1 MET cc_start: 0.8757 (mpp) cc_final: 0.8547 (mpt) REVERT: AW 30 LYS cc_start: 0.8240 (OUTLIER) cc_final: 0.7704 (pmmt) REVERT: DW 13 GLU cc_start: 0.8623 (OUTLIER) cc_final: 0.8212 (tp30) REVERT: DW 22 GLU cc_start: 0.7532 (OUTLIER) cc_final: 0.6886 (tm-30) REVERT: AX 7 GLU cc_start: 0.7871 (OUTLIER) cc_final: 0.7154 (mt-10) REVERT: AX 30 LYS cc_start: 0.8293 (OUTLIER) cc_final: 0.7936 (pmmt) REVERT: AX 65 LYS cc_start: 0.8276 (OUTLIER) cc_final: 0.7928 (ptpp) REVERT: BX 83 ARG cc_start: 0.8007 (OUTLIER) cc_final: 0.7674 (ptt90) REVERT: DX 22 GLU cc_start: 0.7510 (OUTLIER) cc_final: 0.6793 (tm-30) REVERT: AY 7 GLU cc_start: 0.7975 (OUTLIER) cc_final: 0.7309 (mt-10) REVERT: AY 22 LYS cc_start: 0.8767 (OUTLIER) cc_final: 0.7553 (mppt) REVERT: AZ 7 GLU cc_start: 0.7828 (OUTLIER) cc_final: 0.7036 (mt-10) REVERT: AZ 22 LYS cc_start: 0.8883 (mptt) cc_final: 0.8542 (mmtt) REVERT: AZ 28 TRP cc_start: 0.8604 (OUTLIER) cc_final: 0.7373 (p90) REVERT: AZ 65 LYS cc_start: 0.8382 (OUTLIER) cc_final: 0.7979 (ptpp) REVERT: DZ 22 GLU cc_start: 0.7596 (OUTLIER) cc_final: 0.7148 (tp30) REVERT: DZ 69 GLU cc_start: 0.6769 (OUTLIER) cc_final: 0.6488 (pt0) REVERT: Aa 7 GLU cc_start: 0.7707 (OUTLIER) cc_final: 0.6900 (mt-10) REVERT: Aa 8 LYS cc_start: 0.8457 (OUTLIER) cc_final: 0.8223 (pttm) REVERT: Aa 28 TRP cc_start: 0.8610 (OUTLIER) cc_final: 0.7393 (p90) REVERT: Ba 13 GLU cc_start: 0.8349 (tt0) cc_final: 0.8102 (tp30) REVERT: Ba 70 ARG cc_start: 0.7126 (OUTLIER) cc_final: 0.6730 (mtp180) REVERT: Ab 7 GLU cc_start: 0.7812 (OUTLIER) cc_final: 0.7055 (mt-10) REVERT: Ab 22 LYS cc_start: 0.8604 (mttp) cc_final: 0.8310 (mttt) REVERT: Ab 65 LYS cc_start: 0.8277 (OUTLIER) cc_final: 0.7831 (ptpp) REVERT: Bb 83 ARG cc_start: 0.7889 (ptt180) cc_final: 0.7679 (ptt180) REVERT: Db 13 GLU cc_start: 0.8593 (OUTLIER) cc_final: 0.8192 (tp30) REVERT: Db 22 GLU cc_start: 0.7565 (OUTLIER) cc_final: 0.6903 (tm-30) REVERT: Ac 7 GLU cc_start: 0.7889 (OUTLIER) cc_final: 0.7186 (mt-10) REVERT: Ac 30 LYS cc_start: 0.8278 (OUTLIER) cc_final: 0.7899 (pmmt) REVERT: Ac 65 LYS cc_start: 0.8266 (OUTLIER) cc_final: 0.7869 (ptpp) REVERT: Dc 22 GLU cc_start: 0.7520 (OUTLIER) cc_final: 0.6813 (tm-30) REVERT: Ad 7 GLU cc_start: 0.8015 (OUTLIER) cc_final: 0.7294 (mt-10) REVERT: Ad 22 LYS cc_start: 0.8780 (OUTLIER) cc_final: 0.7557 (mppt) REVERT: Ae 7 GLU cc_start: 0.7867 (OUTLIER) cc_final: 0.6899 (mm-30) REVERT: Ae 22 LYS cc_start: 0.8884 (mptt) cc_final: 0.8545 (mmtt) REVERT: Ae 28 TRP cc_start: 0.8600 (OUTLIER) cc_final: 0.7294 (p90) REVERT: Ae 65 LYS cc_start: 0.8383 (OUTLIER) cc_final: 0.7994 (ptpp) REVERT: De 22 GLU cc_start: 0.7584 (OUTLIER) cc_final: 0.7123 (tp30) REVERT: Af 7 GLU cc_start: 0.7774 (OUTLIER) cc_final: 0.6986 (mt-10) REVERT: Af 28 TRP cc_start: 0.8632 (OUTLIER) cc_final: 0.7312 (p90) REVERT: Bf 13 GLU cc_start: 0.8310 (tt0) cc_final: 0.8030 (tp30) REVERT: Bf 70 ARG cc_start: 0.7123 (OUTLIER) cc_final: 0.6723 (mtp180) REVERT: Ag 1 MET cc_start: 0.8752 (mpp) cc_final: 0.8535 (mpt) REVERT: Ag 30 LYS cc_start: 0.8251 (OUTLIER) cc_final: 0.7712 (pmmt) REVERT: Bg 83 ARG cc_start: 0.7879 (ptt180) cc_final: 0.7666 (ptt180) REVERT: Dg 13 GLU cc_start: 0.8598 (OUTLIER) cc_final: 0.8190 (tp30) REVERT: Dg 22 GLU cc_start: 0.7525 (OUTLIER) cc_final: 0.6898 (tm-30) REVERT: Ah 7 GLU cc_start: 0.7864 (OUTLIER) cc_final: 0.7152 (mt-10) REVERT: Ah 30 LYS cc_start: 0.8301 (OUTLIER) cc_final: 0.7933 (pmmt) REVERT: Ah 65 LYS cc_start: 0.8279 (OUTLIER) cc_final: 0.7928 (ptpp) REVERT: Bh 83 ARG cc_start: 0.7997 (OUTLIER) cc_final: 0.7657 (ptt90) REVERT: Dh 22 GLU cc_start: 0.7523 (OUTLIER) cc_final: 0.6798 (tm-30) REVERT: Ai 7 GLU cc_start: 0.7969 (OUTLIER) cc_final: 0.7316 (mt-10) REVERT: Ai 22 LYS cc_start: 0.8771 (OUTLIER) cc_final: 0.7572 (mppt) REVERT: Aj 7 GLU cc_start: 0.7830 (OUTLIER) cc_final: 0.7025 (mt-10) REVERT: Aj 22 LYS cc_start: 0.8879 (mptt) cc_final: 0.8544 (mmtt) REVERT: Aj 28 TRP cc_start: 0.8599 (OUTLIER) cc_final: 0.7371 (p90) REVERT: Aj 65 LYS cc_start: 0.8388 (OUTLIER) cc_final: 0.8001 (ptpp) REVERT: Dj 22 GLU cc_start: 0.7588 (OUTLIER) cc_final: 0.7137 (tp30) REVERT: Ak 7 GLU cc_start: 0.7742 (OUTLIER) cc_final: 0.6953 (mt-10) REVERT: Ak 28 TRP cc_start: 0.8602 (OUTLIER) cc_final: 0.7384 (p90) REVERT: Bk 13 GLU cc_start: 0.8318 (tt0) cc_final: 0.8096 (tp30) REVERT: Bk 70 ARG cc_start: 0.7138 (OUTLIER) cc_final: 0.6735 (mtp180) REVERT: Al 1 MET cc_start: 0.8752 (mpp) cc_final: 0.8540 (mpt) REVERT: Al 7 GLU cc_start: 0.7854 (OUTLIER) cc_final: 0.6897 (mt-10) REVERT: Bl 83 ARG cc_start: 0.7860 (ptt180) cc_final: 0.7654 (ptt180) REVERT: Dl 13 GLU cc_start: 0.8599 (OUTLIER) cc_final: 0.8193 (tp30) REVERT: Dl 22 GLU cc_start: 0.7531 (OUTLIER) cc_final: 0.6903 (tm-30) REVERT: Am 7 GLU cc_start: 0.7869 (OUTLIER) cc_final: 0.7165 (mt-10) REVERT: Am 65 LYS cc_start: 0.8251 (OUTLIER) cc_final: 0.7901 (ptpp) REVERT: Dm 22 GLU cc_start: 0.7524 (OUTLIER) cc_final: 0.6817 (tm-30) REVERT: An 7 GLU cc_start: 0.7969 (OUTLIER) cc_final: 0.7296 (mt-10) REVERT: An 22 LYS cc_start: 0.8764 (OUTLIER) cc_final: 0.7540 (mppt) REVERT: An 30 LYS cc_start: 0.8178 (OUTLIER) cc_final: 0.7737 (pmmt) REVERT: Ao 7 GLU cc_start: 0.7895 (OUTLIER) cc_final: 0.6936 (mm-30) REVERT: Ao 22 LYS cc_start: 0.8885 (mptt) cc_final: 0.8545 (mmtt) REVERT: Ao 28 TRP cc_start: 0.8601 (OUTLIER) cc_final: 0.7295 (p90) REVERT: Ao 65 LYS cc_start: 0.8385 (OUTLIER) cc_final: 0.7991 (ptpp) REVERT: Do 22 GLU cc_start: 0.7584 (OUTLIER) cc_final: 0.7129 (tp30) REVERT: Ap 7 GLU cc_start: 0.7763 (OUTLIER) cc_final: 0.6994 (mm-30) REVERT: Ap 28 TRP cc_start: 0.8632 (OUTLIER) cc_final: 0.7199 (p90) REVERT: Bp 13 GLU cc_start: 0.8361 (tt0) cc_final: 0.8110 (tp30) REVERT: Bp 70 ARG cc_start: 0.7132 (OUTLIER) cc_final: 0.6740 (mtp180) REVERT: Aq 65 LYS cc_start: 0.8336 (OUTLIER) cc_final: 0.7902 (ptpp) REVERT: Bq 83 ARG cc_start: 0.7874 (ptt180) cc_final: 0.7668 (ptt180) REVERT: Dq 13 GLU cc_start: 0.8589 (OUTLIER) cc_final: 0.8186 (tp30) REVERT: Dq 22 GLU cc_start: 0.7559 (OUTLIER) cc_final: 0.6912 (tm-30) REVERT: Ar 7 GLU cc_start: 0.7864 (OUTLIER) cc_final: 0.7136 (mt-10) REVERT: Ar 30 LYS cc_start: 0.8279 (OUTLIER) cc_final: 0.7925 (pmmt) REVERT: Ar 65 LYS cc_start: 0.8284 (OUTLIER) cc_final: 0.7925 (ptpp) REVERT: Br 83 ARG cc_start: 0.8001 (OUTLIER) cc_final: 0.7683 (ptt90) REVERT: Dr 22 GLU cc_start: 0.7550 (OUTLIER) cc_final: 0.6845 (tm-30) REVERT: As 7 GLU cc_start: 0.7968 (OUTLIER) cc_final: 0.7292 (mt-10) REVERT: As 22 LYS cc_start: 0.8763 (OUTLIER) cc_final: 0.7467 (mppt) REVERT: At 7 GLU cc_start: 0.7887 (OUTLIER) cc_final: 0.6921 (mm-30) REVERT: At 22 LYS cc_start: 0.8893 (mptt) cc_final: 0.8553 (mmtt) REVERT: At 28 TRP cc_start: 0.8599 (OUTLIER) cc_final: 0.7287 (p90) REVERT: At 65 LYS cc_start: 0.8376 (OUTLIER) cc_final: 0.7997 (ptpp) REVERT: Dt 22 GLU cc_start: 0.7586 (OUTLIER) cc_final: 0.7116 (tp30) REVERT: Av 7 GLU cc_start: 0.7841 (OUTLIER) cc_final: 0.6981 (mt-10) REVERT: Av 28 TRP cc_start: 0.8617 (OUTLIER) cc_final: 0.7311 (p90) REVERT: Bv 13 GLU cc_start: 0.8359 (tt0) cc_final: 0.8114 (tp30) REVERT: Bv 70 ARG cc_start: 0.7132 (OUTLIER) cc_final: 0.6739 (mtp180) REVERT: Aw 30 LYS cc_start: 0.8265 (OUTLIER) cc_final: 0.7719 (pmmt) REVERT: Bw 83 ARG cc_start: 0.7874 (ptt180) cc_final: 0.7664 (ptt180) REVERT: Dw 13 GLU cc_start: 0.8623 (OUTLIER) cc_final: 0.8215 (tp30) REVERT: Dw 22 GLU cc_start: 0.7542 (OUTLIER) cc_final: 0.6905 (tm-30) REVERT: Ax 7 GLU cc_start: 0.7842 (OUTLIER) cc_final: 0.7109 (mt-10) REVERT: Ax 30 LYS cc_start: 0.8264 (OUTLIER) cc_final: 0.7898 (pmmt) REVERT: Ax 65 LYS cc_start: 0.8273 (OUTLIER) cc_final: 0.7918 (ptpp) REVERT: Bx 83 ARG cc_start: 0.8010 (OUTLIER) cc_final: 0.7696 (ptt90) REVERT: Dx 22 GLU cc_start: 0.7542 (OUTLIER) cc_final: 0.6846 (tm-30) REVERT: Ay 7 GLU cc_start: 0.7948 (OUTLIER) cc_final: 0.7208 (mt-10) REVERT: Ay 22 LYS cc_start: 0.8775 (OUTLIER) cc_final: 0.7530 (mppt) REVERT: Az 7 GLU cc_start: 0.7856 (OUTLIER) cc_final: 0.6941 (mm-30) REVERT: Az 22 LYS cc_start: 0.8893 (mptt) cc_final: 0.8523 (mmtp) REVERT: Az 28 TRP cc_start: 0.8598 (OUTLIER) cc_final: 0.7375 (p90) REVERT: Dz 22 GLU cc_start: 0.7582 (OUTLIER) cc_final: 0.7122 (tp30) REVERT: A0 7 GLU cc_start: 0.7756 (OUTLIER) cc_final: 0.6890 (mt-10) REVERT: A0 8 LYS cc_start: 0.8531 (OUTLIER) cc_final: 0.8259 (pttm) REVERT: A0 28 TRP cc_start: 0.8609 (OUTLIER) cc_final: 0.7402 (p90) REVERT: B0 13 GLU cc_start: 0.8317 (tt0) cc_final: 0.8035 (tp30) REVERT: B0 70 ARG cc_start: 0.7127 (OUTLIER) cc_final: 0.6741 (mtp180) REVERT: A1 30 LYS cc_start: 0.8261 (OUTLIER) cc_final: 0.7719 (pmmt) REVERT: B1 83 ARG cc_start: 0.7874 (ptt180) cc_final: 0.7667 (ptt180) REVERT: D1 13 GLU cc_start: 0.8584 (OUTLIER) cc_final: 0.8190 (tp30) REVERT: D1 22 GLU cc_start: 0.7568 (OUTLIER) cc_final: 0.6912 (tm-30) REVERT: A2 7 GLU cc_start: 0.7897 (OUTLIER) cc_final: 0.7167 (mt-10) REVERT: A2 65 LYS cc_start: 0.8340 (OUTLIER) cc_final: 0.7977 (ptpp) REVERT: D2 22 GLU cc_start: 0.7544 (OUTLIER) cc_final: 0.6859 (tm-30) REVERT: A3 7 GLU cc_start: 0.7916 (OUTLIER) cc_final: 0.7237 (mt-10) REVERT: A3 22 LYS cc_start: 0.8756 (OUTLIER) cc_final: 0.7498 (mppt) REVERT: A4 7 GLU cc_start: 0.7887 (OUTLIER) cc_final: 0.6921 (mm-30) REVERT: A4 22 LYS cc_start: 0.8889 (mptt) cc_final: 0.8553 (mmtt) REVERT: A4 28 TRP cc_start: 0.8595 (OUTLIER) cc_final: 0.7291 (p90) REVERT: A4 65 LYS cc_start: 0.8378 (OUTLIER) cc_final: 0.8002 (ptpp) REVERT: D4 22 GLU cc_start: 0.7580 (OUTLIER) cc_final: 0.7132 (tp30) REVERT: A5 7 GLU cc_start: 0.7769 (OUTLIER) cc_final: 0.6944 (mt-10) REVERT: A5 8 LYS cc_start: 0.8469 (OUTLIER) cc_final: 0.8239 (pttm) REVERT: A5 28 TRP cc_start: 0.8611 (OUTLIER) cc_final: 0.7393 (p90) REVERT: B5 13 GLU cc_start: 0.8323 (tt0) cc_final: 0.8093 (tp30) REVERT: B5 70 ARG cc_start: 0.7132 (OUTLIER) cc_final: 0.6739 (mtp180) REVERT: B5 83 ARG cc_start: 0.8078 (ptt90) cc_final: 0.7817 (ptt180) REVERT: A6 30 LYS cc_start: 0.8255 (OUTLIER) cc_final: 0.7711 (pmmt) REVERT: B6 83 ARG cc_start: 0.7904 (ptt180) cc_final: 0.7680 (ptt180) REVERT: D6 13 GLU cc_start: 0.8583 (OUTLIER) cc_final: 0.8181 (tp30) REVERT: D6 22 GLU cc_start: 0.7567 (OUTLIER) cc_final: 0.6914 (tm-30) REVERT: A7 7 GLU cc_start: 0.7863 (OUTLIER) cc_final: 0.7137 (mt-10) REVERT: A7 30 LYS cc_start: 0.8291 (OUTLIER) cc_final: 0.7929 (pmmt) REVERT: A7 65 LYS cc_start: 0.8287 (OUTLIER) cc_final: 0.7931 (ptpp) REVERT: D7 22 GLU cc_start: 0.7538 (OUTLIER) cc_final: 0.6854 (tm-30) REVERT: A8 7 GLU cc_start: 0.7977 (OUTLIER) cc_final: 0.7337 (mt-10) REVERT: A8 22 LYS cc_start: 0.8752 (OUTLIER) cc_final: 0.7495 (mppt) REVERT: A9 7 GLU cc_start: 0.7854 (OUTLIER) cc_final: 0.7054 (mt-10) REVERT: A9 22 LYS cc_start: 0.8886 (mptt) cc_final: 0.8548 (mmtt) REVERT: A9 28 TRP cc_start: 0.8604 (OUTLIER) cc_final: 0.7374 (p90) REVERT: A9 65 LYS cc_start: 0.8384 (OUTLIER) cc_final: 0.8013 (ptpp) REVERT: D9 22 GLU cc_start: 0.7585 (OUTLIER) cc_final: 0.7120 (tp30) outliers start: 477 outliers final: 170 residues processed: 3738 average time/residue: 2.8618 time to fit residues: 14143.4725 Evaluate side-chains 3956 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 374 poor density : 3582 time to evaluate : 12.322 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 7 GLU Chi-restraints excluded: chain AA residue 8 LYS Chi-restraints excluded: chain AA residue 28 TRP Chi-restraints excluded: chain BA residue 70 ARG Chi-restraints excluded: chain CA residue 83 ARG Chi-restraints excluded: chain DA residue 27 MET Chi-restraints excluded: chain AB residue 7 GLU Chi-restraints excluded: chain DB residue 13 GLU Chi-restraints excluded: chain DB residue 22 GLU Chi-restraints excluded: chain DB residue 62 ARG Chi-restraints excluded: chain AC residue 7 GLU Chi-restraints excluded: chain AC residue 28 TRP Chi-restraints excluded: chain AC residue 30 LYS Chi-restraints excluded: chain AC residue 35 ARG Chi-restraints excluded: chain AC residue 65 LYS Chi-restraints excluded: chain BC residue 83 ARG Chi-restraints excluded: chain CC residue 84 VAL Chi-restraints excluded: chain DC residue 22 GLU Chi-restraints excluded: chain DC residue 66 ASP Chi-restraints excluded: chain DC residue 83 ARG Chi-restraints excluded: chain AD residue 7 GLU Chi-restraints excluded: chain AD residue 22 LYS Chi-restraints excluded: chain AD residue 28 TRP Chi-restraints excluded: chain BD residue 25 ASP Chi-restraints excluded: chain DD residue 66 ASP Chi-restraints excluded: chain DD residue 86 SER Chi-restraints excluded: chain AE residue 7 GLU Chi-restraints excluded: chain AE residue 28 TRP Chi-restraints excluded: chain AE residue 65 LYS Chi-restraints excluded: chain CE residue 69 GLU Chi-restraints excluded: chain DE residue 22 GLU Chi-restraints excluded: chain DE residue 69 GLU Chi-restraints excluded: chain AF residue 7 GLU Chi-restraints excluded: chain AF residue 8 LYS Chi-restraints excluded: chain AF residue 28 TRP Chi-restraints excluded: chain BF residue 70 ARG Chi-restraints excluded: chain CF residue 83 ARG Chi-restraints excluded: chain DF residue 27 MET Chi-restraints excluded: chain AG residue 28 TRP Chi-restraints excluded: chain AG residue 30 LYS Chi-restraints excluded: chain CG residue 11 MET Chi-restraints excluded: chain DG residue 13 GLU Chi-restraints excluded: chain DG residue 22 GLU Chi-restraints excluded: chain DG residue 62 ARG Chi-restraints excluded: chain AH residue 7 GLU Chi-restraints excluded: chain AH residue 28 TRP Chi-restraints excluded: chain AH residue 30 LYS Chi-restraints excluded: chain AH residue 35 ARG Chi-restraints excluded: chain AH residue 65 LYS Chi-restraints excluded: chain BH residue 83 ARG Chi-restraints excluded: chain DH residue 22 GLU Chi-restraints excluded: chain DH residue 38 ARG Chi-restraints excluded: chain DH residue 66 ASP Chi-restraints excluded: chain DH residue 83 ARG Chi-restraints excluded: chain AI residue 7 GLU Chi-restraints excluded: chain AI residue 22 LYS Chi-restraints excluded: chain AI residue 28 TRP Chi-restraints excluded: chain BI residue 25 ASP Chi-restraints excluded: chain AJ residue 7 GLU Chi-restraints excluded: chain AJ residue 28 TRP Chi-restraints excluded: chain AJ residue 65 LYS Chi-restraints excluded: chain CJ residue 69 GLU Chi-restraints excluded: chain DJ residue 22 GLU Chi-restraints excluded: chain AK residue 7 GLU Chi-restraints excluded: chain AK residue 8 LYS Chi-restraints excluded: chain AK residue 28 TRP Chi-restraints excluded: chain BK residue 70 ARG Chi-restraints excluded: chain CK residue 83 ARG Chi-restraints excluded: chain DK residue 27 MET Chi-restraints excluded: chain DK residue 69 GLU Chi-restraints excluded: chain AL residue 7 GLU Chi-restraints excluded: chain AL residue 28 TRP Chi-restraints excluded: chain AL residue 30 LYS Chi-restraints excluded: chain CL residue 11 MET Chi-restraints excluded: chain DL residue 13 GLU Chi-restraints excluded: chain DL residue 22 GLU Chi-restraints excluded: chain DL residue 62 ARG Chi-restraints excluded: chain AM residue 7 GLU Chi-restraints excluded: chain AM residue 28 TRP Chi-restraints excluded: chain AM residue 65 LYS Chi-restraints excluded: chain BM residue 83 ARG Chi-restraints excluded: chain DM residue 22 GLU Chi-restraints excluded: chain DM residue 38 ARG Chi-restraints excluded: chain DM residue 66 ASP Chi-restraints excluded: chain AN residue 7 GLU Chi-restraints excluded: chain AN residue 22 LYS Chi-restraints excluded: chain AN residue 28 TRP Chi-restraints excluded: chain BN residue 25 ASP Chi-restraints excluded: chain DN residue 86 SER Chi-restraints excluded: chain AO residue 7 GLU Chi-restraints excluded: chain AO residue 28 TRP Chi-restraints excluded: chain AO residue 65 LYS Chi-restraints excluded: chain CO residue 69 GLU Chi-restraints excluded: chain CO residue 88 VAL Chi-restraints excluded: chain DO residue 22 GLU Chi-restraints excluded: chain DO residue 69 GLU Chi-restraints excluded: chain AP residue 8 LYS Chi-restraints excluded: chain AP residue 28 TRP Chi-restraints excluded: chain BP residue 70 ARG Chi-restraints excluded: chain CP residue 83 ARG Chi-restraints excluded: chain DP residue 27 MET Chi-restraints excluded: chain AQ residue 7 GLU Chi-restraints excluded: chain AQ residue 28 TRP Chi-restraints excluded: chain AQ residue 30 LYS Chi-restraints excluded: chain DQ residue 13 GLU Chi-restraints excluded: chain DQ residue 22 GLU Chi-restraints excluded: chain DQ residue 62 ARG Chi-restraints excluded: chain AR residue 7 GLU Chi-restraints excluded: chain AR residue 28 TRP Chi-restraints excluded: chain AR residue 35 ARG Chi-restraints excluded: chain AR residue 65 LYS Chi-restraints excluded: chain CR residue 84 VAL Chi-restraints excluded: chain DR residue 22 GLU Chi-restraints excluded: chain DR residue 66 ASP Chi-restraints excluded: chain DR residue 83 ARG Chi-restraints excluded: chain AS residue 7 GLU Chi-restraints excluded: chain AS residue 22 LYS Chi-restraints excluded: chain AS residue 28 TRP Chi-restraints excluded: chain BS residue 25 ASP Chi-restraints excluded: chain AT residue 7 GLU Chi-restraints excluded: chain AT residue 28 TRP Chi-restraints excluded: chain AT residue 65 LYS Chi-restraints excluded: chain CT residue 69 GLU Chi-restraints excluded: chain CT residue 88 VAL Chi-restraints excluded: chain DT residue 22 GLU Chi-restraints excluded: chain AV residue 7 GLU Chi-restraints excluded: chain AV residue 28 TRP Chi-restraints excluded: chain BV residue 70 ARG Chi-restraints excluded: chain CV residue 83 ARG Chi-restraints excluded: chain DV residue 27 MET Chi-restraints excluded: chain AW residue 7 GLU Chi-restraints excluded: chain AW residue 28 TRP Chi-restraints excluded: chain AW residue 30 LYS Chi-restraints excluded: chain DW residue 13 GLU Chi-restraints excluded: chain DW residue 22 GLU Chi-restraints excluded: chain AX residue 7 GLU Chi-restraints excluded: chain AX residue 28 TRP Chi-restraints excluded: chain AX residue 30 LYS Chi-restraints excluded: chain AX residue 35 ARG Chi-restraints excluded: chain AX residue 65 LYS Chi-restraints excluded: chain BX residue 83 ARG Chi-restraints excluded: chain DX residue 22 GLU Chi-restraints excluded: chain DX residue 66 ASP Chi-restraints excluded: chain DX residue 83 ARG Chi-restraints excluded: chain AY residue 7 GLU Chi-restraints excluded: chain AY residue 22 LYS Chi-restraints excluded: chain AY residue 28 TRP Chi-restraints excluded: chain BY residue 25 ASP Chi-restraints excluded: chain DY residue 86 SER Chi-restraints excluded: chain AZ residue 7 GLU Chi-restraints excluded: chain AZ residue 28 TRP Chi-restraints excluded: chain AZ residue 65 LYS Chi-restraints excluded: chain CZ residue 69 GLU Chi-restraints excluded: chain CZ residue 88 VAL Chi-restraints excluded: chain DZ residue 22 GLU Chi-restraints excluded: chain DZ residue 69 GLU Chi-restraints excluded: chain Aa residue 7 GLU Chi-restraints excluded: chain Aa residue 8 LYS Chi-restraints excluded: chain Aa residue 28 TRP Chi-restraints excluded: chain Ba residue 70 ARG Chi-restraints excluded: chain Ca residue 83 ARG Chi-restraints excluded: chain Da residue 27 MET Chi-restraints excluded: chain Ab residue 7 GLU Chi-restraints excluded: chain Ab residue 65 LYS Chi-restraints excluded: chain Db residue 13 GLU Chi-restraints excluded: chain Db residue 22 GLU Chi-restraints excluded: chain Db residue 62 ARG Chi-restraints excluded: chain Ac residue 7 GLU Chi-restraints excluded: chain Ac residue 28 TRP Chi-restraints excluded: chain Ac residue 30 LYS Chi-restraints excluded: chain Ac residue 65 LYS Chi-restraints excluded: chain Cc residue 84 VAL Chi-restraints excluded: chain Dc residue 22 GLU Chi-restraints excluded: chain Dc residue 38 ARG Chi-restraints excluded: chain Dc residue 66 ASP Chi-restraints excluded: chain Ad residue 7 GLU Chi-restraints excluded: chain Ad residue 22 LYS Chi-restraints excluded: chain Ad residue 28 TRP Chi-restraints excluded: chain Bd residue 25 ASP Chi-restraints excluded: chain Dd residue 86 SER Chi-restraints excluded: chain Ae residue 7 GLU Chi-restraints excluded: chain Ae residue 28 TRP Chi-restraints excluded: chain Ae residue 65 LYS Chi-restraints excluded: chain Ce residue 69 GLU Chi-restraints excluded: chain Ce residue 88 VAL Chi-restraints excluded: chain De residue 22 GLU Chi-restraints excluded: chain Af residue 7 GLU Chi-restraints excluded: chain Af residue 28 TRP Chi-restraints excluded: chain Bf residue 70 ARG Chi-restraints excluded: chain Cf residue 83 ARG Chi-restraints excluded: chain Df residue 27 MET Chi-restraints excluded: chain Ag residue 7 GLU Chi-restraints excluded: chain Ag residue 28 TRP Chi-restraints excluded: chain Ag residue 30 LYS Chi-restraints excluded: chain Cg residue 11 MET Chi-restraints excluded: chain Dg residue 13 GLU Chi-restraints excluded: chain Dg residue 22 GLU Chi-restraints excluded: chain Ah residue 7 GLU Chi-restraints excluded: chain Ah residue 28 TRP Chi-restraints excluded: chain Ah residue 30 LYS Chi-restraints excluded: chain Ah residue 35 ARG Chi-restraints excluded: chain Ah residue 65 LYS Chi-restraints excluded: chain Bh residue 83 ARG Chi-restraints excluded: chain Dh residue 22 GLU Chi-restraints excluded: chain Dh residue 66 ASP Chi-restraints excluded: chain Dh residue 83 ARG Chi-restraints excluded: chain Ai residue 7 GLU Chi-restraints excluded: chain Ai residue 22 LYS Chi-restraints excluded: chain Ai residue 28 TRP Chi-restraints excluded: chain Bi residue 25 ASP Chi-restraints excluded: chain Di residue 86 SER Chi-restraints excluded: chain Aj residue 7 GLU Chi-restraints excluded: chain Aj residue 28 TRP Chi-restraints excluded: chain Aj residue 65 LYS Chi-restraints excluded: chain Cj residue 69 GLU Chi-restraints excluded: chain Cj residue 70 ARG Chi-restraints excluded: chain Cj residue 88 VAL Chi-restraints excluded: chain Dj residue 22 GLU Chi-restraints excluded: chain Ak residue 2 LYS Chi-restraints excluded: chain Ak residue 7 GLU Chi-restraints excluded: chain Ak residue 28 TRP Chi-restraints excluded: chain Bk residue 70 ARG Chi-restraints excluded: chain Ck residue 83 ARG Chi-restraints excluded: chain Dk residue 27 MET Chi-restraints excluded: chain Dk residue 69 GLU Chi-restraints excluded: chain Al residue 7 GLU Chi-restraints excluded: chain Al residue 28 TRP Chi-restraints excluded: chain Dl residue 13 GLU Chi-restraints excluded: chain Dl residue 22 GLU Chi-restraints excluded: chain Am residue 7 GLU Chi-restraints excluded: chain Am residue 28 TRP Chi-restraints excluded: chain Am residue 35 ARG Chi-restraints excluded: chain Am residue 65 LYS Chi-restraints excluded: chain Cm residue 84 VAL Chi-restraints excluded: chain Dm residue 22 GLU Chi-restraints excluded: chain Dm residue 66 ASP Chi-restraints excluded: chain Dm residue 83 ARG Chi-restraints excluded: chain An residue 7 GLU Chi-restraints excluded: chain An residue 22 LYS Chi-restraints excluded: chain An residue 28 TRP Chi-restraints excluded: chain An residue 30 LYS Chi-restraints excluded: chain Bn residue 25 ASP Chi-restraints excluded: chain Dn residue 86 SER Chi-restraints excluded: chain Ao residue 7 GLU Chi-restraints excluded: chain Ao residue 28 TRP Chi-restraints excluded: chain Ao residue 65 LYS Chi-restraints excluded: chain Co residue 69 GLU Chi-restraints excluded: chain Co residue 88 VAL Chi-restraints excluded: chain Do residue 22 GLU Chi-restraints excluded: chain Ap residue 2 LYS Chi-restraints excluded: chain Ap residue 7 GLU Chi-restraints excluded: chain Ap residue 28 TRP Chi-restraints excluded: chain Bp residue 70 ARG Chi-restraints excluded: chain Cp residue 83 ARG Chi-restraints excluded: chain Dp residue 27 MET Chi-restraints excluded: chain Aq residue 7 GLU Chi-restraints excluded: chain Aq residue 65 LYS Chi-restraints excluded: chain Dq residue 13 GLU Chi-restraints excluded: chain Dq residue 22 GLU Chi-restraints excluded: chain Dq residue 62 ARG Chi-restraints excluded: chain Ar residue 7 GLU Chi-restraints excluded: chain Ar residue 28 TRP Chi-restraints excluded: chain Ar residue 30 LYS Chi-restraints excluded: chain Ar residue 35 ARG Chi-restraints excluded: chain Ar residue 65 LYS Chi-restraints excluded: chain Br residue 83 ARG Chi-restraints excluded: chain Dr residue 22 GLU Chi-restraints excluded: chain Dr residue 38 ARG Chi-restraints excluded: chain Dr residue 66 ASP Chi-restraints excluded: chain Dr residue 83 ARG Chi-restraints excluded: chain As residue 7 GLU Chi-restraints excluded: chain As residue 22 LYS Chi-restraints excluded: chain As residue 28 TRP Chi-restraints excluded: chain Bs residue 25 ASP Chi-restraints excluded: chain Ds residue 86 SER Chi-restraints excluded: chain At residue 7 GLU Chi-restraints excluded: chain At residue 28 TRP Chi-restraints excluded: chain At residue 65 LYS Chi-restraints excluded: chain Ct residue 69 GLU Chi-restraints excluded: chain Ct residue 88 VAL Chi-restraints excluded: chain Dt residue 22 GLU Chi-restraints excluded: chain Av residue 2 LYS Chi-restraints excluded: chain Av residue 7 GLU Chi-restraints excluded: chain Av residue 28 TRP Chi-restraints excluded: chain Bv residue 70 ARG Chi-restraints excluded: chain Cv residue 83 ARG Chi-restraints excluded: chain Dv residue 27 MET Chi-restraints excluded: chain Aw residue 7 GLU Chi-restraints excluded: chain Aw residue 28 TRP Chi-restraints excluded: chain Aw residue 30 LYS Chi-restraints excluded: chain Cw residue 11 MET Chi-restraints excluded: chain Dw residue 13 GLU Chi-restraints excluded: chain Dw residue 22 GLU Chi-restraints excluded: chain Ax residue 7 GLU Chi-restraints excluded: chain Ax residue 28 TRP Chi-restraints excluded: chain Ax residue 30 LYS Chi-restraints excluded: chain Ax residue 35 ARG Chi-restraints excluded: chain Ax residue 65 LYS Chi-restraints excluded: chain Bx residue 83 ARG Chi-restraints excluded: chain Cx residue 84 VAL Chi-restraints excluded: chain Dx residue 22 GLU Chi-restraints excluded: chain Dx residue 38 ARG Chi-restraints excluded: chain Dx residue 66 ASP Chi-restraints excluded: chain Dx residue 83 ARG Chi-restraints excluded: chain Ay residue 7 GLU Chi-restraints excluded: chain Ay residue 22 LYS Chi-restraints excluded: chain Ay residue 28 TRP Chi-restraints excluded: chain By residue 25 ASP Chi-restraints excluded: chain Dy residue 66 ASP Chi-restraints excluded: chain Az residue 7 GLU Chi-restraints excluded: chain Az residue 28 TRP Chi-restraints excluded: chain Cz residue 69 GLU Chi-restraints excluded: chain Cz residue 88 VAL Chi-restraints excluded: chain Dz residue 22 GLU Chi-restraints excluded: chain A0 residue 7 GLU Chi-restraints excluded: chain A0 residue 8 LYS Chi-restraints excluded: chain A0 residue 28 TRP Chi-restraints excluded: chain B0 residue 70 ARG Chi-restraints excluded: chain C0 residue 83 ARG Chi-restraints excluded: chain D0 residue 27 MET Chi-restraints excluded: chain D0 residue 69 GLU Chi-restraints excluded: chain A1 residue 7 GLU Chi-restraints excluded: chain A1 residue 28 TRP Chi-restraints excluded: chain A1 residue 30 LYS Chi-restraints excluded: chain D1 residue 13 GLU Chi-restraints excluded: chain D1 residue 22 GLU Chi-restraints excluded: chain A2 residue 7 GLU Chi-restraints excluded: chain A2 residue 28 TRP Chi-restraints excluded: chain A2 residue 65 LYS Chi-restraints excluded: chain C2 residue 84 VAL Chi-restraints excluded: chain D2 residue 22 GLU Chi-restraints excluded: chain D2 residue 66 ASP Chi-restraints excluded: chain D2 residue 83 ARG Chi-restraints excluded: chain A3 residue 7 GLU Chi-restraints excluded: chain A3 residue 22 LYS Chi-restraints excluded: chain A3 residue 28 TRP Chi-restraints excluded: chain B3 residue 25 ASP Chi-restraints excluded: chain D3 residue 66 ASP Chi-restraints excluded: chain D3 residue 86 SER Chi-restraints excluded: chain A4 residue 7 GLU Chi-restraints excluded: chain A4 residue 28 TRP Chi-restraints excluded: chain A4 residue 65 LYS Chi-restraints excluded: chain C4 residue 69 GLU Chi-restraints excluded: chain C4 residue 88 VAL Chi-restraints excluded: chain D4 residue 22 GLU Chi-restraints excluded: chain A5 residue 7 GLU Chi-restraints excluded: chain A5 residue 8 LYS Chi-restraints excluded: chain A5 residue 28 TRP Chi-restraints excluded: chain B5 residue 70 ARG Chi-restraints excluded: chain C5 residue 83 ARG Chi-restraints excluded: chain D5 residue 27 MET Chi-restraints excluded: chain D5 residue 69 GLU Chi-restraints excluded: chain A6 residue 7 GLU Chi-restraints excluded: chain A6 residue 28 TRP Chi-restraints excluded: chain A6 residue 30 LYS Chi-restraints excluded: chain D6 residue 13 GLU Chi-restraints excluded: chain D6 residue 22 GLU Chi-restraints excluded: chain A7 residue 7 GLU Chi-restraints excluded: chain A7 residue 28 TRP Chi-restraints excluded: chain A7 residue 30 LYS Chi-restraints excluded: chain A7 residue 35 ARG Chi-restraints excluded: chain A7 residue 65 LYS Chi-restraints excluded: chain C7 residue 84 VAL Chi-restraints excluded: chain D7 residue 22 GLU Chi-restraints excluded: chain D7 residue 66 ASP Chi-restraints excluded: chain A8 residue 7 GLU Chi-restraints excluded: chain A8 residue 22 LYS Chi-restraints excluded: chain A8 residue 28 TRP Chi-restraints excluded: chain B8 residue 25 ASP Chi-restraints excluded: chain A9 residue 7 GLU Chi-restraints excluded: chain A9 residue 28 TRP Chi-restraints excluded: chain A9 residue 65 LYS Chi-restraints excluded: chain C9 residue 69 GLU Chi-restraints excluded: chain D9 residue 22 GLU Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1725 optimal weight: 9.9990 chunk 1313 optimal weight: 0.9990 chunk 906 optimal weight: 20.0000 chunk 193 optimal weight: 9.9990 chunk 833 optimal weight: 10.0000 chunk 1172 optimal weight: 20.0000 chunk 1752 optimal weight: 20.0000 chunk 1855 optimal weight: 10.0000 chunk 915 optimal weight: 20.0000 chunk 1661 optimal weight: 9.9990 chunk 500 optimal weight: 20.0000 overall best weight: 8.1992 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: CA 85 HIS CD 58 ASN CF 85 HIS CG 85 HIS CI 58 ASN CK 85 HIS CN 58 ASN CS 58 ASN CV 85 HIS CY 58 ASN Ca 85 HIS Cd 58 ASN Cf 85 HIS Ci 58 ASN Ck 85 HIS Cn 58 ASN Cp 85 HIS Cs 58 ASN Cv 85 HIS Cy 58 ASN C0 85 HIS C3 58 ASN C5 85 HIS C8 58 ASN Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8426 moved from start: 0.1331 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.046 151920 Z= 0.354 Angle : 0.702 8.292 205800 Z= 0.369 Chirality : 0.047 0.142 24900 Planarity : 0.005 0.034 26760 Dihedral : 5.108 20.563 22260 Min Nonbonded Distance : 2.079 Molprobity Statistics. All-atom Clashscore : 5.54 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.14 % Favored : 97.86 % Rotamer: Outliers : 4.11 % Allowed : 21.55 % Favored : 74.34 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.34 (0.06), residues: 20340 helix: 0.62 (0.06), residues: 6240 sheet: 0.95 (0.07), residues: 6000 loop : -0.55 (0.07), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.048 0.004 TRPAG 28 HIS 0.005 0.001 HISB4 79 PHE 0.008 0.001 PHEDO 40 TYR 0.011 0.002 TYRCG 45 ARG 0.006 0.001 ARGBM 62 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4250 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 612 poor density : 3638 time to evaluate : 12.451 Fit side-chains REVERT: AA 7 GLU cc_start: 0.7817 (OUTLIER) cc_final: 0.6957 (mt-10) REVERT: AA 8 LYS cc_start: 0.8483 (OUTLIER) cc_final: 0.8283 (pttm) REVERT: AA 28 TRP cc_start: 0.8645 (OUTLIER) cc_final: 0.7408 (p90) REVERT: BA 13 GLU cc_start: 0.8325 (tt0) cc_final: 0.8052 (tp30) REVERT: BA 70 ARG cc_start: 0.7192 (OUTLIER) cc_final: 0.6783 (mtp180) REVERT: BB 75 LEU cc_start: 0.8925 (OUTLIER) cc_final: 0.8516 (tp) REVERT: CB 75 LEU cc_start: 0.8953 (OUTLIER) cc_final: 0.8619 (tp) REVERT: DB 13 GLU cc_start: 0.8572 (OUTLIER) cc_final: 0.8172 (tp30) REVERT: DB 22 GLU cc_start: 0.7646 (OUTLIER) cc_final: 0.6991 (tm-30) REVERT: AC 7 GLU cc_start: 0.7946 (OUTLIER) cc_final: 0.7203 (mt-10) REVERT: AC 30 LYS cc_start: 0.8308 (OUTLIER) cc_final: 0.7962 (pmmt) REVERT: AC 65 LYS cc_start: 0.8289 (OUTLIER) cc_final: 0.7802 (ptpp) REVERT: BC 83 ARG cc_start: 0.8000 (OUTLIER) cc_final: 0.7731 (ptt90) REVERT: CC 34 ARG cc_start: 0.7862 (ttp-110) cc_final: 0.7540 (ttp-170) REVERT: DC 22 GLU cc_start: 0.7603 (OUTLIER) cc_final: 0.6865 (tm-30) REVERT: AD 7 GLU cc_start: 0.7943 (OUTLIER) cc_final: 0.7269 (mt-10) REVERT: AD 22 LYS cc_start: 0.8807 (OUTLIER) cc_final: 0.7540 (mppt) REVERT: AD 60 GLU cc_start: 0.7652 (tp30) cc_final: 0.7413 (tp30) REVERT: AE 7 GLU cc_start: 0.7903 (OUTLIER) cc_final: 0.7104 (mm-30) REVERT: AE 22 LYS cc_start: 0.8900 (mptt) cc_final: 0.8534 (mmtt) REVERT: CE 75 LEU cc_start: 0.8918 (OUTLIER) cc_final: 0.8675 (tp) REVERT: DE 15 ARG cc_start: 0.8195 (mtm-85) cc_final: 0.7824 (mtt180) REVERT: DE 22 GLU cc_start: 0.7622 (OUTLIER) cc_final: 0.7156 (tp30) REVERT: DE 66 ASP cc_start: 0.7120 (OUTLIER) cc_final: 0.6834 (t70) REVERT: AF 7 GLU cc_start: 0.7950 (OUTLIER) cc_final: 0.7140 (mm-30) REVERT: AF 8 LYS cc_start: 0.8521 (OUTLIER) cc_final: 0.8314 (pttm) REVERT: AF 28 TRP cc_start: 0.8625 (OUTLIER) cc_final: 0.7246 (p90) REVERT: BF 13 GLU cc_start: 0.8321 (tt0) cc_final: 0.8053 (tp30) REVERT: BF 70 ARG cc_start: 0.7185 (OUTLIER) cc_final: 0.6771 (mtp180) REVERT: BF 83 ARG cc_start: 0.8103 (ptt90) cc_final: 0.7793 (ptt180) REVERT: AG 7 GLU cc_start: 0.7886 (OUTLIER) cc_final: 0.6937 (mt-10) REVERT: CG 75 LEU cc_start: 0.8942 (OUTLIER) cc_final: 0.8617 (tp) REVERT: DG 13 GLU cc_start: 0.8572 (OUTLIER) cc_final: 0.8159 (tp30) REVERT: DG 22 GLU cc_start: 0.7668 (OUTLIER) cc_final: 0.7008 (tm-30) REVERT: AH 7 GLU cc_start: 0.7941 (OUTLIER) cc_final: 0.7155 (mt-10) REVERT: AH 30 LYS cc_start: 0.8298 (OUTLIER) cc_final: 0.7959 (pmmt) REVERT: AH 65 LYS cc_start: 0.8285 (OUTLIER) cc_final: 0.7799 (ptpp) REVERT: BH 83 ARG cc_start: 0.7986 (OUTLIER) cc_final: 0.7711 (ptt90) REVERT: CH 34 ARG cc_start: 0.7844 (ttp-110) cc_final: 0.7527 (ttp-170) REVERT: DH 22 GLU cc_start: 0.7601 (OUTLIER) cc_final: 0.6871 (tm-30) REVERT: AI 7 GLU cc_start: 0.7977 (OUTLIER) cc_final: 0.7300 (mt-10) REVERT: AI 22 LYS cc_start: 0.8789 (OUTLIER) cc_final: 0.7487 (mppt) REVERT: AI 60 GLU cc_start: 0.7685 (tp30) cc_final: 0.7459 (tp30) REVERT: AJ 7 GLU cc_start: 0.7905 (OUTLIER) cc_final: 0.7112 (mm-30) REVERT: AJ 22 LYS cc_start: 0.8888 (mptt) cc_final: 0.8523 (mmtt) REVERT: CJ 75 LEU cc_start: 0.8916 (OUTLIER) cc_final: 0.8671 (tp) REVERT: DJ 15 ARG cc_start: 0.8193 (mtm-85) cc_final: 0.7825 (mtt180) REVERT: DJ 22 GLU cc_start: 0.7617 (OUTLIER) cc_final: 0.7163 (tp30) REVERT: DJ 66 ASP cc_start: 0.7156 (OUTLIER) cc_final: 0.6836 (t70) REVERT: DJ 69 GLU cc_start: 0.6917 (OUTLIER) cc_final: 0.6658 (pt0) REVERT: AK 7 GLU cc_start: 0.7827 (OUTLIER) cc_final: 0.7034 (mt-10) REVERT: AK 8 LYS cc_start: 0.8486 (OUTLIER) cc_final: 0.8257 (pttm) REVERT: AK 28 TRP cc_start: 0.8642 (OUTLIER) cc_final: 0.7242 (p90) REVERT: BK 13 GLU cc_start: 0.8322 (tt0) cc_final: 0.8052 (tp30) REVERT: BK 70 ARG cc_start: 0.7194 (OUTLIER) cc_final: 0.6775 (mtp180) REVERT: BK 83 ARG cc_start: 0.8100 (ptt90) cc_final: 0.7787 (ptt180) REVERT: CL 75 LEU cc_start: 0.8954 (OUTLIER) cc_final: 0.8615 (tp) REVERT: DL 13 GLU cc_start: 0.8574 (OUTLIER) cc_final: 0.8173 (tp30) REVERT: DL 22 GLU cc_start: 0.7648 (OUTLIER) cc_final: 0.6987 (tm-30) REVERT: AM 7 GLU cc_start: 0.7981 (OUTLIER) cc_final: 0.7228 (mt-10) REVERT: AM 30 LYS cc_start: 0.8331 (OUTLIER) cc_final: 0.8083 (pmmt) REVERT: AM 65 LYS cc_start: 0.8295 (OUTLIER) cc_final: 0.7799 (ptpp) REVERT: BM 83 ARG cc_start: 0.7992 (OUTLIER) cc_final: 0.7722 (ptt90) REVERT: CM 34 ARG cc_start: 0.7849 (ttp-110) cc_final: 0.7536 (ttp-170) REVERT: DM 22 GLU cc_start: 0.7604 (OUTLIER) cc_final: 0.6867 (tm-30) REVERT: AN 7 GLU cc_start: 0.7983 (OUTLIER) cc_final: 0.7293 (mt-10) REVERT: AN 22 LYS cc_start: 0.8801 (OUTLIER) cc_final: 0.7530 (mppt) REVERT: AN 60 GLU cc_start: 0.7657 (tp30) cc_final: 0.7419 (tp30) REVERT: AO 7 GLU cc_start: 0.7903 (OUTLIER) cc_final: 0.7106 (mm-30) REVERT: AO 22 LYS cc_start: 0.8888 (mptt) cc_final: 0.8518 (mmtt) REVERT: CO 75 LEU cc_start: 0.8924 (OUTLIER) cc_final: 0.8680 (tp) REVERT: DO 22 GLU cc_start: 0.7624 (OUTLIER) cc_final: 0.7146 (tp30) REVERT: DO 66 ASP cc_start: 0.7167 (OUTLIER) cc_final: 0.6877 (t70) REVERT: AP 7 GLU cc_start: 0.7920 (OUTLIER) cc_final: 0.7131 (mt-10) REVERT: AP 8 LYS cc_start: 0.8581 (OUTLIER) cc_final: 0.8319 (pttm) REVERT: AP 28 TRP cc_start: 0.8630 (OUTLIER) cc_final: 0.7294 (p90) REVERT: BP 13 GLU cc_start: 0.8382 (tt0) cc_final: 0.8136 (tp30) REVERT: BP 70 ARG cc_start: 0.7198 (OUTLIER) cc_final: 0.6780 (mtp180) REVERT: AQ 30 LYS cc_start: 0.8212 (OUTLIER) cc_final: 0.7658 (pmmt) REVERT: CQ 75 LEU cc_start: 0.8949 (OUTLIER) cc_final: 0.8635 (tp) REVERT: DQ 13 GLU cc_start: 0.8587 (OUTLIER) cc_final: 0.8170 (tp30) REVERT: DQ 22 GLU cc_start: 0.7611 (OUTLIER) cc_final: 0.6979 (tm-30) REVERT: AR 7 GLU cc_start: 0.7961 (OUTLIER) cc_final: 0.7204 (mt-10) REVERT: AR 65 LYS cc_start: 0.8286 (OUTLIER) cc_final: 0.7813 (ptpp) REVERT: BR 83 ARG cc_start: 0.7971 (OUTLIER) cc_final: 0.7591 (ptt90) REVERT: CR 34 ARG cc_start: 0.7854 (ttp-110) cc_final: 0.7531 (ttp-170) REVERT: DR 22 GLU cc_start: 0.7599 (OUTLIER) cc_final: 0.6873 (tm-30) REVERT: AS 7 GLU cc_start: 0.7932 (OUTLIER) cc_final: 0.7243 (mt-10) REVERT: AS 22 LYS cc_start: 0.8801 (OUTLIER) cc_final: 0.7507 (mppt) REVERT: AT 7 GLU cc_start: 0.7911 (OUTLIER) cc_final: 0.7111 (mm-30) REVERT: AT 22 LYS cc_start: 0.8898 (mptt) cc_final: 0.8518 (mmtt) REVERT: CT 75 LEU cc_start: 0.8920 (OUTLIER) cc_final: 0.8673 (tp) REVERT: DT 15 ARG cc_start: 0.8196 (mtm-85) cc_final: 0.7832 (mtt180) REVERT: DT 22 GLU cc_start: 0.7623 (OUTLIER) cc_final: 0.7159 (tp30) REVERT: DT 66 ASP cc_start: 0.7157 (OUTLIER) cc_final: 0.6836 (t70) REVERT: DT 69 GLU cc_start: 0.6927 (OUTLIER) cc_final: 0.6668 (pt0) REVERT: AV 7 GLU cc_start: 0.7976 (OUTLIER) cc_final: 0.7145 (mt-10) REVERT: AV 28 TRP cc_start: 0.8630 (OUTLIER) cc_final: 0.7284 (p90) REVERT: BV 13 GLU cc_start: 0.8294 (tt0) cc_final: 0.8036 (tp30) REVERT: BV 70 ARG cc_start: 0.7179 (OUTLIER) cc_final: 0.6759 (mtp180) REVERT: BW 75 LEU cc_start: 0.8928 (OUTLIER) cc_final: 0.8525 (tp) REVERT: CW 75 LEU cc_start: 0.8979 (OUTLIER) cc_final: 0.8655 (tp) REVERT: DW 13 GLU cc_start: 0.8614 (OUTLIER) cc_final: 0.8204 (tp30) REVERT: DW 22 GLU cc_start: 0.7590 (OUTLIER) cc_final: 0.6948 (tm-30) REVERT: AX 7 GLU cc_start: 0.7930 (OUTLIER) cc_final: 0.7202 (mt-10) REVERT: AX 30 LYS cc_start: 0.8318 (OUTLIER) cc_final: 0.7975 (pmmt) REVERT: AX 65 LYS cc_start: 0.8289 (OUTLIER) cc_final: 0.7814 (ptpp) REVERT: BX 83 ARG cc_start: 0.8046 (OUTLIER) cc_final: 0.7782 (ptt90) REVERT: CX 34 ARG cc_start: 0.7876 (ttp-110) cc_final: 0.7535 (ttp-170) REVERT: DX 22 GLU cc_start: 0.7585 (OUTLIER) cc_final: 0.6829 (tm-30) REVERT: AY 7 GLU cc_start: 0.8009 (OUTLIER) cc_final: 0.7323 (mt-10) REVERT: AY 22 LYS cc_start: 0.8765 (OUTLIER) cc_final: 0.7513 (mppt) REVERT: AZ 7 GLU cc_start: 0.7901 (OUTLIER) cc_final: 0.7136 (mm-30) REVERT: AZ 22 LYS cc_start: 0.8882 (mptt) cc_final: 0.8512 (mmtt) REVERT: CZ 75 LEU cc_start: 0.8926 (OUTLIER) cc_final: 0.8684 (tp) REVERT: DZ 15 ARG cc_start: 0.8204 (mtm-85) cc_final: 0.7842 (mtt180) REVERT: DZ 22 GLU cc_start: 0.7636 (OUTLIER) cc_final: 0.7179 (tp30) REVERT: DZ 66 ASP cc_start: 0.7139 (OUTLIER) cc_final: 0.6836 (t70) REVERT: Aa 7 GLU cc_start: 0.7800 (OUTLIER) cc_final: 0.6940 (mt-10) REVERT: Aa 28 TRP cc_start: 0.8634 (OUTLIER) cc_final: 0.7406 (p90) REVERT: Ba 13 GLU cc_start: 0.8358 (tt0) cc_final: 0.8110 (tp30) REVERT: Ba 70 ARG cc_start: 0.7176 (OUTLIER) cc_final: 0.6785 (mtp180) REVERT: Ab 7 GLU cc_start: 0.7836 (OUTLIER) cc_final: 0.7059 (mt-10) REVERT: Ab 22 LYS cc_start: 0.8615 (mttp) cc_final: 0.8350 (mttt) REVERT: Ab 65 LYS cc_start: 0.8248 (OUTLIER) cc_final: 0.7962 (ptpp) REVERT: Db 13 GLU cc_start: 0.8588 (OUTLIER) cc_final: 0.8176 (tp30) REVERT: Db 15 ARG cc_start: 0.8171 (mtm-85) cc_final: 0.7970 (mtt90) REVERT: Db 22 GLU cc_start: 0.7618 (OUTLIER) cc_final: 0.6957 (tm-30) REVERT: Ac 7 GLU cc_start: 0.7954 (OUTLIER) cc_final: 0.7227 (mt-10) REVERT: Ac 30 LYS cc_start: 0.8321 (OUTLIER) cc_final: 0.8040 (pmmt) REVERT: Ac 65 LYS cc_start: 0.8288 (OUTLIER) cc_final: 0.7792 (ptpp) REVERT: Bc 83 ARG cc_start: 0.8024 (OUTLIER) cc_final: 0.7669 (ptt90) REVERT: Cc 34 ARG cc_start: 0.7861 (ttp-110) cc_final: 0.7539 (ttp-170) REVERT: Dc 22 GLU cc_start: 0.7594 (OUTLIER) cc_final: 0.6843 (tm-30) REVERT: Ad 7 GLU cc_start: 0.8038 (OUTLIER) cc_final: 0.7308 (mt-10) REVERT: Ad 22 LYS cc_start: 0.8778 (OUTLIER) cc_final: 0.7521 (mppt) REVERT: Ae 7 GLU cc_start: 0.7941 (OUTLIER) cc_final: 0.7053 (mm-30) REVERT: Ae 22 LYS cc_start: 0.8882 (mptt) cc_final: 0.8509 (mmtt) REVERT: Ce 75 LEU cc_start: 0.8923 (OUTLIER) cc_final: 0.8678 (tp) REVERT: De 15 ARG cc_start: 0.8201 (mtm-85) cc_final: 0.7850 (mtt180) REVERT: De 22 GLU cc_start: 0.7622 (OUTLIER) cc_final: 0.7164 (tp30) REVERT: De 66 ASP cc_start: 0.7165 (OUTLIER) cc_final: 0.6820 (t70) REVERT: De 69 GLU cc_start: 0.6919 (OUTLIER) cc_final: 0.6657 (pt0) REVERT: Af 7 GLU cc_start: 0.7832 (OUTLIER) cc_final: 0.7035 (mt-10) REVERT: Af 28 TRP cc_start: 0.8631 (OUTLIER) cc_final: 0.7321 (p90) REVERT: Bf 13 GLU cc_start: 0.8310 (tt0) cc_final: 0.8034 (tp30) REVERT: Bf 70 ARG cc_start: 0.7192 (OUTLIER) cc_final: 0.6781 (mtp180) REVERT: Ag 8 LYS cc_start: 0.8516 (pttm) cc_final: 0.8252 (pttp) REVERT: Bg 75 LEU cc_start: 0.8938 (OUTLIER) cc_final: 0.8531 (tp) REVERT: Cg 75 LEU cc_start: 0.8967 (OUTLIER) cc_final: 0.8643 (tp) REVERT: Dg 13 GLU cc_start: 0.8599 (OUTLIER) cc_final: 0.8156 (tp30) REVERT: Dg 22 GLU cc_start: 0.7586 (OUTLIER) cc_final: 0.6955 (tm-30) REVERT: Ah 7 GLU cc_start: 0.7934 (OUTLIER) cc_final: 0.7194 (mt-10) REVERT: Ah 30 LYS cc_start: 0.8329 (OUTLIER) cc_final: 0.7989 (pmmt) REVERT: Ah 65 LYS cc_start: 0.8298 (OUTLIER) cc_final: 0.7809 (ptpp) REVERT: Bh 83 ARG cc_start: 0.8035 (OUTLIER) cc_final: 0.7759 (ptt90) REVERT: Ch 34 ARG cc_start: 0.7873 (ttp-110) cc_final: 0.7534 (ttp-170) REVERT: Dh 22 GLU cc_start: 0.7595 (OUTLIER) cc_final: 0.6837 (tm-30) REVERT: Ai 7 GLU cc_start: 0.7991 (OUTLIER) cc_final: 0.7301 (mt-10) REVERT: Ai 22 LYS cc_start: 0.8769 (OUTLIER) cc_final: 0.7519 (mppt) REVERT: Aj 7 GLU cc_start: 0.7900 (OUTLIER) cc_final: 0.7102 (mm-30) REVERT: Aj 22 LYS cc_start: 0.8880 (mptt) cc_final: 0.8502 (mmtt) REVERT: Cj 75 LEU cc_start: 0.8920 (OUTLIER) cc_final: 0.8684 (tp) REVERT: Dj 15 ARG cc_start: 0.8203 (mtm-85) cc_final: 0.7844 (mtt180) REVERT: Dj 22 GLU cc_start: 0.7625 (OUTLIER) cc_final: 0.7175 (tp30) REVERT: Dj 66 ASP cc_start: 0.7166 (OUTLIER) cc_final: 0.6833 (t70) REVERT: Dj 69 GLU cc_start: 0.6933 (OUTLIER) cc_final: 0.6669 (pt0) REVERT: Ak 7 GLU cc_start: 0.7801 (OUTLIER) cc_final: 0.6947 (mt-10) REVERT: Ak 28 TRP cc_start: 0.8619 (OUTLIER) cc_final: 0.7399 (p90) REVERT: Bk 13 GLU cc_start: 0.8300 (tt0) cc_final: 0.8041 (tp30) REVERT: Bk 70 ARG cc_start: 0.7195 (OUTLIER) cc_final: 0.6790 (mtp180) REVERT: Al 7 GLU cc_start: 0.7872 (OUTLIER) cc_final: 0.6987 (mt-10) REVERT: Cl 75 LEU cc_start: 0.8975 (OUTLIER) cc_final: 0.8648 (tp) REVERT: Dl 13 GLU cc_start: 0.8600 (OUTLIER) cc_final: 0.8158 (tp30) REVERT: Dl 22 GLU cc_start: 0.7584 (OUTLIER) cc_final: 0.6956 (tm-30) REVERT: Am 7 GLU cc_start: 0.7935 (OUTLIER) cc_final: 0.7206 (mt-10) REVERT: Am 65 LYS cc_start: 0.8297 (OUTLIER) cc_final: 0.7798 (ptpp) REVERT: Bm 13 GLU cc_start: 0.8248 (tt0) cc_final: 0.8012 (tp30) REVERT: Bm 83 ARG cc_start: 0.8039 (OUTLIER) cc_final: 0.7697 (ptt90) REVERT: Cm 34 ARG cc_start: 0.7868 (ttp-110) cc_final: 0.7535 (ttp-170) REVERT: Dm 22 GLU cc_start: 0.7598 (OUTLIER) cc_final: 0.6846 (tm-30) REVERT: An 7 GLU cc_start: 0.8003 (OUTLIER) cc_final: 0.7306 (mt-10) REVERT: An 22 LYS cc_start: 0.8756 (OUTLIER) cc_final: 0.7483 (mppt) REVERT: An 30 LYS cc_start: 0.8193 (OUTLIER) cc_final: 0.7719 (pmmt) REVERT: Ao 7 GLU cc_start: 0.7948 (OUTLIER) cc_final: 0.7060 (mm-30) REVERT: Ao 22 LYS cc_start: 0.8884 (mptt) cc_final: 0.8501 (mmtt) REVERT: Co 75 LEU cc_start: 0.8921 (OUTLIER) cc_final: 0.8677 (tp) REVERT: Do 22 GLU cc_start: 0.7621 (OUTLIER) cc_final: 0.7164 (tp30) REVERT: Do 66 ASP cc_start: 0.7183 (OUTLIER) cc_final: 0.6848 (t70) REVERT: Do 69 GLU cc_start: 0.6944 (OUTLIER) cc_final: 0.6654 (pt0) REVERT: Ap 7 GLU cc_start: 0.7812 (OUTLIER) cc_final: 0.7030 (mt-10) REVERT: Ap 28 TRP cc_start: 0.8644 (OUTLIER) cc_final: 0.7250 (p90) REVERT: Bp 13 GLU cc_start: 0.8375 (tt0) cc_final: 0.8120 (tp30) REVERT: Bp 70 ARG cc_start: 0.7188 (OUTLIER) cc_final: 0.6786 (mtp180) REVERT: Aq 8 LYS cc_start: 0.8585 (pttm) cc_final: 0.8318 (pttp) REVERT: Aq 22 LYS cc_start: 0.8643 (mttt) cc_final: 0.8295 (mttt) REVERT: Aq 30 LYS cc_start: 0.8240 (OUTLIER) cc_final: 0.7915 (pmmt) REVERT: Aq 65 LYS cc_start: 0.8306 (OUTLIER) cc_final: 0.8041 (ptpp) REVERT: Bq 75 LEU cc_start: 0.8917 (OUTLIER) cc_final: 0.8497 (tp) REVERT: Dq 13 GLU cc_start: 0.8609 (OUTLIER) cc_final: 0.8207 (tp30) REVERT: Dq 15 ARG cc_start: 0.8188 (mtm-85) cc_final: 0.7976 (mtt90) REVERT: Dq 22 GLU cc_start: 0.7619 (OUTLIER) cc_final: 0.6962 (tm-30) REVERT: Ar 7 GLU cc_start: 0.7924 (OUTLIER) cc_final: 0.7176 (mt-10) REVERT: Ar 30 LYS cc_start: 0.8309 (OUTLIER) cc_final: 0.7981 (pmmt) REVERT: Ar 65 LYS cc_start: 0.8302 (OUTLIER) cc_final: 0.7808 (ptpp) REVERT: Br 83 ARG cc_start: 0.8040 (OUTLIER) cc_final: 0.7766 (ptt90) REVERT: Cr 34 ARG cc_start: 0.7861 (ttp-110) cc_final: 0.7552 (ttp-170) REVERT: Dr 22 GLU cc_start: 0.7614 (OUTLIER) cc_final: 0.6873 (tm-30) REVERT: As 7 GLU cc_start: 0.7992 (OUTLIER) cc_final: 0.7296 (mt-10) REVERT: As 22 LYS cc_start: 0.8774 (OUTLIER) cc_final: 0.7476 (mppt) REVERT: At 7 GLU cc_start: 0.7962 (OUTLIER) cc_final: 0.7068 (mm-30) REVERT: At 22 LYS cc_start: 0.8895 (mptt) cc_final: 0.8512 (mmtt) REVERT: Ct 75 LEU cc_start: 0.8920 (OUTLIER) cc_final: 0.8682 (tp) REVERT: Dt 15 ARG cc_start: 0.8214 (mtm-85) cc_final: 0.7858 (mtt180) REVERT: Dt 22 GLU cc_start: 0.7620 (OUTLIER) cc_final: 0.7157 (tp30) REVERT: Dt 66 ASP cc_start: 0.7154 (OUTLIER) cc_final: 0.6818 (t70) REVERT: Dt 69 GLU cc_start: 0.6936 (OUTLIER) cc_final: 0.6660 (pt0) REVERT: Av 7 GLU cc_start: 0.7904 (OUTLIER) cc_final: 0.7036 (mt-10) REVERT: Av 28 TRP cc_start: 0.8623 (OUTLIER) cc_final: 0.7313 (p90) REVERT: Bv 13 GLU cc_start: 0.8365 (tt0) cc_final: 0.8125 (tp30) REVERT: Bv 70 ARG cc_start: 0.7184 (OUTLIER) cc_final: 0.6781 (mtp180) REVERT: Cw 75 LEU cc_start: 0.8963 (OUTLIER) cc_final: 0.8632 (tp) REVERT: Dw 13 GLU cc_start: 0.8611 (OUTLIER) cc_final: 0.8208 (tp30) REVERT: Dw 22 GLU cc_start: 0.7602 (OUTLIER) cc_final: 0.6966 (tm-30) REVERT: Ax 7 GLU cc_start: 0.7931 (OUTLIER) cc_final: 0.7190 (mt-10) REVERT: Ax 30 LYS cc_start: 0.8308 (OUTLIER) cc_final: 0.7969 (pmmt) REVERT: Ax 65 LYS cc_start: 0.8289 (OUTLIER) cc_final: 0.7799 (ptpp) REVERT: Bx 83 ARG cc_start: 0.8043 (OUTLIER) cc_final: 0.7760 (ptt90) REVERT: Cx 34 ARG cc_start: 0.7862 (ttp-110) cc_final: 0.7548 (ttp-170) REVERT: Dx 22 GLU cc_start: 0.7612 (OUTLIER) cc_final: 0.6883 (tm-30) REVERT: Ay 7 GLU cc_start: 0.8008 (OUTLIER) cc_final: 0.7263 (mt-10) REVERT: Ay 22 LYS cc_start: 0.8768 (OUTLIER) cc_final: 0.7493 (mppt) REVERT: Az 7 GLU cc_start: 0.7937 (OUTLIER) cc_final: 0.7057 (mm-30) REVERT: Az 22 LYS cc_start: 0.8896 (mptt) cc_final: 0.8525 (mmtt) REVERT: Az 65 LYS cc_start: 0.8394 (OUTLIER) cc_final: 0.8068 (ptpp) REVERT: Cz 75 LEU cc_start: 0.8921 (OUTLIER) cc_final: 0.8681 (tp) REVERT: Dz 15 ARG cc_start: 0.8216 (mtm-85) cc_final: 0.7862 (mtt180) REVERT: Dz 22 GLU cc_start: 0.7618 (OUTLIER) cc_final: 0.7159 (tp30) REVERT: Dz 66 ASP cc_start: 0.7146 (OUTLIER) cc_final: 0.6819 (t70) REVERT: Dz 69 GLU cc_start: 0.6932 (OUTLIER) cc_final: 0.6658 (pt0) REVERT: A0 7 GLU cc_start: 0.7827 (OUTLIER) cc_final: 0.6941 (mt-10) REVERT: A0 8 LYS cc_start: 0.8557 (OUTLIER) cc_final: 0.8315 (pttm) REVERT: A0 28 TRP cc_start: 0.8633 (OUTLIER) cc_final: 0.7417 (p90) REVERT: B0 13 GLU cc_start: 0.8315 (tt0) cc_final: 0.8041 (tp30) REVERT: B0 70 ARG cc_start: 0.7190 (OUTLIER) cc_final: 0.6791 (mtp180) REVERT: C1 75 LEU cc_start: 0.8958 (OUTLIER) cc_final: 0.8623 (tp) REVERT: D1 13 GLU cc_start: 0.8585 (OUTLIER) cc_final: 0.8186 (tp30) REVERT: D1 22 GLU cc_start: 0.7624 (OUTLIER) cc_final: 0.6966 (tm-30) REVERT: A2 7 GLU cc_start: 0.7950 (OUTLIER) cc_final: 0.7208 (mt-10) REVERT: A2 65 LYS cc_start: 0.8412 (OUTLIER) cc_final: 0.8075 (ptpp) REVERT: B2 13 GLU cc_start: 0.8232 (tt0) cc_final: 0.7996 (tp30) REVERT: C2 34 ARG cc_start: 0.7849 (ttp-110) cc_final: 0.7537 (ttp-170) REVERT: D2 22 GLU cc_start: 0.7617 (OUTLIER) cc_final: 0.6895 (tm-30) REVERT: A3 7 GLU cc_start: 0.7989 (OUTLIER) cc_final: 0.7234 (mt-10) REVERT: A3 22 LYS cc_start: 0.8773 (OUTLIER) cc_final: 0.7500 (mppt) REVERT: A4 7 GLU cc_start: 0.7977 (OUTLIER) cc_final: 0.7089 (mm-30) REVERT: A4 22 LYS cc_start: 0.8895 (mptt) cc_final: 0.8516 (mmtt) REVERT: C4 75 LEU cc_start: 0.8926 (OUTLIER) cc_final: 0.8687 (tp) REVERT: D4 22 GLU cc_start: 0.7617 (OUTLIER) cc_final: 0.7156 (tp30) REVERT: D4 66 ASP cc_start: 0.7169 (OUTLIER) cc_final: 0.6846 (t70) REVERT: A5 7 GLU cc_start: 0.7843 (OUTLIER) cc_final: 0.6956 (mt-10) REVERT: A5 28 TRP cc_start: 0.8624 (OUTLIER) cc_final: 0.7400 (p90) REVERT: B5 13 GLU cc_start: 0.8310 (tt0) cc_final: 0.8037 (tp30) REVERT: B5 70 ARG cc_start: 0.7190 (OUTLIER) cc_final: 0.6791 (mtp180) REVERT: B5 83 ARG cc_start: 0.8117 (ptt90) cc_final: 0.7830 (ptt180) REVERT: C6 75 LEU cc_start: 0.8968 (OUTLIER) cc_final: 0.8641 (tp) REVERT: D6 13 GLU cc_start: 0.8585 (OUTLIER) cc_final: 0.8187 (tp30) REVERT: D6 22 GLU cc_start: 0.7624 (OUTLIER) cc_final: 0.6964 (tm-30) REVERT: A7 7 GLU cc_start: 0.7925 (OUTLIER) cc_final: 0.7177 (mt-10) REVERT: A7 30 LYS cc_start: 0.8320 (OUTLIER) cc_final: 0.7989 (pmmt) REVERT: A7 65 LYS cc_start: 0.8301 (OUTLIER) cc_final: 0.7811 (ptpp) REVERT: B7 83 ARG cc_start: 0.8032 (OUTLIER) cc_final: 0.7666 (ptt90) REVERT: C7 34 ARG cc_start: 0.7861 (ttp-110) cc_final: 0.7540 (ttp-170) REVERT: D7 22 GLU cc_start: 0.7613 (OUTLIER) cc_final: 0.6879 (tm-30) REVERT: A8 7 GLU cc_start: 0.7989 (OUTLIER) cc_final: 0.7306 (mt-10) REVERT: A8 22 LYS cc_start: 0.8770 (OUTLIER) cc_final: 0.7497 (mppt) REVERT: A9 7 GLU cc_start: 0.7924 (OUTLIER) cc_final: 0.7125 (mm-30) REVERT: A9 22 LYS cc_start: 0.8894 (mptt) cc_final: 0.8508 (mmtt) REVERT: C9 75 LEU cc_start: 0.8919 (OUTLIER) cc_final: 0.8675 (tp) REVERT: D9 15 ARG cc_start: 0.8213 (mtm-85) cc_final: 0.7854 (mtt180) REVERT: D9 22 GLU cc_start: 0.7619 (OUTLIER) cc_final: 0.7156 (tp30) REVERT: D9 66 ASP cc_start: 0.7149 (OUTLIER) cc_final: 0.6809 (t70) REVERT: D9 69 GLU cc_start: 0.6933 (OUTLIER) cc_final: 0.6655 (pt0) outliers start: 612 outliers final: 212 residues processed: 3805 average time/residue: 2.7866 time to fit residues: 14097.4762 Evaluate side-chains 3989 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 436 poor density : 3553 time to evaluate : 12.057 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 2 LYS Chi-restraints excluded: chain AA residue 7 GLU Chi-restraints excluded: chain AA residue 8 LYS Chi-restraints excluded: chain AA residue 28 TRP Chi-restraints excluded: chain BA residue 70 ARG Chi-restraints excluded: chain CA residue 83 ARG Chi-restraints excluded: chain DA residue 27 MET Chi-restraints excluded: chain DA residue 69 GLU Chi-restraints excluded: chain AB residue 7 GLU Chi-restraints excluded: chain BB residue 75 LEU Chi-restraints excluded: chain CB residue 13 GLU Chi-restraints excluded: chain CB residue 75 LEU Chi-restraints excluded: chain DB residue 13 GLU Chi-restraints excluded: chain DB residue 22 GLU Chi-restraints excluded: chain DB residue 62 ARG Chi-restraints excluded: chain AC residue 7 GLU Chi-restraints excluded: chain AC residue 28 TRP Chi-restraints excluded: chain AC residue 30 LYS Chi-restraints excluded: chain AC residue 35 ARG Chi-restraints excluded: chain AC residue 65 LYS Chi-restraints excluded: chain BC residue 83 ARG Chi-restraints excluded: chain CC residue 84 VAL Chi-restraints excluded: chain DC residue 22 GLU Chi-restraints excluded: chain DC residue 66 ASP Chi-restraints excluded: chain DC residue 83 ARG Chi-restraints excluded: chain AD residue 7 GLU Chi-restraints excluded: chain AD residue 22 LYS Chi-restraints excluded: chain AD residue 28 TRP Chi-restraints excluded: chain DD residue 86 SER Chi-restraints excluded: chain AE residue 7 GLU Chi-restraints excluded: chain AE residue 30 LYS Chi-restraints excluded: chain AE residue 39 VAL Chi-restraints excluded: chain CE residue 69 GLU Chi-restraints excluded: chain CE residue 75 LEU Chi-restraints excluded: chain DE residue 22 GLU Chi-restraints excluded: chain DE residue 66 ASP Chi-restraints excluded: chain AF residue 7 GLU Chi-restraints excluded: chain AF residue 8 LYS Chi-restraints excluded: chain AF residue 28 TRP Chi-restraints excluded: chain BF residue 70 ARG Chi-restraints excluded: chain CF residue 83 ARG Chi-restraints excluded: chain DF residue 27 MET Chi-restraints excluded: chain DF residue 69 GLU Chi-restraints excluded: chain AG residue 7 GLU Chi-restraints excluded: chain AG residue 28 TRP Chi-restraints excluded: chain CG residue 13 GLU Chi-restraints excluded: chain CG residue 75 LEU Chi-restraints excluded: chain DG residue 13 GLU Chi-restraints excluded: chain DG residue 22 GLU Chi-restraints excluded: chain DG residue 62 ARG Chi-restraints excluded: chain AH residue 7 GLU Chi-restraints excluded: chain AH residue 28 TRP Chi-restraints excluded: chain AH residue 30 LYS Chi-restraints excluded: chain AH residue 35 ARG Chi-restraints excluded: chain AH residue 65 LYS Chi-restraints excluded: chain BH residue 83 ARG Chi-restraints excluded: chain DH residue 22 GLU Chi-restraints excluded: chain DH residue 38 ARG Chi-restraints excluded: chain DH residue 66 ASP Chi-restraints excluded: chain DH residue 83 ARG Chi-restraints excluded: chain AI residue 7 GLU Chi-restraints excluded: chain AI residue 22 LYS Chi-restraints excluded: chain AI residue 28 TRP Chi-restraints excluded: chain DI residue 66 ASP Chi-restraints excluded: chain AJ residue 7 GLU Chi-restraints excluded: chain AJ residue 30 LYS Chi-restraints excluded: chain AJ residue 39 VAL Chi-restraints excluded: chain CJ residue 69 GLU Chi-restraints excluded: chain CJ residue 75 LEU Chi-restraints excluded: chain DJ residue 22 GLU Chi-restraints excluded: chain DJ residue 66 ASP Chi-restraints excluded: chain DJ residue 69 GLU Chi-restraints excluded: chain AK residue 7 GLU Chi-restraints excluded: chain AK residue 8 LYS Chi-restraints excluded: chain AK residue 28 TRP Chi-restraints excluded: chain BK residue 70 ARG Chi-restraints excluded: chain CK residue 83 ARG Chi-restraints excluded: chain DK residue 27 MET Chi-restraints excluded: chain DK residue 69 GLU Chi-restraints excluded: chain AL residue 7 GLU Chi-restraints excluded: chain AL residue 28 TRP Chi-restraints excluded: chain CL residue 13 GLU Chi-restraints excluded: chain CL residue 75 LEU Chi-restraints excluded: chain DL residue 13 GLU Chi-restraints excluded: chain DL residue 22 GLU Chi-restraints excluded: chain DL residue 62 ARG Chi-restraints excluded: chain AM residue 7 GLU Chi-restraints excluded: chain AM residue 28 TRP Chi-restraints excluded: chain AM residue 30 LYS Chi-restraints excluded: chain AM residue 65 LYS Chi-restraints excluded: chain BM residue 83 ARG Chi-restraints excluded: chain DM residue 22 GLU Chi-restraints excluded: chain DM residue 38 ARG Chi-restraints excluded: chain DM residue 66 ASP Chi-restraints excluded: chain AN residue 7 GLU Chi-restraints excluded: chain AN residue 22 LYS Chi-restraints excluded: chain AN residue 28 TRP Chi-restraints excluded: chain DN residue 66 ASP Chi-restraints excluded: chain DN residue 86 SER Chi-restraints excluded: chain AO residue 7 GLU Chi-restraints excluded: chain AO residue 30 LYS Chi-restraints excluded: chain AO residue 39 VAL Chi-restraints excluded: chain CO residue 69 GLU Chi-restraints excluded: chain CO residue 75 LEU Chi-restraints excluded: chain CO residue 88 VAL Chi-restraints excluded: chain DO residue 22 GLU Chi-restraints excluded: chain DO residue 66 ASP Chi-restraints excluded: chain AP residue 2 LYS Chi-restraints excluded: chain AP residue 7 GLU Chi-restraints excluded: chain AP residue 8 LYS Chi-restraints excluded: chain AP residue 28 TRP Chi-restraints excluded: chain BP residue 70 ARG Chi-restraints excluded: chain CP residue 83 ARG Chi-restraints excluded: chain DP residue 27 MET Chi-restraints excluded: chain AQ residue 7 GLU Chi-restraints excluded: chain AQ residue 28 TRP Chi-restraints excluded: chain AQ residue 30 LYS Chi-restraints excluded: chain CQ residue 13 GLU Chi-restraints excluded: chain CQ residue 75 LEU Chi-restraints excluded: chain DQ residue 13 GLU Chi-restraints excluded: chain DQ residue 22 GLU Chi-restraints excluded: chain AR residue 7 GLU Chi-restraints excluded: chain AR residue 28 TRP Chi-restraints excluded: chain AR residue 35 ARG Chi-restraints excluded: chain AR residue 65 LYS Chi-restraints excluded: chain BR residue 83 ARG Chi-restraints excluded: chain CR residue 84 VAL Chi-restraints excluded: chain DR residue 22 GLU Chi-restraints excluded: chain DR residue 66 ASP Chi-restraints excluded: chain DR residue 83 ARG Chi-restraints excluded: chain AS residue 7 GLU Chi-restraints excluded: chain AS residue 22 LYS Chi-restraints excluded: chain AS residue 28 TRP Chi-restraints excluded: chain DS residue 66 ASP Chi-restraints excluded: chain AT residue 7 GLU Chi-restraints excluded: chain AT residue 30 LYS Chi-restraints excluded: chain AT residue 39 VAL Chi-restraints excluded: chain CT residue 69 GLU Chi-restraints excluded: chain CT residue 75 LEU Chi-restraints excluded: chain CT residue 88 VAL Chi-restraints excluded: chain DT residue 22 GLU Chi-restraints excluded: chain DT residue 66 ASP Chi-restraints excluded: chain DT residue 69 GLU Chi-restraints excluded: chain AV residue 7 GLU Chi-restraints excluded: chain AV residue 28 TRP Chi-restraints excluded: chain BV residue 70 ARG Chi-restraints excluded: chain CV residue 83 ARG Chi-restraints excluded: chain DV residue 27 MET Chi-restraints excluded: chain DV residue 69 GLU Chi-restraints excluded: chain AW residue 7 GLU Chi-restraints excluded: chain AW residue 28 TRP Chi-restraints excluded: chain BW residue 75 LEU Chi-restraints excluded: chain CW residue 13 GLU Chi-restraints excluded: chain CW residue 75 LEU Chi-restraints excluded: chain DW residue 13 GLU Chi-restraints excluded: chain DW residue 22 GLU Chi-restraints excluded: chain AX residue 7 GLU Chi-restraints excluded: chain AX residue 28 TRP Chi-restraints excluded: chain AX residue 30 LYS Chi-restraints excluded: chain AX residue 35 ARG Chi-restraints excluded: chain AX residue 65 LYS Chi-restraints excluded: chain BX residue 83 ARG Chi-restraints excluded: chain CX residue 84 VAL Chi-restraints excluded: chain DX residue 22 GLU Chi-restraints excluded: chain DX residue 66 ASP Chi-restraints excluded: chain DX residue 83 ARG Chi-restraints excluded: chain AY residue 7 GLU Chi-restraints excluded: chain AY residue 22 LYS Chi-restraints excluded: chain AY residue 28 TRP Chi-restraints excluded: chain DY residue 66 ASP Chi-restraints excluded: chain DY residue 86 SER Chi-restraints excluded: chain AZ residue 7 GLU Chi-restraints excluded: chain AZ residue 30 LYS Chi-restraints excluded: chain AZ residue 39 VAL Chi-restraints excluded: chain CZ residue 69 GLU Chi-restraints excluded: chain CZ residue 75 LEU Chi-restraints excluded: chain CZ residue 84 VAL Chi-restraints excluded: chain CZ residue 88 VAL Chi-restraints excluded: chain DZ residue 22 GLU Chi-restraints excluded: chain DZ residue 66 ASP Chi-restraints excluded: chain Aa residue 2 LYS Chi-restraints excluded: chain Aa residue 7 GLU Chi-restraints excluded: chain Aa residue 28 TRP Chi-restraints excluded: chain Ba residue 70 ARG Chi-restraints excluded: chain Ca residue 83 ARG Chi-restraints excluded: chain Da residue 27 MET Chi-restraints excluded: chain Da residue 69 GLU Chi-restraints excluded: chain Ab residue 7 GLU Chi-restraints excluded: chain Ab residue 65 LYS Chi-restraints excluded: chain Db residue 13 GLU Chi-restraints excluded: chain Db residue 22 GLU Chi-restraints excluded: chain Db residue 62 ARG Chi-restraints excluded: chain Ac residue 7 GLU Chi-restraints excluded: chain Ac residue 28 TRP Chi-restraints excluded: chain Ac residue 30 LYS Chi-restraints excluded: chain Ac residue 35 ARG Chi-restraints excluded: chain Ac residue 65 LYS Chi-restraints excluded: chain Bc residue 83 ARG Chi-restraints excluded: chain Cc residue 84 VAL Chi-restraints excluded: chain Dc residue 22 GLU Chi-restraints excluded: chain Dc residue 38 ARG Chi-restraints excluded: chain Dc residue 66 ASP Chi-restraints excluded: chain Dc residue 83 ARG Chi-restraints excluded: chain Ad residue 7 GLU Chi-restraints excluded: chain Ad residue 22 LYS Chi-restraints excluded: chain Ad residue 28 TRP Chi-restraints excluded: chain Dd residue 66 ASP Chi-restraints excluded: chain Dd residue 86 SER Chi-restraints excluded: chain Ae residue 7 GLU Chi-restraints excluded: chain Ae residue 30 LYS Chi-restraints excluded: chain Ae residue 39 VAL Chi-restraints excluded: chain Ce residue 69 GLU Chi-restraints excluded: chain Ce residue 75 LEU Chi-restraints excluded: chain Ce residue 84 VAL Chi-restraints excluded: chain Ce residue 88 VAL Chi-restraints excluded: chain De residue 22 GLU Chi-restraints excluded: chain De residue 66 ASP Chi-restraints excluded: chain De residue 69 GLU Chi-restraints excluded: chain Af residue 7 GLU Chi-restraints excluded: chain Af residue 28 TRP Chi-restraints excluded: chain Bf residue 70 ARG Chi-restraints excluded: chain Cf residue 83 ARG Chi-restraints excluded: chain Df residue 27 MET Chi-restraints excluded: chain Df residue 69 GLU Chi-restraints excluded: chain Ag residue 7 GLU Chi-restraints excluded: chain Ag residue 28 TRP Chi-restraints excluded: chain Bg residue 75 LEU Chi-restraints excluded: chain Cg residue 13 GLU Chi-restraints excluded: chain Cg residue 75 LEU Chi-restraints excluded: chain Dg residue 13 GLU Chi-restraints excluded: chain Dg residue 22 GLU Chi-restraints excluded: chain Dg residue 62 ARG Chi-restraints excluded: chain Ah residue 7 GLU Chi-restraints excluded: chain Ah residue 28 TRP Chi-restraints excluded: chain Ah residue 30 LYS Chi-restraints excluded: chain Ah residue 35 ARG Chi-restraints excluded: chain Ah residue 65 LYS Chi-restraints excluded: chain Bh residue 83 ARG Chi-restraints excluded: chain Dh residue 22 GLU Chi-restraints excluded: chain Dh residue 66 ASP Chi-restraints excluded: chain Dh residue 83 ARG Chi-restraints excluded: chain Ai residue 7 GLU Chi-restraints excluded: chain Ai residue 22 LYS Chi-restraints excluded: chain Ai residue 28 TRP Chi-restraints excluded: chain Di residue 66 ASP Chi-restraints excluded: chain Di residue 86 SER Chi-restraints excluded: chain Aj residue 7 GLU Chi-restraints excluded: chain Aj residue 30 LYS Chi-restraints excluded: chain Aj residue 39 VAL Chi-restraints excluded: chain Cj residue 69 GLU Chi-restraints excluded: chain Cj residue 70 ARG Chi-restraints excluded: chain Cj residue 75 LEU Chi-restraints excluded: chain Cj residue 88 VAL Chi-restraints excluded: chain Dj residue 22 GLU Chi-restraints excluded: chain Dj residue 66 ASP Chi-restraints excluded: chain Dj residue 69 GLU Chi-restraints excluded: chain Ak residue 2 LYS Chi-restraints excluded: chain Ak residue 7 GLU Chi-restraints excluded: chain Ak residue 28 TRP Chi-restraints excluded: chain Bk residue 70 ARG Chi-restraints excluded: chain Ck residue 83 ARG Chi-restraints excluded: chain Dk residue 27 MET Chi-restraints excluded: chain Dk residue 69 GLU Chi-restraints excluded: chain Al residue 7 GLU Chi-restraints excluded: chain Cl residue 75 LEU Chi-restraints excluded: chain Dl residue 13 GLU Chi-restraints excluded: chain Dl residue 22 GLU Chi-restraints excluded: chain Am residue 7 GLU Chi-restraints excluded: chain Am residue 28 TRP Chi-restraints excluded: chain Am residue 35 ARG Chi-restraints excluded: chain Am residue 65 LYS Chi-restraints excluded: chain Bm residue 83 ARG Chi-restraints excluded: chain Cm residue 84 VAL Chi-restraints excluded: chain Dm residue 22 GLU Chi-restraints excluded: chain Dm residue 66 ASP Chi-restraints excluded: chain Dm residue 83 ARG Chi-restraints excluded: chain An residue 7 GLU Chi-restraints excluded: chain An residue 22 LYS Chi-restraints excluded: chain An residue 28 TRP Chi-restraints excluded: chain An residue 30 LYS Chi-restraints excluded: chain Dn residue 66 ASP Chi-restraints excluded: chain Dn residue 86 SER Chi-restraints excluded: chain Ao residue 7 GLU Chi-restraints excluded: chain Ao residue 30 LYS Chi-restraints excluded: chain Ao residue 39 VAL Chi-restraints excluded: chain Co residue 69 GLU Chi-restraints excluded: chain Co residue 75 LEU Chi-restraints excluded: chain Co residue 84 VAL Chi-restraints excluded: chain Co residue 88 VAL Chi-restraints excluded: chain Do residue 22 GLU Chi-restraints excluded: chain Do residue 66 ASP Chi-restraints excluded: chain Do residue 69 GLU Chi-restraints excluded: chain Ap residue 2 LYS Chi-restraints excluded: chain Ap residue 7 GLU Chi-restraints excluded: chain Ap residue 28 TRP Chi-restraints excluded: chain Bp residue 70 ARG Chi-restraints excluded: chain Cp residue 83 ARG Chi-restraints excluded: chain Dp residue 27 MET Chi-restraints excluded: chain Dp residue 69 GLU Chi-restraints excluded: chain Aq residue 7 GLU Chi-restraints excluded: chain Aq residue 30 LYS Chi-restraints excluded: chain Aq residue 65 LYS Chi-restraints excluded: chain Bq residue 75 LEU Chi-restraints excluded: chain Dq residue 13 GLU Chi-restraints excluded: chain Dq residue 22 GLU Chi-restraints excluded: chain Ar residue 7 GLU Chi-restraints excluded: chain Ar residue 28 TRP Chi-restraints excluded: chain Ar residue 30 LYS Chi-restraints excluded: chain Ar residue 35 ARG Chi-restraints excluded: chain Ar residue 65 LYS Chi-restraints excluded: chain Br residue 83 ARG Chi-restraints excluded: chain Dr residue 22 GLU Chi-restraints excluded: chain Dr residue 38 ARG Chi-restraints excluded: chain Dr residue 66 ASP Chi-restraints excluded: chain Dr residue 83 ARG Chi-restraints excluded: chain As residue 7 GLU Chi-restraints excluded: chain As residue 22 LYS Chi-restraints excluded: chain As residue 28 TRP Chi-restraints excluded: chain Ds residue 66 ASP Chi-restraints excluded: chain Ds residue 86 SER Chi-restraints excluded: chain At residue 7 GLU Chi-restraints excluded: chain At residue 30 LYS Chi-restraints excluded: chain At residue 39 VAL Chi-restraints excluded: chain Ct residue 69 GLU Chi-restraints excluded: chain Ct residue 75 LEU Chi-restraints excluded: chain Ct residue 84 VAL Chi-restraints excluded: chain Ct residue 88 VAL Chi-restraints excluded: chain Dt residue 22 GLU Chi-restraints excluded: chain Dt residue 66 ASP Chi-restraints excluded: chain Dt residue 69 GLU Chi-restraints excluded: chain Av residue 2 LYS Chi-restraints excluded: chain Av residue 7 GLU Chi-restraints excluded: chain Av residue 28 TRP Chi-restraints excluded: chain Bv residue 70 ARG Chi-restraints excluded: chain Cv residue 83 ARG Chi-restraints excluded: chain Dv residue 27 MET Chi-restraints excluded: chain Dv residue 69 GLU Chi-restraints excluded: chain Aw residue 7 GLU Chi-restraints excluded: chain Aw residue 28 TRP Chi-restraints excluded: chain Cw residue 13 GLU Chi-restraints excluded: chain Cw residue 75 LEU Chi-restraints excluded: chain Dw residue 13 GLU Chi-restraints excluded: chain Dw residue 22 GLU Chi-restraints excluded: chain Ax residue 7 GLU Chi-restraints excluded: chain Ax residue 28 TRP Chi-restraints excluded: chain Ax residue 30 LYS Chi-restraints excluded: chain Ax residue 35 ARG Chi-restraints excluded: chain Ax residue 65 LYS Chi-restraints excluded: chain Bx residue 83 ARG Chi-restraints excluded: chain Cx residue 84 VAL Chi-restraints excluded: chain Dx residue 22 GLU Chi-restraints excluded: chain Dx residue 38 ARG Chi-restraints excluded: chain Dx residue 66 ASP Chi-restraints excluded: chain Dx residue 83 ARG Chi-restraints excluded: chain Ay residue 7 GLU Chi-restraints excluded: chain Ay residue 22 LYS Chi-restraints excluded: chain Ay residue 28 TRP Chi-restraints excluded: chain Az residue 7 GLU Chi-restraints excluded: chain Az residue 30 LYS Chi-restraints excluded: chain Az residue 65 LYS Chi-restraints excluded: chain Cz residue 69 GLU Chi-restraints excluded: chain Cz residue 75 LEU Chi-restraints excluded: chain Cz residue 84 VAL Chi-restraints excluded: chain Cz residue 88 VAL Chi-restraints excluded: chain Dz residue 22 GLU Chi-restraints excluded: chain Dz residue 66 ASP Chi-restraints excluded: chain Dz residue 69 GLU Chi-restraints excluded: chain A0 residue 2 LYS Chi-restraints excluded: chain A0 residue 7 GLU Chi-restraints excluded: chain A0 residue 8 LYS Chi-restraints excluded: chain A0 residue 28 TRP Chi-restraints excluded: chain B0 residue 70 ARG Chi-restraints excluded: chain C0 residue 83 ARG Chi-restraints excluded: chain D0 residue 27 MET Chi-restraints excluded: chain D0 residue 69 GLU Chi-restraints excluded: chain A1 residue 7 GLU Chi-restraints excluded: chain A1 residue 28 TRP Chi-restraints excluded: chain C1 residue 75 LEU Chi-restraints excluded: chain D1 residue 13 GLU Chi-restraints excluded: chain D1 residue 22 GLU Chi-restraints excluded: chain A2 residue 7 GLU Chi-restraints excluded: chain A2 residue 28 TRP Chi-restraints excluded: chain A2 residue 35 ARG Chi-restraints excluded: chain A2 residue 65 LYS Chi-restraints excluded: chain C2 residue 84 VAL Chi-restraints excluded: chain D2 residue 22 GLU Chi-restraints excluded: chain D2 residue 38 ARG Chi-restraints excluded: chain D2 residue 66 ASP Chi-restraints excluded: chain D2 residue 83 ARG Chi-restraints excluded: chain A3 residue 7 GLU Chi-restraints excluded: chain A3 residue 22 LYS Chi-restraints excluded: chain A3 residue 28 TRP Chi-restraints excluded: chain D3 residue 86 SER Chi-restraints excluded: chain A4 residue 7 GLU Chi-restraints excluded: chain A4 residue 30 LYS Chi-restraints excluded: chain A4 residue 39 VAL Chi-restraints excluded: chain B4 residue 83 ARG Chi-restraints excluded: chain C4 residue 69 GLU Chi-restraints excluded: chain C4 residue 75 LEU Chi-restraints excluded: chain C4 residue 84 VAL Chi-restraints excluded: chain C4 residue 88 VAL Chi-restraints excluded: chain D4 residue 22 GLU Chi-restraints excluded: chain D4 residue 66 ASP Chi-restraints excluded: chain A5 residue 7 GLU Chi-restraints excluded: chain A5 residue 28 TRP Chi-restraints excluded: chain B5 residue 70 ARG Chi-restraints excluded: chain C5 residue 83 ARG Chi-restraints excluded: chain D5 residue 27 MET Chi-restraints excluded: chain D5 residue 69 GLU Chi-restraints excluded: chain A6 residue 7 GLU Chi-restraints excluded: chain A6 residue 28 TRP Chi-restraints excluded: chain C6 residue 75 LEU Chi-restraints excluded: chain D6 residue 13 GLU Chi-restraints excluded: chain D6 residue 22 GLU Chi-restraints excluded: chain A7 residue 7 GLU Chi-restraints excluded: chain A7 residue 28 TRP Chi-restraints excluded: chain A7 residue 30 LYS Chi-restraints excluded: chain A7 residue 35 ARG Chi-restraints excluded: chain A7 residue 65 LYS Chi-restraints excluded: chain B7 residue 83 ARG Chi-restraints excluded: chain C7 residue 84 VAL Chi-restraints excluded: chain D7 residue 22 GLU Chi-restraints excluded: chain D7 residue 66 ASP Chi-restraints excluded: chain A8 residue 7 GLU Chi-restraints excluded: chain A8 residue 22 LYS Chi-restraints excluded: chain A8 residue 28 TRP Chi-restraints excluded: chain D8 residue 66 ASP Chi-restraints excluded: chain D8 residue 86 SER Chi-restraints excluded: chain A9 residue 7 GLU Chi-restraints excluded: chain A9 residue 30 LYS Chi-restraints excluded: chain A9 residue 39 VAL Chi-restraints excluded: chain C9 residue 69 GLU Chi-restraints excluded: chain C9 residue 75 LEU Chi-restraints excluded: chain D9 residue 22 GLU Chi-restraints excluded: chain D9 residue 66 ASP Chi-restraints excluded: chain D9 residue 69 GLU Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1545 optimal weight: 10.0000 chunk 1053 optimal weight: 9.9990 chunk 26 optimal weight: 20.0000 chunk 1381 optimal weight: 4.9990 chunk 765 optimal weight: 20.0000 chunk 1583 optimal weight: 5.9990 chunk 1282 optimal weight: 9.9990 chunk 2 optimal weight: 5.9990 chunk 947 optimal weight: 20.0000 chunk 1665 optimal weight: 0.0570 chunk 468 optimal weight: 20.0000 overall best weight: 5.4106 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: BC 58 ASN CC 58 ASN CD 58 ASN CH 58 ASN DH 39 GLN CI 58 ASN CL 58 ASN CM 58 ASN DM 39 GLN CN 58 ASN CP 85 HIS CR 58 ASN CS 58 ASN CX 58 ASN CY 58 ASN Cc 58 ASN Dc 39 GLN Cd 58 ASN Bh 58 ASN Ch 58 ASN Ci 58 ASN Bm 58 ASN Cn 58 ASN Br 58 ASN Cr 58 ASN Cs 58 ASN Cw 58 ASN Bx 58 ASN Cx 58 ASN Cy 58 ASN B2 58 ASN C2 58 ASN C3 58 ASN C6 58 ASN B7 58 ASN C7 58 ASN C8 58 ASN Total number of N/Q/H flips: 37 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8397 moved from start: 0.1495 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.034 151920 Z= 0.255 Angle : 0.630 8.676 205800 Z= 0.331 Chirality : 0.045 0.135 24900 Planarity : 0.004 0.032 26760 Dihedral : 4.926 21.460 22260 Min Nonbonded Distance : 2.120 Molprobity Statistics. All-atom Clashscore : 5.44 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.18 % Favored : 97.82 % Rotamer: Outliers : 3.90 % Allowed : 22.68 % Favored : 73.42 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.51 (0.06), residues: 20340 helix: 0.91 (0.07), residues: 6240 sheet: 0.79 (0.07), residues: 6180 loop : -0.39 (0.07), residues: 7920 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.048 0.003 TRPAg 28 HIS 0.003 0.001 HISBt 79 PHE 0.007 0.001 PHEDO 40 TYR 0.008 0.001 TYRBR 45 ARG 0.004 0.000 ARGCG 70 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4152 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 580 poor density : 3572 time to evaluate : 11.669 Fit side-chains REVERT: AA 8 LYS cc_start: 0.8449 (OUTLIER) cc_final: 0.8234 (pttm) REVERT: AA 28 TRP cc_start: 0.8647 (OUTLIER) cc_final: 0.7709 (p90) REVERT: AA 65 LYS cc_start: 0.8355 (OUTLIER) cc_final: 0.8154 (ptpp) REVERT: BA 13 GLU cc_start: 0.8325 (tt0) cc_final: 0.8057 (tp30) REVERT: CA 34 ARG cc_start: 0.7792 (ttm110) cc_final: 0.7500 (ttp-170) REVERT: AB 7 GLU cc_start: 0.7898 (OUTLIER) cc_final: 0.7148 (mt-10) REVERT: BB 75 LEU cc_start: 0.8805 (OUTLIER) cc_final: 0.8540 (tp) REVERT: CB 75 LEU cc_start: 0.8916 (OUTLIER) cc_final: 0.8602 (tp) REVERT: DB 13 GLU cc_start: 0.8564 (OUTLIER) cc_final: 0.8154 (tp30) REVERT: DB 22 GLU cc_start: 0.7580 (OUTLIER) cc_final: 0.6908 (tm-30) REVERT: AC 7 GLU cc_start: 0.7896 (OUTLIER) cc_final: 0.7154 (mt-10) REVERT: AC 65 LYS cc_start: 0.8246 (OUTLIER) cc_final: 0.7786 (ptpp) REVERT: BC 83 ARG cc_start: 0.8034 (OUTLIER) cc_final: 0.7759 (ptt90) REVERT: CC 34 ARG cc_start: 0.7846 (ttp-110) cc_final: 0.7525 (ttp-170) REVERT: DC 22 GLU cc_start: 0.7523 (OUTLIER) cc_final: 0.6784 (tm-30) REVERT: AD 7 GLU cc_start: 0.7928 (OUTLIER) cc_final: 0.7225 (mt-10) REVERT: AD 22 LYS cc_start: 0.8794 (OUTLIER) cc_final: 0.7539 (mppt) REVERT: AE 22 LYS cc_start: 0.8893 (mptt) cc_final: 0.8520 (mmtt) REVERT: CE 75 LEU cc_start: 0.8873 (OUTLIER) cc_final: 0.8654 (tp) REVERT: DE 22 GLU cc_start: 0.7546 (OUTLIER) cc_final: 0.7045 (tp30) REVERT: AF 7 GLU cc_start: 0.7907 (OUTLIER) cc_final: 0.7103 (mm-30) REVERT: AF 8 LYS cc_start: 0.8491 (OUTLIER) cc_final: 0.8281 (pttm) REVERT: AF 28 TRP cc_start: 0.8631 (OUTLIER) cc_final: 0.7279 (p90) REVERT: BF 13 GLU cc_start: 0.8314 (tt0) cc_final: 0.8051 (tp30) REVERT: BF 70 ARG cc_start: 0.7104 (OUTLIER) cc_final: 0.6686 (mtp180) REVERT: BF 83 ARG cc_start: 0.8034 (ptt90) cc_final: 0.7724 (ptt180) REVERT: CF 34 ARG cc_start: 0.7784 (ttm110) cc_final: 0.7499 (ttp-170) REVERT: AG 7 GLU cc_start: 0.7837 (OUTLIER) cc_final: 0.6862 (mt-10) REVERT: BG 75 LEU cc_start: 0.8827 (OUTLIER) cc_final: 0.8572 (tp) REVERT: DG 13 GLU cc_start: 0.8560 (OUTLIER) cc_final: 0.8143 (tp30) REVERT: DG 22 GLU cc_start: 0.7580 (OUTLIER) cc_final: 0.6903 (tm-30) REVERT: AH 7 GLU cc_start: 0.7880 (OUTLIER) cc_final: 0.7111 (mt-10) REVERT: AH 65 LYS cc_start: 0.8247 (OUTLIER) cc_final: 0.7780 (ptpp) REVERT: CH 34 ARG cc_start: 0.7816 (ttp-110) cc_final: 0.7518 (ttp-170) REVERT: DH 22 GLU cc_start: 0.7525 (OUTLIER) cc_final: 0.6798 (tm-30) REVERT: AI 7 GLU cc_start: 0.7922 (OUTLIER) cc_final: 0.7260 (mt-10) REVERT: AI 22 LYS cc_start: 0.8793 (OUTLIER) cc_final: 0.7526 (mppt) REVERT: AI 60 GLU cc_start: 0.7691 (tp30) cc_final: 0.7434 (tp30) REVERT: AJ 22 LYS cc_start: 0.8880 (mptt) cc_final: 0.8515 (mmtt) REVERT: CJ 75 LEU cc_start: 0.8871 (OUTLIER) cc_final: 0.8651 (tp) REVERT: DJ 22 GLU cc_start: 0.7541 (OUTLIER) cc_final: 0.7043 (tp30) REVERT: AK 8 LYS cc_start: 0.8456 (OUTLIER) cc_final: 0.8246 (pttm) REVERT: AK 28 TRP cc_start: 0.8645 (OUTLIER) cc_final: 0.7665 (p90) REVERT: BK 13 GLU cc_start: 0.8311 (tt0) cc_final: 0.8047 (tp30) REVERT: BK 70 ARG cc_start: 0.7112 (OUTLIER) cc_final: 0.6690 (mtp180) REVERT: BK 83 ARG cc_start: 0.8033 (ptt90) cc_final: 0.7723 (ptt180) REVERT: CK 34 ARG cc_start: 0.7778 (ttm110) cc_final: 0.7480 (ttp-170) REVERT: BL 75 LEU cc_start: 0.8813 (OUTLIER) cc_final: 0.8560 (tp) REVERT: DL 13 GLU cc_start: 0.8562 (OUTLIER) cc_final: 0.8158 (tp30) REVERT: DL 22 GLU cc_start: 0.7581 (OUTLIER) cc_final: 0.6907 (tm-30) REVERT: AM 7 GLU cc_start: 0.7948 (OUTLIER) cc_final: 0.7222 (mt-10) REVERT: AM 30 LYS cc_start: 0.8289 (OUTLIER) cc_final: 0.8021 (pmmt) REVERT: AM 65 LYS cc_start: 0.8267 (OUTLIER) cc_final: 0.7795 (ptpp) REVERT: BM 83 ARG cc_start: 0.8026 (OUTLIER) cc_final: 0.7751 (ptt90) REVERT: CM 34 ARG cc_start: 0.7822 (ttp-110) cc_final: 0.7514 (ttp-170) REVERT: DM 22 GLU cc_start: 0.7529 (OUTLIER) cc_final: 0.6788 (tm-30) REVERT: AN 4 MET cc_start: 0.8149 (OUTLIER) cc_final: 0.7526 (mmm) REVERT: AN 7 GLU cc_start: 0.7952 (OUTLIER) cc_final: 0.7212 (mt-10) REVERT: AN 22 LYS cc_start: 0.8787 (OUTLIER) cc_final: 0.7542 (mppt) REVERT: AO 22 LYS cc_start: 0.8880 (mptt) cc_final: 0.8509 (mmtt) REVERT: CO 75 LEU cc_start: 0.8880 (OUTLIER) cc_final: 0.8663 (tp) REVERT: DO 22 GLU cc_start: 0.7545 (OUTLIER) cc_final: 0.7034 (tp30) REVERT: AP 7 GLU cc_start: 0.7867 (OUTLIER) cc_final: 0.7058 (mt-10) REVERT: AP 8 LYS cc_start: 0.8564 (OUTLIER) cc_final: 0.8305 (pttm) REVERT: AP 28 TRP cc_start: 0.8629 (OUTLIER) cc_final: 0.7369 (p90) REVERT: AP 65 LYS cc_start: 0.8358 (OUTLIER) cc_final: 0.8154 (ptpp) REVERT: BP 13 GLU cc_start: 0.8345 (tt0) cc_final: 0.8097 (tp30) REVERT: CP 34 ARG cc_start: 0.7781 (ttm110) cc_final: 0.7484 (ttp-170) REVERT: AQ 30 LYS cc_start: 0.8189 (OUTLIER) cc_final: 0.7881 (pmmt) REVERT: BQ 75 LEU cc_start: 0.8833 (OUTLIER) cc_final: 0.8585 (tp) REVERT: CQ 75 LEU cc_start: 0.8909 (OUTLIER) cc_final: 0.8622 (tp) REVERT: DQ 13 GLU cc_start: 0.8593 (OUTLIER) cc_final: 0.8191 (tp30) REVERT: DQ 22 GLU cc_start: 0.7556 (OUTLIER) cc_final: 0.6916 (tm-30) REVERT: AR 7 GLU cc_start: 0.7918 (OUTLIER) cc_final: 0.7170 (mt-10) REVERT: AR 65 LYS cc_start: 0.8244 (OUTLIER) cc_final: 0.7780 (ptpp) REVERT: CR 34 ARG cc_start: 0.7824 (ttp-110) cc_final: 0.7501 (ttp-170) REVERT: DR 22 GLU cc_start: 0.7519 (OUTLIER) cc_final: 0.6796 (tm-30) REVERT: AS 7 GLU cc_start: 0.7931 (OUTLIER) cc_final: 0.7227 (mt-10) REVERT: AS 22 LYS cc_start: 0.8789 (OUTLIER) cc_final: 0.7509 (mppt) REVERT: AT 22 LYS cc_start: 0.8886 (mptt) cc_final: 0.8513 (mmtt) REVERT: CT 75 LEU cc_start: 0.8874 (OUTLIER) cc_final: 0.8655 (tp) REVERT: DT 22 GLU cc_start: 0.7546 (OUTLIER) cc_final: 0.7042 (tp30) REVERT: AV 7 GLU cc_start: 0.7918 (OUTLIER) cc_final: 0.7081 (mt-10) REVERT: AV 28 TRP cc_start: 0.8639 (OUTLIER) cc_final: 0.7283 (p90) REVERT: BV 13 GLU cc_start: 0.8294 (tt0) cc_final: 0.8049 (tp30) REVERT: BV 70 ARG cc_start: 0.7137 (OUTLIER) cc_final: 0.6721 (mtp180) REVERT: CV 34 ARG cc_start: 0.7805 (ttm110) cc_final: 0.7493 (ttp-170) REVERT: BW 75 LEU cc_start: 0.8832 (OUTLIER) cc_final: 0.8572 (tp) REVERT: CW 75 LEU cc_start: 0.8936 (OUTLIER) cc_final: 0.8638 (tp) REVERT: DW 13 GLU cc_start: 0.8613 (OUTLIER) cc_final: 0.8201 (tp30) REVERT: DW 22 GLU cc_start: 0.7538 (OUTLIER) cc_final: 0.6884 (tm-30) REVERT: AX 7 GLU cc_start: 0.7889 (OUTLIER) cc_final: 0.7167 (mt-10) REVERT: AX 65 LYS cc_start: 0.8254 (OUTLIER) cc_final: 0.7792 (ptpp) REVERT: BX 83 ARG cc_start: 0.8085 (OUTLIER) cc_final: 0.7812 (ptt90) REVERT: CX 34 ARG cc_start: 0.7843 (ttp-110) cc_final: 0.7502 (ttp-170) REVERT: DX 22 GLU cc_start: 0.7503 (OUTLIER) cc_final: 0.6746 (tm-30) REVERT: AY 7 GLU cc_start: 0.7977 (OUTLIER) cc_final: 0.7268 (mt-10) REVERT: AY 22 LYS cc_start: 0.8764 (OUTLIER) cc_final: 0.7543 (mppt) REVERT: AZ 22 LYS cc_start: 0.8874 (mptt) cc_final: 0.8500 (mmtt) REVERT: CZ 75 LEU cc_start: 0.8883 (OUTLIER) cc_final: 0.8665 (tp) REVERT: DZ 22 GLU cc_start: 0.7557 (OUTLIER) cc_final: 0.7050 (tp30) REVERT: Aa 28 TRP cc_start: 0.8633 (OUTLIER) cc_final: 0.7697 (p90) REVERT: Ba 13 GLU cc_start: 0.8324 (tt0) cc_final: 0.8081 (tp30) REVERT: Ba 70 ARG cc_start: 0.7102 (OUTLIER) cc_final: 0.6690 (mtp180) REVERT: Ca 34 ARG cc_start: 0.7801 (ttm110) cc_final: 0.7501 (ttp-170) REVERT: Ab 7 GLU cc_start: 0.7811 (OUTLIER) cc_final: 0.7023 (mt-10) REVERT: Ab 30 LYS cc_start: 0.8116 (OUTLIER) cc_final: 0.7792 (pmmt) REVERT: Bb 75 LEU cc_start: 0.8829 (OUTLIER) cc_final: 0.8590 (tp) REVERT: Cb 75 LEU cc_start: 0.8952 (OUTLIER) cc_final: 0.8643 (tp) REVERT: Db 13 GLU cc_start: 0.8566 (OUTLIER) cc_final: 0.8142 (tp30) REVERT: Db 22 GLU cc_start: 0.7558 (OUTLIER) cc_final: 0.6874 (tm-30) REVERT: Ac 7 GLU cc_start: 0.7924 (OUTLIER) cc_final: 0.7217 (mt-10) REVERT: Ac 65 LYS cc_start: 0.8249 (OUTLIER) cc_final: 0.7786 (ptpp) REVERT: Cc 34 ARG cc_start: 0.7837 (ttp-110) cc_final: 0.7519 (ttp-170) REVERT: Dc 22 GLU cc_start: 0.7518 (OUTLIER) cc_final: 0.6772 (tm-30) REVERT: Ad 7 GLU cc_start: 0.7995 (OUTLIER) cc_final: 0.7285 (mt-10) REVERT: Ad 22 LYS cc_start: 0.8778 (OUTLIER) cc_final: 0.7554 (mppt) REVERT: Ae 7 GLU cc_start: 0.7827 (OUTLIER) cc_final: 0.7010 (mm-30) REVERT: Ae 22 LYS cc_start: 0.8877 (mptt) cc_final: 0.8500 (mmtt) REVERT: Ce 75 LEU cc_start: 0.8879 (OUTLIER) cc_final: 0.8660 (tp) REVERT: De 22 GLU cc_start: 0.7544 (OUTLIER) cc_final: 0.7049 (tp30) REVERT: Af 7 GLU cc_start: 0.7761 (OUTLIER) cc_final: 0.6931 (mt-10) REVERT: Af 28 TRP cc_start: 0.8640 (OUTLIER) cc_final: 0.7435 (p90) REVERT: Bf 13 GLU cc_start: 0.8297 (tt0) cc_final: 0.8030 (tp30) REVERT: Cf 34 ARG cc_start: 0.7794 (ttm110) cc_final: 0.7490 (ttp-170) REVERT: Df 34 ARG cc_start: 0.8031 (OUTLIER) cc_final: 0.7371 (ptt-90) REVERT: Bg 75 LEU cc_start: 0.8831 (OUTLIER) cc_final: 0.8570 (tp) REVERT: Cg 75 LEU cc_start: 0.8931 (OUTLIER) cc_final: 0.8640 (tp) REVERT: Dg 13 GLU cc_start: 0.8598 (OUTLIER) cc_final: 0.8184 (tp30) REVERT: Dg 22 GLU cc_start: 0.7519 (OUTLIER) cc_final: 0.6867 (tm-30) REVERT: Ah 7 GLU cc_start: 0.7888 (OUTLIER) cc_final: 0.7159 (mt-10) REVERT: Ah 65 LYS cc_start: 0.8250 (OUTLIER) cc_final: 0.7799 (ptpp) REVERT: Bh 83 ARG cc_start: 0.8075 (OUTLIER) cc_final: 0.7800 (ptt90) REVERT: Ch 34 ARG cc_start: 0.7844 (ttp-110) cc_final: 0.7515 (ttp-170) REVERT: Dh 22 GLU cc_start: 0.7516 (OUTLIER) cc_final: 0.6757 (tm-30) REVERT: Ai 7 GLU cc_start: 0.7971 (OUTLIER) cc_final: 0.7255 (mt-10) REVERT: Ai 22 LYS cc_start: 0.8770 (OUTLIER) cc_final: 0.7543 (mppt) REVERT: Ai 60 GLU cc_start: 0.7688 (tp30) cc_final: 0.7488 (tp30) REVERT: Aj 22 LYS cc_start: 0.8874 (mptt) cc_final: 0.8494 (mmtt) REVERT: Cj 75 LEU cc_start: 0.8874 (OUTLIER) cc_final: 0.8663 (tp) REVERT: Dj 22 GLU cc_start: 0.7550 (OUTLIER) cc_final: 0.7051 (tp30) REVERT: Ak 28 TRP cc_start: 0.8626 (OUTLIER) cc_final: 0.7714 (p90) REVERT: Bk 13 GLU cc_start: 0.8308 (tt0) cc_final: 0.8047 (tp30) REVERT: Ck 34 ARG cc_start: 0.7806 (ttm110) cc_final: 0.7496 (ttp-170) REVERT: Dk 34 ARG cc_start: 0.8028 (OUTLIER) cc_final: 0.7368 (ptt-90) REVERT: Al 7 GLU cc_start: 0.7855 (OUTLIER) cc_final: 0.6940 (mt-10) REVERT: Al 30 LYS cc_start: 0.8266 (OUTLIER) cc_final: 0.7795 (pmmt) REVERT: Bl 75 LEU cc_start: 0.8837 (OUTLIER) cc_final: 0.8597 (tp) REVERT: Cl 75 LEU cc_start: 0.8939 (OUTLIER) cc_final: 0.8647 (tp) REVERT: Dl 13 GLU cc_start: 0.8600 (OUTLIER) cc_final: 0.8183 (tp30) REVERT: Dl 22 GLU cc_start: 0.7542 (OUTLIER) cc_final: 0.6900 (tm-30) REVERT: Am 7 GLU cc_start: 0.7882 (OUTLIER) cc_final: 0.7165 (mt-10) REVERT: Am 65 LYS cc_start: 0.8267 (OUTLIER) cc_final: 0.7804 (ptpp) REVERT: Bm 13 GLU cc_start: 0.8193 (tt0) cc_final: 0.7965 (tp30) REVERT: Cm 34 ARG cc_start: 0.7851 (ttp-110) cc_final: 0.7523 (ttp-170) REVERT: Dm 22 GLU cc_start: 0.7519 (OUTLIER) cc_final: 0.6771 (tm-30) REVERT: An 7 GLU cc_start: 0.7985 (OUTLIER) cc_final: 0.7272 (mt-10) REVERT: An 22 LYS cc_start: 0.8764 (OUTLIER) cc_final: 0.7533 (mppt) REVERT: Ao 7 GLU cc_start: 0.7833 (OUTLIER) cc_final: 0.7019 (mm-30) REVERT: Ao 22 LYS cc_start: 0.8876 (mptt) cc_final: 0.8496 (mmtt) REVERT: Co 75 LEU cc_start: 0.8877 (OUTLIER) cc_final: 0.8656 (tp) REVERT: Do 22 GLU cc_start: 0.7544 (OUTLIER) cc_final: 0.7053 (tp30) REVERT: Ap 28 TRP cc_start: 0.8643 (OUTLIER) cc_final: 0.7678 (p90) REVERT: Ap 65 LYS cc_start: 0.8344 (OUTLIER) cc_final: 0.8141 (ptpp) REVERT: Bp 13 GLU cc_start: 0.8334 (tt0) cc_final: 0.8081 (tp30) REVERT: Cp 34 ARG cc_start: 0.7795 (ttm110) cc_final: 0.7494 (ttp-170) REVERT: Aq 7 GLU cc_start: 0.7917 (OUTLIER) cc_final: 0.7175 (mt-10) REVERT: Aq 22 LYS cc_start: 0.8618 (mttt) cc_final: 0.8248 (mttt) REVERT: Aq 30 LYS cc_start: 0.8234 (OUTLIER) cc_final: 0.7929 (pmmt) REVERT: Aq 65 LYS cc_start: 0.8318 (OUTLIER) cc_final: 0.7869 (ptpp) REVERT: Bq 75 LEU cc_start: 0.8812 (OUTLIER) cc_final: 0.8533 (tp) REVERT: Cq 75 LEU cc_start: 0.8933 (OUTLIER) cc_final: 0.8613 (tp) REVERT: Dq 13 GLU cc_start: 0.8587 (OUTLIER) cc_final: 0.8175 (tp30) REVERT: Dq 22 GLU cc_start: 0.7564 (OUTLIER) cc_final: 0.6880 (tm-30) REVERT: Ar 7 GLU cc_start: 0.7881 (OUTLIER) cc_final: 0.7137 (mt-10) REVERT: Ar 65 LYS cc_start: 0.8258 (OUTLIER) cc_final: 0.7794 (ptpp) REVERT: Br 83 ARG cc_start: 0.8072 (OUTLIER) cc_final: 0.7797 (ptt90) REVERT: Cr 34 ARG cc_start: 0.7837 (ttp-110) cc_final: 0.7525 (ttp-170) REVERT: Dr 22 GLU cc_start: 0.7538 (OUTLIER) cc_final: 0.6797 (tm-30) REVERT: As 7 GLU cc_start: 0.7958 (OUTLIER) cc_final: 0.7240 (mt-10) REVERT: As 22 LYS cc_start: 0.8777 (OUTLIER) cc_final: 0.7511 (mppt) REVERT: At 7 GLU cc_start: 0.7847 (OUTLIER) cc_final: 0.7030 (mm-30) REVERT: At 22 LYS cc_start: 0.8886 (mptt) cc_final: 0.8507 (mmtt) REVERT: Ct 75 LEU cc_start: 0.8877 (OUTLIER) cc_final: 0.8666 (tp) REVERT: Dt 22 GLU cc_start: 0.7549 (OUTLIER) cc_final: 0.7031 (tp30) REVERT: Av 7 GLU cc_start: 0.7806 (OUTLIER) cc_final: 0.6924 (mt-10) REVERT: Av 28 TRP cc_start: 0.8623 (OUTLIER) cc_final: 0.7415 (p90) REVERT: Av 65 LYS cc_start: 0.8346 (OUTLIER) cc_final: 0.8143 (ptpp) REVERT: Bv 13 GLU cc_start: 0.8331 (tt0) cc_final: 0.8079 (tp30) REVERT: Cv 34 ARG cc_start: 0.7800 (ttm110) cc_final: 0.7495 (ttp-170) REVERT: Dv 34 ARG cc_start: 0.8035 (OUTLIER) cc_final: 0.7385 (ptt-90) REVERT: Bw 75 LEU cc_start: 0.8815 (OUTLIER) cc_final: 0.8536 (tp) REVERT: Dw 13 GLU cc_start: 0.8608 (OUTLIER) cc_final: 0.8202 (tp30) REVERT: Dw 22 GLU cc_start: 0.7550 (OUTLIER) cc_final: 0.6896 (tm-30) REVERT: Ax 7 GLU cc_start: 0.7883 (OUTLIER) cc_final: 0.7142 (mt-10) REVERT: Ax 65 LYS cc_start: 0.8247 (OUTLIER) cc_final: 0.7784 (ptpp) REVERT: Bx 83 ARG cc_start: 0.8056 (OUTLIER) cc_final: 0.7781 (ptt90) REVERT: Cx 34 ARG cc_start: 0.7839 (ttp-110) cc_final: 0.7532 (ttp-170) REVERT: Dx 22 GLU cc_start: 0.7537 (OUTLIER) cc_final: 0.6804 (tm-30) REVERT: Ay 7 GLU cc_start: 0.7962 (OUTLIER) cc_final: 0.7209 (mt-10) REVERT: Ay 22 LYS cc_start: 0.8771 (OUTLIER) cc_final: 0.7520 (mppt) REVERT: Az 7 GLU cc_start: 0.7828 (OUTLIER) cc_final: 0.7046 (mm-30) REVERT: Az 22 LYS cc_start: 0.8888 (mptt) cc_final: 0.8509 (mmtt) REVERT: Az 65 LYS cc_start: 0.8358 (OUTLIER) cc_final: 0.8015 (ptpp) REVERT: Cz 75 LEU cc_start: 0.8880 (OUTLIER) cc_final: 0.8666 (tp) REVERT: Dz 22 GLU cc_start: 0.7547 (OUTLIER) cc_final: 0.7041 (tp30) REVERT: A0 8 LYS cc_start: 0.8518 (OUTLIER) cc_final: 0.8276 (pttm) REVERT: A0 28 TRP cc_start: 0.8633 (OUTLIER) cc_final: 0.7709 (p90) REVERT: A0 65 LYS cc_start: 0.8348 (OUTLIER) cc_final: 0.8137 (ptpp) REVERT: B0 13 GLU cc_start: 0.8301 (tt0) cc_final: 0.8037 (tp30) REVERT: B0 70 ARG cc_start: 0.7112 (OUTLIER) cc_final: 0.6711 (mtp180) REVERT: C0 34 ARG cc_start: 0.7796 (ttm110) cc_final: 0.7488 (ttp-170) REVERT: B1 75 LEU cc_start: 0.8816 (OUTLIER) cc_final: 0.8538 (tp) REVERT: D1 13 GLU cc_start: 0.8573 (OUTLIER) cc_final: 0.8169 (tp30) REVERT: D1 22 GLU cc_start: 0.7561 (OUTLIER) cc_final: 0.6886 (tm-30) REVERT: A2 7 GLU cc_start: 0.7897 (OUTLIER) cc_final: 0.7160 (mt-10) REVERT: B2 13 GLU cc_start: 0.8178 (tt0) cc_final: 0.7955 (tp30) REVERT: C2 34 ARG cc_start: 0.7819 (ttp-110) cc_final: 0.7516 (ttp-170) REVERT: D2 22 GLU cc_start: 0.7538 (OUTLIER) cc_final: 0.6814 (tm-30) REVERT: A3 7 GLU cc_start: 0.7942 (OUTLIER) cc_final: 0.7173 (mt-10) REVERT: A3 22 LYS cc_start: 0.8762 (OUTLIER) cc_final: 0.7501 (mppt) REVERT: A4 7 GLU cc_start: 0.7850 (OUTLIER) cc_final: 0.7030 (mm-30) REVERT: A4 22 LYS cc_start: 0.8886 (mptt) cc_final: 0.8508 (mmtt) REVERT: C4 75 LEU cc_start: 0.8882 (OUTLIER) cc_final: 0.8669 (tp) REVERT: D4 22 GLU cc_start: 0.7549 (OUTLIER) cc_final: 0.7050 (tp30) REVERT: A5 28 TRP cc_start: 0.8627 (OUTLIER) cc_final: 0.7705 (p90) REVERT: B5 13 GLU cc_start: 0.8309 (tt0) cc_final: 0.8043 (tp30) REVERT: B5 83 ARG cc_start: 0.8043 (ptt90) cc_final: 0.7761 (ptt180) REVERT: C5 34 ARG cc_start: 0.7805 (ttm110) cc_final: 0.7489 (ttp-170) REVERT: B6 75 LEU cc_start: 0.8810 (OUTLIER) cc_final: 0.8532 (tp) REVERT: C6 75 LEU cc_start: 0.8927 (OUTLIER) cc_final: 0.8637 (tp) REVERT: D6 13 GLU cc_start: 0.8577 (OUTLIER) cc_final: 0.8170 (tp30) REVERT: D6 22 GLU cc_start: 0.7557 (OUTLIER) cc_final: 0.6878 (tm-30) REVERT: A7 7 GLU cc_start: 0.7884 (OUTLIER) cc_final: 0.7143 (mt-10) REVERT: A7 65 LYS cc_start: 0.8253 (OUTLIER) cc_final: 0.7791 (ptpp) REVERT: C7 34 ARG cc_start: 0.7853 (ttp-110) cc_final: 0.7532 (ttp-170) REVERT: D7 22 GLU cc_start: 0.7533 (OUTLIER) cc_final: 0.6806 (tm-30) REVERT: A8 7 GLU cc_start: 0.7965 (OUTLIER) cc_final: 0.7290 (mt-10) REVERT: A8 22 LYS cc_start: 0.8773 (OUTLIER) cc_final: 0.7524 (mppt) REVERT: A9 22 LYS cc_start: 0.8884 (mptt) cc_final: 0.8503 (mmtt) REVERT: C9 75 LEU cc_start: 0.8876 (OUTLIER) cc_final: 0.8660 (tp) REVERT: D9 22 GLU cc_start: 0.7543 (OUTLIER) cc_final: 0.7042 (tp30) outliers start: 580 outliers final: 252 residues processed: 3778 average time/residue: 2.8396 time to fit residues: 14224.2114 Evaluate side-chains 3972 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 438 poor density : 3534 time to evaluate : 10.862 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 8 LYS Chi-restraints excluded: chain AA residue 28 TRP Chi-restraints excluded: chain AA residue 65 LYS Chi-restraints excluded: chain CA residue 83 ARG Chi-restraints excluded: chain CA residue 88 VAL Chi-restraints excluded: chain DA residue 22 GLU Chi-restraints excluded: chain DA residue 27 MET Chi-restraints excluded: chain DA residue 48 VAL Chi-restraints excluded: chain DA residue 69 GLU Chi-restraints excluded: chain AB residue 7 GLU Chi-restraints excluded: chain BB residue 75 LEU Chi-restraints excluded: chain CB residue 13 GLU Chi-restraints excluded: chain CB residue 75 LEU Chi-restraints excluded: chain DB residue 13 GLU Chi-restraints excluded: chain DB residue 22 GLU Chi-restraints excluded: chain DB residue 48 VAL Chi-restraints excluded: chain AC residue 7 GLU Chi-restraints excluded: chain AC residue 28 TRP Chi-restraints excluded: chain AC residue 35 ARG Chi-restraints excluded: chain AC residue 65 LYS Chi-restraints excluded: chain BC residue 83 ARG Chi-restraints excluded: chain CC residue 84 VAL Chi-restraints excluded: chain DC residue 22 GLU Chi-restraints excluded: chain DC residue 66 ASP Chi-restraints excluded: chain AD residue 7 GLU Chi-restraints excluded: chain AD residue 22 LYS Chi-restraints excluded: chain AD residue 28 TRP Chi-restraints excluded: chain BD residue 75 LEU Chi-restraints excluded: chain DD residue 66 ASP Chi-restraints excluded: chain DD residue 86 SER Chi-restraints excluded: chain AE residue 30 LYS Chi-restraints excluded: chain CE residue 75 LEU Chi-restraints excluded: chain DE residue 22 GLU Chi-restraints excluded: chain DE residue 48 VAL Chi-restraints excluded: chain AF residue 7 GLU Chi-restraints excluded: chain AF residue 8 LYS Chi-restraints excluded: chain AF residue 28 TRP Chi-restraints excluded: chain BF residue 70 ARG Chi-restraints excluded: chain CF residue 83 ARG Chi-restraints excluded: chain CF residue 88 VAL Chi-restraints excluded: chain DF residue 27 MET Chi-restraints excluded: chain DF residue 48 VAL Chi-restraints excluded: chain DF residue 69 GLU Chi-restraints excluded: chain AG residue 7 GLU Chi-restraints excluded: chain AG residue 28 TRP Chi-restraints excluded: chain BG residue 75 LEU Chi-restraints excluded: chain CG residue 11 MET Chi-restraints excluded: chain CG residue 13 GLU Chi-restraints excluded: chain DG residue 13 GLU Chi-restraints excluded: chain DG residue 22 GLU Chi-restraints excluded: chain DG residue 48 VAL Chi-restraints excluded: chain AH residue 7 GLU Chi-restraints excluded: chain AH residue 28 TRP Chi-restraints excluded: chain AH residue 35 ARG Chi-restraints excluded: chain AH residue 65 LYS Chi-restraints excluded: chain DH residue 22 GLU Chi-restraints excluded: chain DH residue 38 ARG Chi-restraints excluded: chain DH residue 66 ASP Chi-restraints excluded: chain AI residue 7 GLU Chi-restraints excluded: chain AI residue 22 LYS Chi-restraints excluded: chain AI residue 28 TRP Chi-restraints excluded: chain BI residue 75 LEU Chi-restraints excluded: chain DI residue 66 ASP Chi-restraints excluded: chain AJ residue 30 LYS Chi-restraints excluded: chain CJ residue 75 LEU Chi-restraints excluded: chain DJ residue 22 GLU Chi-restraints excluded: chain DJ residue 48 VAL Chi-restraints excluded: chain AK residue 8 LYS Chi-restraints excluded: chain AK residue 28 TRP Chi-restraints excluded: chain BK residue 70 ARG Chi-restraints excluded: chain CK residue 83 ARG Chi-restraints excluded: chain CK residue 88 VAL Chi-restraints excluded: chain DK residue 22 GLU Chi-restraints excluded: chain DK residue 27 MET Chi-restraints excluded: chain DK residue 48 VAL Chi-restraints excluded: chain DK residue 69 GLU Chi-restraints excluded: chain AL residue 7 GLU Chi-restraints excluded: chain AL residue 28 TRP Chi-restraints excluded: chain BL residue 75 LEU Chi-restraints excluded: chain CL residue 11 MET Chi-restraints excluded: chain CL residue 13 GLU Chi-restraints excluded: chain DL residue 13 GLU Chi-restraints excluded: chain DL residue 22 GLU Chi-restraints excluded: chain DL residue 48 VAL Chi-restraints excluded: chain AM residue 7 GLU Chi-restraints excluded: chain AM residue 28 TRP Chi-restraints excluded: chain AM residue 30 LYS Chi-restraints excluded: chain AM residue 65 LYS Chi-restraints excluded: chain BM residue 83 ARG Chi-restraints excluded: chain DM residue 22 GLU Chi-restraints excluded: chain DM residue 38 ARG Chi-restraints excluded: chain DM residue 66 ASP Chi-restraints excluded: chain DM residue 83 ARG Chi-restraints excluded: chain AN residue 4 MET Chi-restraints excluded: chain AN residue 7 GLU Chi-restraints excluded: chain AN residue 22 LYS Chi-restraints excluded: chain AN residue 28 TRP Chi-restraints excluded: chain BN residue 75 LEU Chi-restraints excluded: chain DN residue 66 ASP Chi-restraints excluded: chain DN residue 86 SER Chi-restraints excluded: chain AO residue 30 LYS Chi-restraints excluded: chain CO residue 75 LEU Chi-restraints excluded: chain CO residue 88 VAL Chi-restraints excluded: chain DO residue 22 GLU Chi-restraints excluded: chain DO residue 48 VAL Chi-restraints excluded: chain AP residue 7 GLU Chi-restraints excluded: chain AP residue 8 LYS Chi-restraints excluded: chain AP residue 28 TRP Chi-restraints excluded: chain AP residue 65 LYS Chi-restraints excluded: chain CP residue 83 ARG Chi-restraints excluded: chain CP residue 88 VAL Chi-restraints excluded: chain DP residue 22 GLU Chi-restraints excluded: chain DP residue 27 MET Chi-restraints excluded: chain DP residue 48 VAL Chi-restraints excluded: chain DP residue 69 GLU Chi-restraints excluded: chain AQ residue 7 GLU Chi-restraints excluded: chain AQ residue 28 TRP Chi-restraints excluded: chain AQ residue 30 LYS Chi-restraints excluded: chain BQ residue 75 LEU Chi-restraints excluded: chain CQ residue 13 GLU Chi-restraints excluded: chain CQ residue 75 LEU Chi-restraints excluded: chain DQ residue 13 GLU Chi-restraints excluded: chain DQ residue 22 GLU Chi-restraints excluded: chain DQ residue 48 VAL Chi-restraints excluded: chain AR residue 7 GLU Chi-restraints excluded: chain AR residue 28 TRP Chi-restraints excluded: chain AR residue 35 ARG Chi-restraints excluded: chain AR residue 65 LYS Chi-restraints excluded: chain CR residue 84 VAL Chi-restraints excluded: chain DR residue 22 GLU Chi-restraints excluded: chain DR residue 66 ASP Chi-restraints excluded: chain AS residue 7 GLU Chi-restraints excluded: chain AS residue 22 LYS Chi-restraints excluded: chain AS residue 28 TRP Chi-restraints excluded: chain BS residue 75 LEU Chi-restraints excluded: chain DS residue 66 ASP Chi-restraints excluded: chain AT residue 30 LYS Chi-restraints excluded: chain BT residue 83 ARG Chi-restraints excluded: chain CT residue 75 LEU Chi-restraints excluded: chain CT residue 88 VAL Chi-restraints excluded: chain DT residue 22 GLU Chi-restraints excluded: chain AV residue 7 GLU Chi-restraints excluded: chain AV residue 28 TRP Chi-restraints excluded: chain BV residue 70 ARG Chi-restraints excluded: chain CV residue 83 ARG Chi-restraints excluded: chain CV residue 88 VAL Chi-restraints excluded: chain DV residue 27 MET Chi-restraints excluded: chain DV residue 48 VAL Chi-restraints excluded: chain DV residue 69 GLU Chi-restraints excluded: chain AW residue 7 GLU Chi-restraints excluded: chain AW residue 28 TRP Chi-restraints excluded: chain BW residue 75 LEU Chi-restraints excluded: chain CW residue 13 GLU Chi-restraints excluded: chain CW residue 75 LEU Chi-restraints excluded: chain DW residue 13 GLU Chi-restraints excluded: chain DW residue 22 GLU Chi-restraints excluded: chain DW residue 48 VAL Chi-restraints excluded: chain AX residue 7 GLU Chi-restraints excluded: chain AX residue 28 TRP Chi-restraints excluded: chain AX residue 35 ARG Chi-restraints excluded: chain AX residue 65 LYS Chi-restraints excluded: chain BX residue 83 ARG Chi-restraints excluded: chain CX residue 84 VAL Chi-restraints excluded: chain DX residue 22 GLU Chi-restraints excluded: chain DX residue 48 VAL Chi-restraints excluded: chain DX residue 66 ASP Chi-restraints excluded: chain AY residue 7 GLU Chi-restraints excluded: chain AY residue 22 LYS Chi-restraints excluded: chain AY residue 28 TRP Chi-restraints excluded: chain BY residue 75 LEU Chi-restraints excluded: chain DY residue 66 ASP Chi-restraints excluded: chain DY residue 86 SER Chi-restraints excluded: chain AZ residue 30 LYS Chi-restraints excluded: chain CZ residue 75 LEU Chi-restraints excluded: chain CZ residue 88 VAL Chi-restraints excluded: chain DZ residue 22 GLU Chi-restraints excluded: chain DZ residue 48 VAL Chi-restraints excluded: chain Aa residue 28 TRP Chi-restraints excluded: chain Ba residue 70 ARG Chi-restraints excluded: chain Ca residue 83 ARG Chi-restraints excluded: chain Ca residue 88 VAL Chi-restraints excluded: chain Da residue 22 GLU Chi-restraints excluded: chain Da residue 27 MET Chi-restraints excluded: chain Da residue 48 VAL Chi-restraints excluded: chain Da residue 69 GLU Chi-restraints excluded: chain Ab residue 7 GLU Chi-restraints excluded: chain Ab residue 30 LYS Chi-restraints excluded: chain Bb residue 75 LEU Chi-restraints excluded: chain Cb residue 11 MET Chi-restraints excluded: chain Cb residue 13 GLU Chi-restraints excluded: chain Cb residue 75 LEU Chi-restraints excluded: chain Db residue 13 GLU Chi-restraints excluded: chain Db residue 22 GLU Chi-restraints excluded: chain Db residue 48 VAL Chi-restraints excluded: chain Ac residue 7 GLU Chi-restraints excluded: chain Ac residue 28 TRP Chi-restraints excluded: chain Ac residue 35 ARG Chi-restraints excluded: chain Ac residue 65 LYS Chi-restraints excluded: chain Cc residue 84 VAL Chi-restraints excluded: chain Dc residue 22 GLU Chi-restraints excluded: chain Dc residue 38 ARG Chi-restraints excluded: chain Dc residue 66 ASP Chi-restraints excluded: chain Dc residue 83 ARG Chi-restraints excluded: chain Ad residue 7 GLU Chi-restraints excluded: chain Ad residue 22 LYS Chi-restraints excluded: chain Ad residue 28 TRP Chi-restraints excluded: chain Bd residue 75 LEU Chi-restraints excluded: chain Dd residue 66 ASP Chi-restraints excluded: chain Dd residue 86 SER Chi-restraints excluded: chain Ae residue 7 GLU Chi-restraints excluded: chain Ae residue 30 LYS Chi-restraints excluded: chain Ce residue 75 LEU Chi-restraints excluded: chain Ce residue 88 VAL Chi-restraints excluded: chain De residue 22 GLU Chi-restraints excluded: chain De residue 48 VAL Chi-restraints excluded: chain Af residue 7 GLU Chi-restraints excluded: chain Af residue 28 TRP Chi-restraints excluded: chain Cf residue 83 ARG Chi-restraints excluded: chain Cf residue 88 VAL Chi-restraints excluded: chain Df residue 22 GLU Chi-restraints excluded: chain Df residue 27 MET Chi-restraints excluded: chain Df residue 34 ARG Chi-restraints excluded: chain Df residue 48 VAL Chi-restraints excluded: chain Df residue 69 GLU Chi-restraints excluded: chain Ag residue 7 GLU Chi-restraints excluded: chain Ag residue 28 TRP Chi-restraints excluded: chain Bg residue 75 LEU Chi-restraints excluded: chain Cg residue 11 MET Chi-restraints excluded: chain Cg residue 13 GLU Chi-restraints excluded: chain Cg residue 75 LEU Chi-restraints excluded: chain Dg residue 13 GLU Chi-restraints excluded: chain Dg residue 22 GLU Chi-restraints excluded: chain Dg residue 48 VAL Chi-restraints excluded: chain Ah residue 7 GLU Chi-restraints excluded: chain Ah residue 28 TRP Chi-restraints excluded: chain Ah residue 35 ARG Chi-restraints excluded: chain Ah residue 65 LYS Chi-restraints excluded: chain Bh residue 83 ARG Chi-restraints excluded: chain Dh residue 22 GLU Chi-restraints excluded: chain Dh residue 66 ASP Chi-restraints excluded: chain Ai residue 7 GLU Chi-restraints excluded: chain Ai residue 22 LYS Chi-restraints excluded: chain Ai residue 28 TRP Chi-restraints excluded: chain Bi residue 75 LEU Chi-restraints excluded: chain Di residue 86 SER Chi-restraints excluded: chain Aj residue 30 LYS Chi-restraints excluded: chain Cj residue 69 GLU Chi-restraints excluded: chain Cj residue 70 ARG Chi-restraints excluded: chain Cj residue 75 LEU Chi-restraints excluded: chain Cj residue 88 VAL Chi-restraints excluded: chain Dj residue 22 GLU Chi-restraints excluded: chain Dj residue 48 VAL Chi-restraints excluded: chain Ak residue 2 LYS Chi-restraints excluded: chain Ak residue 28 TRP Chi-restraints excluded: chain Ck residue 83 ARG Chi-restraints excluded: chain Ck residue 88 VAL Chi-restraints excluded: chain Dk residue 22 GLU Chi-restraints excluded: chain Dk residue 27 MET Chi-restraints excluded: chain Dk residue 34 ARG Chi-restraints excluded: chain Dk residue 48 VAL Chi-restraints excluded: chain Al residue 7 GLU Chi-restraints excluded: chain Al residue 30 LYS Chi-restraints excluded: chain Bl residue 75 LEU Chi-restraints excluded: chain Cl residue 13 GLU Chi-restraints excluded: chain Cl residue 75 LEU Chi-restraints excluded: chain Dl residue 13 GLU Chi-restraints excluded: chain Dl residue 22 GLU Chi-restraints excluded: chain Dl residue 48 VAL Chi-restraints excluded: chain Am residue 7 GLU Chi-restraints excluded: chain Am residue 28 TRP Chi-restraints excluded: chain Am residue 35 ARG Chi-restraints excluded: chain Am residue 65 LYS Chi-restraints excluded: chain Cm residue 84 VAL Chi-restraints excluded: chain Dm residue 22 GLU Chi-restraints excluded: chain Dm residue 66 ASP Chi-restraints excluded: chain An residue 7 GLU Chi-restraints excluded: chain An residue 22 LYS Chi-restraints excluded: chain An residue 28 TRP Chi-restraints excluded: chain Bn residue 11 MET Chi-restraints excluded: chain Bn residue 75 LEU Chi-restraints excluded: chain Dn residue 66 ASP Chi-restraints excluded: chain Dn residue 86 SER Chi-restraints excluded: chain Ao residue 7 GLU Chi-restraints excluded: chain Ao residue 30 LYS Chi-restraints excluded: chain Co residue 75 LEU Chi-restraints excluded: chain Co residue 88 VAL Chi-restraints excluded: chain Do residue 22 GLU Chi-restraints excluded: chain Ap residue 2 LYS Chi-restraints excluded: chain Ap residue 28 TRP Chi-restraints excluded: chain Ap residue 65 LYS Chi-restraints excluded: chain Cp residue 83 ARG Chi-restraints excluded: chain Cp residue 88 VAL Chi-restraints excluded: chain Dp residue 22 GLU Chi-restraints excluded: chain Dp residue 27 MET Chi-restraints excluded: chain Dp residue 48 VAL Chi-restraints excluded: chain Dp residue 69 GLU Chi-restraints excluded: chain Aq residue 7 GLU Chi-restraints excluded: chain Aq residue 30 LYS Chi-restraints excluded: chain Aq residue 65 LYS Chi-restraints excluded: chain Bq residue 75 LEU Chi-restraints excluded: chain Cq residue 11 MET Chi-restraints excluded: chain Cq residue 75 LEU Chi-restraints excluded: chain Dq residue 13 GLU Chi-restraints excluded: chain Dq residue 22 GLU Chi-restraints excluded: chain Dq residue 48 VAL Chi-restraints excluded: chain Ar residue 7 GLU Chi-restraints excluded: chain Ar residue 28 TRP Chi-restraints excluded: chain Ar residue 35 ARG Chi-restraints excluded: chain Ar residue 65 LYS Chi-restraints excluded: chain Br residue 83 ARG Chi-restraints excluded: chain Dr residue 22 GLU Chi-restraints excluded: chain Dr residue 38 ARG Chi-restraints excluded: chain Dr residue 66 ASP Chi-restraints excluded: chain As residue 7 GLU Chi-restraints excluded: chain As residue 22 LYS Chi-restraints excluded: chain As residue 28 TRP Chi-restraints excluded: chain Bs residue 75 LEU Chi-restraints excluded: chain Ds residue 66 ASP Chi-restraints excluded: chain Ds residue 86 SER Chi-restraints excluded: chain At residue 7 GLU Chi-restraints excluded: chain At residue 30 LYS Chi-restraints excluded: chain Ct residue 75 LEU Chi-restraints excluded: chain Ct residue 88 VAL Chi-restraints excluded: chain Dt residue 22 GLU Chi-restraints excluded: chain Dt residue 48 VAL Chi-restraints excluded: chain Av residue 2 LYS Chi-restraints excluded: chain Av residue 7 GLU Chi-restraints excluded: chain Av residue 28 TRP Chi-restraints excluded: chain Av residue 65 LYS Chi-restraints excluded: chain Cv residue 83 ARG Chi-restraints excluded: chain Cv residue 88 VAL Chi-restraints excluded: chain Dv residue 22 GLU Chi-restraints excluded: chain Dv residue 27 MET Chi-restraints excluded: chain Dv residue 34 ARG Chi-restraints excluded: chain Dv residue 48 VAL Chi-restraints excluded: chain Dv residue 69 GLU Chi-restraints excluded: chain Aw residue 7 GLU Chi-restraints excluded: chain Aw residue 28 TRP Chi-restraints excluded: chain Bw residue 75 LEU Chi-restraints excluded: chain Cw residue 11 MET Chi-restraints excluded: chain Cw residue 13 GLU Chi-restraints excluded: chain Dw residue 13 GLU Chi-restraints excluded: chain Dw residue 22 GLU Chi-restraints excluded: chain Dw residue 38 ARG Chi-restraints excluded: chain Dw residue 48 VAL Chi-restraints excluded: chain Ax residue 7 GLU Chi-restraints excluded: chain Ax residue 28 TRP Chi-restraints excluded: chain Ax residue 35 ARG Chi-restraints excluded: chain Ax residue 65 LYS Chi-restraints excluded: chain Bx residue 83 ARG Chi-restraints excluded: chain Cx residue 84 VAL Chi-restraints excluded: chain Dx residue 22 GLU Chi-restraints excluded: chain Dx residue 38 ARG Chi-restraints excluded: chain Dx residue 66 ASP Chi-restraints excluded: chain Ay residue 7 GLU Chi-restraints excluded: chain Ay residue 22 LYS Chi-restraints excluded: chain Ay residue 28 TRP Chi-restraints excluded: chain By residue 75 LEU Chi-restraints excluded: chain Dy residue 66 ASP Chi-restraints excluded: chain Az residue 7 GLU Chi-restraints excluded: chain Az residue 30 LYS Chi-restraints excluded: chain Az residue 65 LYS Chi-restraints excluded: chain Cz residue 75 LEU Chi-restraints excluded: chain Cz residue 88 VAL Chi-restraints excluded: chain Dz residue 22 GLU Chi-restraints excluded: chain Dz residue 48 VAL Chi-restraints excluded: chain A0 residue 8 LYS Chi-restraints excluded: chain A0 residue 10 LEU Chi-restraints excluded: chain A0 residue 28 TRP Chi-restraints excluded: chain A0 residue 65 LYS Chi-restraints excluded: chain B0 residue 70 ARG Chi-restraints excluded: chain C0 residue 83 ARG Chi-restraints excluded: chain C0 residue 88 VAL Chi-restraints excluded: chain D0 residue 27 MET Chi-restraints excluded: chain D0 residue 48 VAL Chi-restraints excluded: chain D0 residue 69 GLU Chi-restraints excluded: chain A1 residue 7 GLU Chi-restraints excluded: chain A1 residue 28 TRP Chi-restraints excluded: chain B1 residue 75 LEU Chi-restraints excluded: chain C1 residue 11 MET Chi-restraints excluded: chain C1 residue 13 GLU Chi-restraints excluded: chain D1 residue 13 GLU Chi-restraints excluded: chain D1 residue 22 GLU Chi-restraints excluded: chain D1 residue 48 VAL Chi-restraints excluded: chain A2 residue 7 GLU Chi-restraints excluded: chain A2 residue 28 TRP Chi-restraints excluded: chain A2 residue 35 ARG Chi-restraints excluded: chain B2 residue 83 ARG Chi-restraints excluded: chain C2 residue 84 VAL Chi-restraints excluded: chain D2 residue 22 GLU Chi-restraints excluded: chain D2 residue 38 ARG Chi-restraints excluded: chain D2 residue 66 ASP Chi-restraints excluded: chain A3 residue 7 GLU Chi-restraints excluded: chain A3 residue 22 LYS Chi-restraints excluded: chain A3 residue 28 TRP Chi-restraints excluded: chain B3 residue 11 MET Chi-restraints excluded: chain B3 residue 75 LEU Chi-restraints excluded: chain D3 residue 66 ASP Chi-restraints excluded: chain D3 residue 86 SER Chi-restraints excluded: chain A4 residue 7 GLU Chi-restraints excluded: chain A4 residue 30 LYS Chi-restraints excluded: chain B4 residue 83 ARG Chi-restraints excluded: chain C4 residue 75 LEU Chi-restraints excluded: chain C4 residue 88 VAL Chi-restraints excluded: chain D4 residue 22 GLU Chi-restraints excluded: chain D4 residue 48 VAL Chi-restraints excluded: chain A5 residue 28 TRP Chi-restraints excluded: chain C5 residue 83 ARG Chi-restraints excluded: chain C5 residue 88 VAL Chi-restraints excluded: chain D5 residue 22 GLU Chi-restraints excluded: chain D5 residue 27 MET Chi-restraints excluded: chain D5 residue 48 VAL Chi-restraints excluded: chain D5 residue 69 GLU Chi-restraints excluded: chain A6 residue 7 GLU Chi-restraints excluded: chain A6 residue 28 TRP Chi-restraints excluded: chain B6 residue 75 LEU Chi-restraints excluded: chain C6 residue 11 MET Chi-restraints excluded: chain C6 residue 13 GLU Chi-restraints excluded: chain C6 residue 75 LEU Chi-restraints excluded: chain D6 residue 13 GLU Chi-restraints excluded: chain D6 residue 22 GLU Chi-restraints excluded: chain D6 residue 48 VAL Chi-restraints excluded: chain A7 residue 7 GLU Chi-restraints excluded: chain A7 residue 28 TRP Chi-restraints excluded: chain A7 residue 35 ARG Chi-restraints excluded: chain A7 residue 65 LYS Chi-restraints excluded: chain C7 residue 84 VAL Chi-restraints excluded: chain D7 residue 22 GLU Chi-restraints excluded: chain D7 residue 66 ASP Chi-restraints excluded: chain A8 residue 7 GLU Chi-restraints excluded: chain A8 residue 22 LYS Chi-restraints excluded: chain A8 residue 28 TRP Chi-restraints excluded: chain B8 residue 75 LEU Chi-restraints excluded: chain D8 residue 66 ASP Chi-restraints excluded: chain A9 residue 30 LYS Chi-restraints excluded: chain C9 residue 75 LEU Chi-restraints excluded: chain D9 residue 22 GLU Chi-restraints excluded: chain D9 residue 48 VAL Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 624 optimal weight: 20.0000 chunk 1671 optimal weight: 5.9990 chunk 366 optimal weight: 10.0000 chunk 1089 optimal weight: 20.0000 chunk 458 optimal weight: 9.9990 chunk 1857 optimal weight: 2.9990 chunk 1542 optimal weight: 10.0000 chunk 860 optimal weight: 10.0000 chunk 154 optimal weight: 4.9990 chunk 614 optimal weight: 0.0670 chunk 975 optimal weight: 7.9990 overall best weight: 4.4126 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: DA 39 GLN DF 39 GLN DH 39 GLN DM 39 GLN DP 39 GLN DV 39 GLN Da 39 GLN Dc 39 GLN Dp 39 GLN Dr 39 GLN Dv 39 GLN Dx 39 GLN C1 58 ASN Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8381 moved from start: 0.1620 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.032 151920 Z= 0.221 Angle : 0.600 8.516 205800 Z= 0.315 Chirality : 0.044 0.133 24900 Planarity : 0.004 0.032 26760 Dihedral : 4.786 21.640 22260 Min Nonbonded Distance : 2.139 Molprobity Statistics. All-atom Clashscore : 5.44 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.10 % Favored : 97.90 % Rotamer: Outliers : 4.19 % Allowed : 23.12 % Favored : 72.69 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.67 (0.06), residues: 20340 helix: 1.12 (0.07), residues: 6240 sheet: 0.85 (0.07), residues: 6180 loop : -0.35 (0.07), residues: 7920 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.048 0.003 TRPAG 28 HIS 0.003 0.001 HISBj 79 PHE 0.006 0.001 PHEDO 40 TYR 0.007 0.001 TYRCG 45 ARG 0.005 0.000 ARGBd 62 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4174 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 623 poor density : 3551 time to evaluate : 11.262 Fit side-chains REVERT: AA 7 GLU cc_start: 0.7809 (OUTLIER) cc_final: 0.7019 (mt-10) REVERT: AA 8 LYS cc_start: 0.8474 (OUTLIER) cc_final: 0.8242 (pttm) REVERT: AA 28 TRP cc_start: 0.8649 (OUTLIER) cc_final: 0.7407 (p90) REVERT: BA 13 GLU cc_start: 0.8336 (tt0) cc_final: 0.8076 (tp30) REVERT: BA 70 ARG cc_start: 0.7103 (OUTLIER) cc_final: 0.6709 (mtp180) REVERT: AB 7 GLU cc_start: 0.7877 (OUTLIER) cc_final: 0.7119 (mt-10) REVERT: BB 75 LEU cc_start: 0.8787 (OUTLIER) cc_final: 0.8530 (tp) REVERT: BB 83 ARG cc_start: 0.7930 (ptt180) cc_final: 0.7665 (ptt180) REVERT: DB 13 GLU cc_start: 0.8574 (OUTLIER) cc_final: 0.8186 (tp30) REVERT: DB 22 GLU cc_start: 0.7542 (OUTLIER) cc_final: 0.6864 (tm-30) REVERT: AC 7 GLU cc_start: 0.7878 (OUTLIER) cc_final: 0.7132 (mt-10) REVERT: AC 30 LYS cc_start: 0.8265 (OUTLIER) cc_final: 0.7857 (pmmt) REVERT: CC 34 ARG cc_start: 0.7855 (ttp-110) cc_final: 0.7538 (ttp-170) REVERT: DC 22 GLU cc_start: 0.7488 (OUTLIER) cc_final: 0.6748 (tm-30) REVERT: AD 7 GLU cc_start: 0.7937 (OUTLIER) cc_final: 0.7241 (mt-10) REVERT: AD 22 LYS cc_start: 0.8791 (OUTLIER) cc_final: 0.7532 (mppt) REVERT: DD 38 ARG cc_start: 0.8770 (OUTLIER) cc_final: 0.7344 (tmm-80) REVERT: AE 22 LYS cc_start: 0.8888 (mptt) cc_final: 0.8510 (mmtt) REVERT: CE 75 LEU cc_start: 0.8868 (OUTLIER) cc_final: 0.8663 (tp) REVERT: DE 22 GLU cc_start: 0.7494 (OUTLIER) cc_final: 0.6992 (tp30) REVERT: DE 66 ASP cc_start: 0.7163 (OUTLIER) cc_final: 0.6912 (t70) REVERT: AF 7 GLU cc_start: 0.7905 (OUTLIER) cc_final: 0.7125 (mm-30) REVERT: AF 8 LYS cc_start: 0.8485 (OUTLIER) cc_final: 0.8259 (pttm) REVERT: AF 28 TRP cc_start: 0.8636 (OUTLIER) cc_final: 0.7366 (p90) REVERT: BF 13 GLU cc_start: 0.8296 (tt0) cc_final: 0.8012 (tp30) REVERT: BF 83 ARG cc_start: 0.8021 (ptt90) cc_final: 0.7663 (ptt180) REVERT: AG 7 GLU cc_start: 0.7825 (OUTLIER) cc_final: 0.6841 (mt-10) REVERT: BG 75 LEU cc_start: 0.8788 (OUTLIER) cc_final: 0.8570 (tp) REVERT: CG 75 LEU cc_start: 0.8908 (OUTLIER) cc_final: 0.8601 (tp) REVERT: DG 13 GLU cc_start: 0.8569 (OUTLIER) cc_final: 0.8175 (tp30) REVERT: DG 22 GLU cc_start: 0.7542 (OUTLIER) cc_final: 0.6868 (tm-30) REVERT: AH 7 GLU cc_start: 0.7881 (OUTLIER) cc_final: 0.7100 (mt-10) REVERT: AH 30 LYS cc_start: 0.8245 (OUTLIER) cc_final: 0.7842 (pmmt) REVERT: BH 83 ARG cc_start: 0.7966 (OUTLIER) cc_final: 0.7765 (ptt90) REVERT: CH 34 ARG cc_start: 0.7859 (ttp-110) cc_final: 0.7529 (ttp-170) REVERT: DH 22 GLU cc_start: 0.7457 (OUTLIER) cc_final: 0.6730 (tm-30) REVERT: AI 7 GLU cc_start: 0.7938 (OUTLIER) cc_final: 0.7221 (mt-10) REVERT: AI 22 LYS cc_start: 0.8790 (OUTLIER) cc_final: 0.7518 (mppt) REVERT: DI 38 ARG cc_start: 0.8768 (OUTLIER) cc_final: 0.7341 (tmm-80) REVERT: AJ 22 LYS cc_start: 0.8877 (mptt) cc_final: 0.8505 (mmtt) REVERT: CJ 75 LEU cc_start: 0.8863 (OUTLIER) cc_final: 0.8659 (tp) REVERT: DJ 22 GLU cc_start: 0.7490 (OUTLIER) cc_final: 0.6990 (tp30) REVERT: DJ 66 ASP cc_start: 0.7163 (OUTLIER) cc_final: 0.6924 (t70) REVERT: AK 7 GLU cc_start: 0.7834 (OUTLIER) cc_final: 0.7064 (mm-30) REVERT: AK 8 LYS cc_start: 0.8474 (OUTLIER) cc_final: 0.8214 (pttm) REVERT: AK 28 TRP cc_start: 0.8642 (OUTLIER) cc_final: 0.7408 (p90) REVERT: BK 13 GLU cc_start: 0.8297 (tt0) cc_final: 0.8013 (tp30) REVERT: BK 83 ARG cc_start: 0.8019 (ptt90) cc_final: 0.7664 (ptt180) REVERT: BL 75 LEU cc_start: 0.8782 (OUTLIER) cc_final: 0.8562 (tp) REVERT: BL 83 ARG cc_start: 0.7930 (ptt180) cc_final: 0.7662 (ptt180) REVERT: CL 75 LEU cc_start: 0.8920 (OUTLIER) cc_final: 0.8610 (tp) REVERT: DL 13 GLU cc_start: 0.8575 (OUTLIER) cc_final: 0.8186 (tp30) REVERT: DL 22 GLU cc_start: 0.7545 (OUTLIER) cc_final: 0.6870 (tm-30) REVERT: AM 7 GLU cc_start: 0.7945 (OUTLIER) cc_final: 0.7211 (mt-10) REVERT: AM 30 LYS cc_start: 0.8297 (OUTLIER) cc_final: 0.7937 (pmmt) REVERT: CM 34 ARG cc_start: 0.7856 (ttp-110) cc_final: 0.7540 (ttp-170) REVERT: DM 22 GLU cc_start: 0.7484 (OUTLIER) cc_final: 0.6741 (tm-30) REVERT: AN 7 GLU cc_start: 0.7956 (OUTLIER) cc_final: 0.7259 (mt-10) REVERT: AN 22 LYS cc_start: 0.8788 (OUTLIER) cc_final: 0.7527 (mppt) REVERT: DN 38 ARG cc_start: 0.8779 (OUTLIER) cc_final: 0.7346 (tmm-80) REVERT: AO 22 LYS cc_start: 0.8878 (mptt) cc_final: 0.8505 (mmtt) REVERT: CO 75 LEU cc_start: 0.8871 (OUTLIER) cc_final: 0.8668 (tp) REVERT: DO 22 GLU cc_start: 0.7494 (OUTLIER) cc_final: 0.6980 (tp30) REVERT: DO 66 ASP cc_start: 0.7209 (OUTLIER) cc_final: 0.6990 (t70) REVERT: AP 7 GLU cc_start: 0.7869 (OUTLIER) cc_final: 0.7078 (mt-10) REVERT: AP 8 LYS cc_start: 0.8544 (OUTLIER) cc_final: 0.8272 (pttm) REVERT: AP 28 TRP cc_start: 0.8629 (OUTLIER) cc_final: 0.7352 (p90) REVERT: BP 13 GLU cc_start: 0.8334 (tt0) cc_final: 0.8088 (tp30) REVERT: BP 70 ARG cc_start: 0.7107 (OUTLIER) cc_final: 0.6710 (mtp180) REVERT: AQ 30 LYS cc_start: 0.8170 (OUTLIER) cc_final: 0.7858 (pmmt) REVERT: BQ 75 LEU cc_start: 0.8782 (OUTLIER) cc_final: 0.8568 (tp) REVERT: DQ 13 GLU cc_start: 0.8596 (OUTLIER) cc_final: 0.8206 (tp30) REVERT: DQ 22 GLU cc_start: 0.7524 (OUTLIER) cc_final: 0.6876 (tm-30) REVERT: AR 7 GLU cc_start: 0.7914 (OUTLIER) cc_final: 0.7161 (mt-10) REVERT: BR 83 ARG cc_start: 0.7951 (OUTLIER) cc_final: 0.7729 (ptt90) REVERT: CR 34 ARG cc_start: 0.7858 (ttp-110) cc_final: 0.7525 (ttp-170) REVERT: DR 22 GLU cc_start: 0.7454 (OUTLIER) cc_final: 0.6724 (tm-30) REVERT: AS 7 GLU cc_start: 0.7948 (OUTLIER) cc_final: 0.7252 (mt-10) REVERT: AS 22 LYS cc_start: 0.8783 (OUTLIER) cc_final: 0.7491 (mppt) REVERT: DS 38 ARG cc_start: 0.8771 (OUTLIER) cc_final: 0.7339 (tmm-80) REVERT: AT 22 LYS cc_start: 0.8885 (mptt) cc_final: 0.8508 (mmtt) REVERT: CT 75 LEU cc_start: 0.8873 (OUTLIER) cc_final: 0.8669 (tp) REVERT: DT 22 GLU cc_start: 0.7496 (OUTLIER) cc_final: 0.6989 (tp30) REVERT: DT 66 ASP cc_start: 0.7159 (OUTLIER) cc_final: 0.6919 (t70) REVERT: AV 7 GLU cc_start: 0.7897 (OUTLIER) cc_final: 0.7080 (mm-30) REVERT: AV 28 TRP cc_start: 0.8639 (OUTLIER) cc_final: 0.7367 (p90) REVERT: BV 13 GLU cc_start: 0.8296 (tt0) cc_final: 0.8053 (tp30) REVERT: BW 75 LEU cc_start: 0.8798 (OUTLIER) cc_final: 0.8546 (tp) REVERT: BW 83 ARG cc_start: 0.7911 (ptt180) cc_final: 0.7633 (ptt180) REVERT: DW 13 GLU cc_start: 0.8608 (OUTLIER) cc_final: 0.8207 (tp30) REVERT: DW 22 GLU cc_start: 0.7509 (OUTLIER) cc_final: 0.6842 (tm-30) REVERT: AX 7 GLU cc_start: 0.7877 (OUTLIER) cc_final: 0.7148 (mt-10) REVERT: AX 30 LYS cc_start: 0.8281 (OUTLIER) cc_final: 0.7974 (pmmt) REVERT: CX 34 ARG cc_start: 0.7879 (ttp-110) cc_final: 0.7532 (ttp-170) REVERT: DX 22 GLU cc_start: 0.7470 (OUTLIER) cc_final: 0.6710 (tm-30) REVERT: AY 7 GLU cc_start: 0.7991 (OUTLIER) cc_final: 0.7294 (mt-10) REVERT: AY 22 LYS cc_start: 0.8759 (OUTLIER) cc_final: 0.7520 (mppt) REVERT: DY 38 ARG cc_start: 0.8764 (OUTLIER) cc_final: 0.7329 (tmm-80) REVERT: AZ 22 LYS cc_start: 0.8872 (mptt) cc_final: 0.8492 (mmtt) REVERT: CZ 75 LEU cc_start: 0.8873 (OUTLIER) cc_final: 0.8669 (tp) REVERT: DZ 22 GLU cc_start: 0.7509 (OUTLIER) cc_final: 0.7009 (tp30) REVERT: DZ 66 ASP cc_start: 0.7170 (OUTLIER) cc_final: 0.6905 (t70) REVERT: Aa 7 GLU cc_start: 0.7783 (OUTLIER) cc_final: 0.7016 (mt-10) REVERT: Aa 28 TRP cc_start: 0.8642 (OUTLIER) cc_final: 0.7383 (p90) REVERT: Ba 13 GLU cc_start: 0.8320 (tt0) cc_final: 0.8037 (tp30) REVERT: Ab 7 GLU cc_start: 0.7767 (OUTLIER) cc_final: 0.6984 (mt-10) REVERT: Ab 22 LYS cc_start: 0.8550 (mttp) cc_final: 0.8288 (mttt) REVERT: Ab 30 LYS cc_start: 0.8110 (OUTLIER) cc_final: 0.7778 (pmmt) REVERT: Bb 75 LEU cc_start: 0.8799 (OUTLIER) cc_final: 0.8585 (tp) REVERT: Cb 75 LEU cc_start: 0.8943 (OUTLIER) cc_final: 0.8641 (tp) REVERT: Db 13 GLU cc_start: 0.8579 (OUTLIER) cc_final: 0.8192 (tp30) REVERT: Db 22 GLU cc_start: 0.7528 (OUTLIER) cc_final: 0.6840 (tm-30) REVERT: Ac 7 GLU cc_start: 0.7920 (OUTLIER) cc_final: 0.7204 (mt-10) REVERT: Ac 30 LYS cc_start: 0.8295 (OUTLIER) cc_final: 0.7989 (pmmt) REVERT: Bc 83 ARG cc_start: 0.8014 (OUTLIER) cc_final: 0.7787 (ptt90) REVERT: Cc 34 ARG cc_start: 0.7868 (ttp-110) cc_final: 0.7524 (ttp-170) REVERT: Dc 22 GLU cc_start: 0.7447 (OUTLIER) cc_final: 0.6700 (tm-30) REVERT: Ad 7 GLU cc_start: 0.7980 (OUTLIER) cc_final: 0.7268 (mt-10) REVERT: Ad 22 LYS cc_start: 0.8772 (OUTLIER) cc_final: 0.7529 (mppt) REVERT: Dd 38 ARG cc_start: 0.8774 (OUTLIER) cc_final: 0.7332 (tmm-80) REVERT: Ae 22 LYS cc_start: 0.8873 (mptt) cc_final: 0.8489 (mmtt) REVERT: Ce 75 LEU cc_start: 0.8877 (OUTLIER) cc_final: 0.8669 (tp) REVERT: De 22 GLU cc_start: 0.7499 (OUTLIER) cc_final: 0.6998 (tp30) REVERT: De 66 ASP cc_start: 0.7174 (OUTLIER) cc_final: 0.6921 (t70) REVERT: Af 7 GLU cc_start: 0.7740 (OUTLIER) cc_final: 0.6906 (mt-10) REVERT: Af 28 TRP cc_start: 0.8642 (OUTLIER) cc_final: 0.7431 (p90) REVERT: Bf 13 GLU cc_start: 0.8284 (tt0) cc_final: 0.8000 (tp30) REVERT: Bf 70 ARG cc_start: 0.7102 (OUTLIER) cc_final: 0.6695 (mtp180) REVERT: Df 34 ARG cc_start: 0.7972 (OUTLIER) cc_final: 0.7321 (ptt-90) REVERT: Bg 75 LEU cc_start: 0.8802 (OUTLIER) cc_final: 0.8554 (tp) REVERT: Dg 13 GLU cc_start: 0.8602 (OUTLIER) cc_final: 0.8189 (tp30) REVERT: Dg 22 GLU cc_start: 0.7505 (OUTLIER) cc_final: 0.6843 (tm-30) REVERT: Ah 7 GLU cc_start: 0.7873 (OUTLIER) cc_final: 0.7146 (mt-10) REVERT: Ah 30 LYS cc_start: 0.8289 (OUTLIER) cc_final: 0.7966 (pmmt) REVERT: Ch 34 ARG cc_start: 0.7886 (ttp-110) cc_final: 0.7536 (ttp-170) REVERT: Dh 22 GLU cc_start: 0.7481 (OUTLIER) cc_final: 0.6718 (tm-30) REVERT: Ai 4 MET cc_start: 0.8130 (OUTLIER) cc_final: 0.7537 (mmm) REVERT: Ai 7 GLU cc_start: 0.7969 (OUTLIER) cc_final: 0.7232 (mt-10) REVERT: Ai 22 LYS cc_start: 0.8756 (OUTLIER) cc_final: 0.7542 (mppt) REVERT: Ai 60 GLU cc_start: 0.7626 (tp30) cc_final: 0.7370 (tp30) REVERT: Di 38 ARG cc_start: 0.8767 (OUTLIER) cc_final: 0.7335 (tmm-80) REVERT: Di 69 GLU cc_start: 0.6664 (OUTLIER) cc_final: 0.6459 (pt0) REVERT: Aj 22 LYS cc_start: 0.8873 (mptt) cc_final: 0.8490 (mmtt) REVERT: Dj 22 GLU cc_start: 0.7499 (OUTLIER) cc_final: 0.6993 (tp30) REVERT: Dj 66 ASP cc_start: 0.7172 (OUTLIER) cc_final: 0.6915 (t70) REVERT: Ak 7 GLU cc_start: 0.7779 (OUTLIER) cc_final: 0.6986 (mt-10) REVERT: Ak 28 TRP cc_start: 0.8627 (OUTLIER) cc_final: 0.7415 (p90) REVERT: Bk 13 GLU cc_start: 0.8315 (tt0) cc_final: 0.8066 (tp30) REVERT: Bk 70 ARG cc_start: 0.7109 (OUTLIER) cc_final: 0.6720 (mtp180) REVERT: Dk 34 ARG cc_start: 0.7975 (OUTLIER) cc_final: 0.7323 (ptt-90) REVERT: Al 7 GLU cc_start: 0.7792 (OUTLIER) cc_final: 0.6913 (mt-10) REVERT: Al 30 LYS cc_start: 0.8249 (OUTLIER) cc_final: 0.7858 (pmmt) REVERT: Bl 75 LEU cc_start: 0.8799 (OUTLIER) cc_final: 0.8588 (tp) REVERT: Cl 75 LEU cc_start: 0.8923 (OUTLIER) cc_final: 0.8627 (tp) REVERT: Dl 13 GLU cc_start: 0.8599 (OUTLIER) cc_final: 0.8196 (tp30) REVERT: Dl 22 GLU cc_start: 0.7507 (OUTLIER) cc_final: 0.6852 (tm-30) REVERT: Am 7 GLU cc_start: 0.7865 (OUTLIER) cc_final: 0.7145 (mt-10) REVERT: Bm 13 GLU cc_start: 0.8186 (tt0) cc_final: 0.7965 (tp30) REVERT: Bm 83 ARG cc_start: 0.8009 (OUTLIER) cc_final: 0.7797 (ptt90) REVERT: Cm 34 ARG cc_start: 0.7874 (ttp-110) cc_final: 0.7541 (ttp-170) REVERT: Dm 22 GLU cc_start: 0.7450 (OUTLIER) cc_final: 0.6697 (tm-30) REVERT: An 7 GLU cc_start: 0.7974 (OUTLIER) cc_final: 0.7248 (mt-10) REVERT: An 22 LYS cc_start: 0.8752 (OUTLIER) cc_final: 0.7513 (mppt) REVERT: An 30 LYS cc_start: 0.8173 (OUTLIER) cc_final: 0.7662 (pmmt) REVERT: Dn 38 ARG cc_start: 0.8765 (OUTLIER) cc_final: 0.7328 (tmm-80) REVERT: Ao 22 LYS cc_start: 0.8873 (mptt) cc_final: 0.8488 (mmtt) REVERT: Co 75 LEU cc_start: 0.8869 (OUTLIER) cc_final: 0.8663 (tp) REVERT: Do 22 GLU cc_start: 0.7493 (OUTLIER) cc_final: 0.6999 (tp30) REVERT: Do 66 ASP cc_start: 0.7222 (OUTLIER) cc_final: 0.6887 (t70) REVERT: Ap 7 GLU cc_start: 0.7829 (OUTLIER) cc_final: 0.7061 (mm-30) REVERT: Ap 28 TRP cc_start: 0.8643 (OUTLIER) cc_final: 0.7323 (p90) REVERT: Bp 13 GLU cc_start: 0.8328 (tt0) cc_final: 0.8049 (tp30) REVERT: Bp 70 ARG cc_start: 0.7107 (OUTLIER) cc_final: 0.6732 (mtp180) REVERT: Aq 7 GLU cc_start: 0.7879 (OUTLIER) cc_final: 0.7115 (mt-10) REVERT: Aq 22 LYS cc_start: 0.8599 (mttt) cc_final: 0.8209 (mttt) REVERT: Aq 65 LYS cc_start: 0.8239 (OUTLIER) cc_final: 0.7851 (ptpp) REVERT: Bq 75 LEU cc_start: 0.8780 (OUTLIER) cc_final: 0.8508 (tp) REVERT: Cq 75 LEU cc_start: 0.8929 (OUTLIER) cc_final: 0.8607 (tp) REVERT: Dq 22 GLU cc_start: 0.7519 (OUTLIER) cc_final: 0.6842 (tm-30) REVERT: Ar 7 GLU cc_start: 0.7865 (OUTLIER) cc_final: 0.7128 (mt-10) REVERT: Ar 30 LYS cc_start: 0.8275 (OUTLIER) cc_final: 0.7963 (pmmt) REVERT: Cr 34 ARG cc_start: 0.7869 (ttp-110) cc_final: 0.7555 (ttp-170) REVERT: Dr 22 GLU cc_start: 0.7490 (OUTLIER) cc_final: 0.6747 (tm-30) REVERT: As 7 GLU cc_start: 0.7981 (OUTLIER) cc_final: 0.7272 (mt-10) REVERT: As 22 LYS cc_start: 0.8775 (OUTLIER) cc_final: 0.7508 (mppt) REVERT: Ds 38 ARG cc_start: 0.8777 (OUTLIER) cc_final: 0.7340 (tmm-80) REVERT: At 22 LYS cc_start: 0.8881 (mptt) cc_final: 0.8501 (mmtt) REVERT: Ct 75 LEU cc_start: 0.8872 (OUTLIER) cc_final: 0.8672 (tp) REVERT: Dt 22 GLU cc_start: 0.7500 (OUTLIER) cc_final: 0.6978 (tp30) REVERT: Dt 66 ASP cc_start: 0.7179 (OUTLIER) cc_final: 0.6927 (t70) REVERT: Av 7 GLU cc_start: 0.7784 (OUTLIER) cc_final: 0.6903 (mt-10) REVERT: Av 28 TRP cc_start: 0.8640 (OUTLIER) cc_final: 0.7418 (p90) REVERT: Bv 13 GLU cc_start: 0.8328 (tt0) cc_final: 0.8081 (tp30) REVERT: Bv 70 ARG cc_start: 0.7106 (OUTLIER) cc_final: 0.6706 (mtp180) REVERT: Dv 34 ARG cc_start: 0.7981 (OUTLIER) cc_final: 0.7340 (ptt-90) REVERT: Bw 75 LEU cc_start: 0.8777 (OUTLIER) cc_final: 0.8551 (tp) REVERT: Cw 75 LEU cc_start: 0.8933 (OUTLIER) cc_final: 0.8631 (tp) REVERT: Dw 13 GLU cc_start: 0.8603 (OUTLIER) cc_final: 0.8207 (tp30) REVERT: Dw 22 GLU cc_start: 0.7532 (OUTLIER) cc_final: 0.6876 (tm-30) REVERT: Ax 7 GLU cc_start: 0.7868 (OUTLIER) cc_final: 0.7131 (mt-10) REVERT: Ax 30 LYS cc_start: 0.8273 (OUTLIER) cc_final: 0.7877 (pmmt) REVERT: Cx 34 ARG cc_start: 0.7865 (ttp-110) cc_final: 0.7549 (ttp-170) REVERT: Dx 22 GLU cc_start: 0.7470 (OUTLIER) cc_final: 0.6742 (tm-30) REVERT: Ay 7 GLU cc_start: 0.7959 (OUTLIER) cc_final: 0.7201 (mt-10) REVERT: Ay 22 LYS cc_start: 0.8768 (OUTLIER) cc_final: 0.7507 (mppt) REVERT: Dy 38 ARG cc_start: 0.8774 (OUTLIER) cc_final: 0.7336 (tmm-80) REVERT: Az 22 LYS cc_start: 0.8888 (mptt) cc_final: 0.8501 (mmtt) REVERT: Cz 75 LEU cc_start: 0.8875 (OUTLIER) cc_final: 0.8674 (tp) REVERT: Dz 22 GLU cc_start: 0.7495 (OUTLIER) cc_final: 0.6990 (tp30) REVERT: Dz 66 ASP cc_start: 0.7177 (OUTLIER) cc_final: 0.6908 (t70) REVERT: A0 7 GLU cc_start: 0.7802 (OUTLIER) cc_final: 0.6972 (mt-10) REVERT: A0 8 LYS cc_start: 0.8521 (OUTLIER) cc_final: 0.8256 (pttm) REVERT: A0 28 TRP cc_start: 0.8637 (OUTLIER) cc_final: 0.7417 (p90) REVERT: B0 13 GLU cc_start: 0.8286 (tt0) cc_final: 0.8003 (tp30) REVERT: B1 75 LEU cc_start: 0.8775 (OUTLIER) cc_final: 0.8549 (tp) REVERT: C1 75 LEU cc_start: 0.8924 (OUTLIER) cc_final: 0.8624 (tp) REVERT: D1 13 GLU cc_start: 0.8584 (OUTLIER) cc_final: 0.8200 (tp30) REVERT: D1 22 GLU cc_start: 0.7525 (OUTLIER) cc_final: 0.6845 (tm-30) REVERT: A2 7 GLU cc_start: 0.7897 (OUTLIER) cc_final: 0.7148 (mt-10) REVERT: B2 13 GLU cc_start: 0.8170 (tt0) cc_final: 0.7953 (tp30) REVERT: C2 34 ARG cc_start: 0.7864 (ttp-110) cc_final: 0.7536 (ttp-170) REVERT: D2 22 GLU cc_start: 0.7471 (OUTLIER) cc_final: 0.6746 (tm-30) REVERT: A3 7 GLU cc_start: 0.7937 (OUTLIER) cc_final: 0.7173 (mt-10) REVERT: A3 22 LYS cc_start: 0.8768 (OUTLIER) cc_final: 0.7513 (mppt) REVERT: A4 22 LYS cc_start: 0.8885 (mptt) cc_final: 0.8503 (mmtt) REVERT: D4 22 GLU cc_start: 0.7495 (OUTLIER) cc_final: 0.6992 (tp30) REVERT: D4 66 ASP cc_start: 0.7241 (OUTLIER) cc_final: 0.6910 (t70) REVERT: A5 7 GLU cc_start: 0.7826 (OUTLIER) cc_final: 0.7027 (mt-10) REVERT: A5 28 TRP cc_start: 0.8631 (OUTLIER) cc_final: 0.7388 (p90) REVERT: A5 65 LYS cc_start: 0.8324 (OUTLIER) cc_final: 0.8115 (ptpp) REVERT: B5 13 GLU cc_start: 0.8321 (tt0) cc_final: 0.8059 (tp30) REVERT: B5 70 ARG cc_start: 0.7103 (OUTLIER) cc_final: 0.6726 (mtp180) REVERT: B5 83 ARG cc_start: 0.8012 (ptt90) cc_final: 0.7684 (ptt180) REVERT: B6 75 LEU cc_start: 0.8764 (OUTLIER) cc_final: 0.8541 (tp) REVERT: D6 13 GLU cc_start: 0.8579 (OUTLIER) cc_final: 0.8188 (tp30) REVERT: D6 22 GLU cc_start: 0.7517 (OUTLIER) cc_final: 0.6839 (tm-30) REVERT: A7 7 GLU cc_start: 0.7867 (OUTLIER) cc_final: 0.7123 (mt-10) REVERT: A7 30 LYS cc_start: 0.8279 (OUTLIER) cc_final: 0.7886 (pmmt) REVERT: B7 83 ARG cc_start: 0.8001 (OUTLIER) cc_final: 0.7767 (ptt90) REVERT: C7 34 ARG cc_start: 0.7863 (ttp-110) cc_final: 0.7544 (ttp-170) REVERT: D7 22 GLU cc_start: 0.7468 (OUTLIER) cc_final: 0.6740 (tm-30) REVERT: A8 4 MET cc_start: 0.8155 (OUTLIER) cc_final: 0.7692 (mmt) REVERT: A8 7 GLU cc_start: 0.7947 (OUTLIER) cc_final: 0.7245 (mt-10) REVERT: A8 22 LYS cc_start: 0.8764 (OUTLIER) cc_final: 0.7502 (mppt) REVERT: D8 38 ARG cc_start: 0.8777 (OUTLIER) cc_final: 0.7341 (tmm-80) REVERT: A9 22 LYS cc_start: 0.8883 (mptt) cc_final: 0.8498 (mmtt) REVERT: C9 75 LEU cc_start: 0.8867 (OUTLIER) cc_final: 0.8665 (tp) REVERT: D9 22 GLU cc_start: 0.7493 (OUTLIER) cc_final: 0.6988 (tp30) REVERT: D9 66 ASP cc_start: 0.7158 (OUTLIER) cc_final: 0.6899 (t70) outliers start: 623 outliers final: 259 residues processed: 3785 average time/residue: 2.5750 time to fit residues: 12985.7902 Evaluate side-chains 3988 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 461 poor density : 3527 time to evaluate : 10.331 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 7 GLU Chi-restraints excluded: chain AA residue 8 LYS Chi-restraints excluded: chain AA residue 10 LEU Chi-restraints excluded: chain AA residue 28 TRP Chi-restraints excluded: chain BA residue 70 ARG Chi-restraints excluded: chain CA residue 83 ARG Chi-restraints excluded: chain CA residue 88 VAL Chi-restraints excluded: chain DA residue 27 MET Chi-restraints excluded: chain AB residue 7 GLU Chi-restraints excluded: chain BB residue 75 LEU Chi-restraints excluded: chain CB residue 13 GLU Chi-restraints excluded: chain DB residue 13 GLU Chi-restraints excluded: chain DB residue 22 GLU Chi-restraints excluded: chain DB residue 48 VAL Chi-restraints excluded: chain AC residue 7 GLU Chi-restraints excluded: chain AC residue 28 TRP Chi-restraints excluded: chain AC residue 30 LYS Chi-restraints excluded: chain AC residue 35 ARG Chi-restraints excluded: chain CC residue 84 VAL Chi-restraints excluded: chain DC residue 22 GLU Chi-restraints excluded: chain DC residue 48 VAL Chi-restraints excluded: chain DC residue 66 ASP Chi-restraints excluded: chain AD residue 7 GLU Chi-restraints excluded: chain AD residue 22 LYS Chi-restraints excluded: chain AD residue 28 TRP Chi-restraints excluded: chain BD residue 75 LEU Chi-restraints excluded: chain DD residue 38 ARG Chi-restraints excluded: chain DD residue 48 VAL Chi-restraints excluded: chain DD residue 66 ASP Chi-restraints excluded: chain DD residue 86 SER Chi-restraints excluded: chain AE residue 30 LYS Chi-restraints excluded: chain AE residue 39 VAL Chi-restraints excluded: chain CE residue 75 LEU Chi-restraints excluded: chain DE residue 13 GLU Chi-restraints excluded: chain DE residue 22 GLU Chi-restraints excluded: chain DE residue 66 ASP Chi-restraints excluded: chain AF residue 7 GLU Chi-restraints excluded: chain AF residue 8 LYS Chi-restraints excluded: chain AF residue 10 LEU Chi-restraints excluded: chain AF residue 28 TRP Chi-restraints excluded: chain CF residue 83 ARG Chi-restraints excluded: chain CF residue 88 VAL Chi-restraints excluded: chain DF residue 27 MET Chi-restraints excluded: chain AG residue 7 GLU Chi-restraints excluded: chain AG residue 28 TRP Chi-restraints excluded: chain BG residue 75 LEU Chi-restraints excluded: chain CG residue 11 MET Chi-restraints excluded: chain CG residue 13 GLU Chi-restraints excluded: chain CG residue 75 LEU Chi-restraints excluded: chain DG residue 13 GLU Chi-restraints excluded: chain DG residue 22 GLU Chi-restraints excluded: chain DG residue 48 VAL Chi-restraints excluded: chain AH residue 7 GLU Chi-restraints excluded: chain AH residue 28 TRP Chi-restraints excluded: chain AH residue 30 LYS Chi-restraints excluded: chain AH residue 35 ARG Chi-restraints excluded: chain BH residue 83 ARG Chi-restraints excluded: chain DH residue 22 GLU Chi-restraints excluded: chain DH residue 48 VAL Chi-restraints excluded: chain DH residue 66 ASP Chi-restraints excluded: chain AI residue 7 GLU Chi-restraints excluded: chain AI residue 22 LYS Chi-restraints excluded: chain AI residue 28 TRP Chi-restraints excluded: chain DI residue 38 ARG Chi-restraints excluded: chain DI residue 48 VAL Chi-restraints excluded: chain DI residue 66 ASP Chi-restraints excluded: chain AJ residue 30 LYS Chi-restraints excluded: chain AJ residue 39 VAL Chi-restraints excluded: chain CJ residue 75 LEU Chi-restraints excluded: chain DJ residue 22 GLU Chi-restraints excluded: chain DJ residue 66 ASP Chi-restraints excluded: chain AK residue 7 GLU Chi-restraints excluded: chain AK residue 8 LYS Chi-restraints excluded: chain AK residue 10 LEU Chi-restraints excluded: chain AK residue 28 TRP Chi-restraints excluded: chain CK residue 83 ARG Chi-restraints excluded: chain DK residue 27 MET Chi-restraints excluded: chain DK residue 69 GLU Chi-restraints excluded: chain AL residue 7 GLU Chi-restraints excluded: chain AL residue 28 TRP Chi-restraints excluded: chain BL residue 75 LEU Chi-restraints excluded: chain CL residue 13 GLU Chi-restraints excluded: chain CL residue 75 LEU Chi-restraints excluded: chain DL residue 13 GLU Chi-restraints excluded: chain DL residue 22 GLU Chi-restraints excluded: chain DL residue 48 VAL Chi-restraints excluded: chain AM residue 7 GLU Chi-restraints excluded: chain AM residue 28 TRP Chi-restraints excluded: chain AM residue 30 LYS Chi-restraints excluded: chain DM residue 22 GLU Chi-restraints excluded: chain DM residue 38 ARG Chi-restraints excluded: chain DM residue 48 VAL Chi-restraints excluded: chain DM residue 66 ASP Chi-restraints excluded: chain AN residue 7 GLU Chi-restraints excluded: chain AN residue 22 LYS Chi-restraints excluded: chain AN residue 28 TRP Chi-restraints excluded: chain BN residue 75 LEU Chi-restraints excluded: chain DN residue 38 ARG Chi-restraints excluded: chain DN residue 48 VAL Chi-restraints excluded: chain DN residue 66 ASP Chi-restraints excluded: chain DN residue 86 SER Chi-restraints excluded: chain AO residue 30 LYS Chi-restraints excluded: chain AO residue 39 VAL Chi-restraints excluded: chain CO residue 75 LEU Chi-restraints excluded: chain CO residue 88 VAL Chi-restraints excluded: chain DO residue 22 GLU Chi-restraints excluded: chain DO residue 66 ASP Chi-restraints excluded: chain AP residue 7 GLU Chi-restraints excluded: chain AP residue 8 LYS Chi-restraints excluded: chain AP residue 10 LEU Chi-restraints excluded: chain AP residue 28 TRP Chi-restraints excluded: chain BP residue 70 ARG Chi-restraints excluded: chain CP residue 83 ARG Chi-restraints excluded: chain DP residue 27 MET Chi-restraints excluded: chain DP residue 69 GLU Chi-restraints excluded: chain AQ residue 7 GLU Chi-restraints excluded: chain AQ residue 28 TRP Chi-restraints excluded: chain AQ residue 30 LYS Chi-restraints excluded: chain BQ residue 75 LEU Chi-restraints excluded: chain CQ residue 13 GLU Chi-restraints excluded: chain DQ residue 13 GLU Chi-restraints excluded: chain DQ residue 22 GLU Chi-restraints excluded: chain DQ residue 48 VAL Chi-restraints excluded: chain AR residue 7 GLU Chi-restraints excluded: chain AR residue 28 TRP Chi-restraints excluded: chain AR residue 35 ARG Chi-restraints excluded: chain BR residue 83 ARG Chi-restraints excluded: chain CR residue 84 VAL Chi-restraints excluded: chain DR residue 22 GLU Chi-restraints excluded: chain DR residue 48 VAL Chi-restraints excluded: chain DR residue 66 ASP Chi-restraints excluded: chain AS residue 7 GLU Chi-restraints excluded: chain AS residue 22 LYS Chi-restraints excluded: chain AS residue 28 TRP Chi-restraints excluded: chain BS residue 75 LEU Chi-restraints excluded: chain DS residue 38 ARG Chi-restraints excluded: chain DS residue 48 VAL Chi-restraints excluded: chain DS residue 66 ASP Chi-restraints excluded: chain AT residue 30 LYS Chi-restraints excluded: chain BT residue 83 ARG Chi-restraints excluded: chain CT residue 75 LEU Chi-restraints excluded: chain CT residue 88 VAL Chi-restraints excluded: chain DT residue 13 GLU Chi-restraints excluded: chain DT residue 22 GLU Chi-restraints excluded: chain DT residue 48 VAL Chi-restraints excluded: chain DT residue 66 ASP Chi-restraints excluded: chain AV residue 7 GLU Chi-restraints excluded: chain AV residue 10 LEU Chi-restraints excluded: chain AV residue 28 TRP Chi-restraints excluded: chain CV residue 83 ARG Chi-restraints excluded: chain CV residue 88 VAL Chi-restraints excluded: chain DV residue 27 MET Chi-restraints excluded: chain AW residue 7 GLU Chi-restraints excluded: chain AW residue 28 TRP Chi-restraints excluded: chain BW residue 75 LEU Chi-restraints excluded: chain CW residue 13 GLU Chi-restraints excluded: chain DW residue 13 GLU Chi-restraints excluded: chain DW residue 22 GLU Chi-restraints excluded: chain DW residue 48 VAL Chi-restraints excluded: chain AX residue 7 GLU Chi-restraints excluded: chain AX residue 28 TRP Chi-restraints excluded: chain AX residue 30 LYS Chi-restraints excluded: chain AX residue 35 ARG Chi-restraints excluded: chain CX residue 84 VAL Chi-restraints excluded: chain DX residue 22 GLU Chi-restraints excluded: chain DX residue 48 VAL Chi-restraints excluded: chain DX residue 66 ASP Chi-restraints excluded: chain AY residue 7 GLU Chi-restraints excluded: chain AY residue 22 LYS Chi-restraints excluded: chain AY residue 28 TRP Chi-restraints excluded: chain DY residue 38 ARG Chi-restraints excluded: chain DY residue 48 VAL Chi-restraints excluded: chain DY residue 66 ASP Chi-restraints excluded: chain DY residue 86 SER Chi-restraints excluded: chain AZ residue 30 LYS Chi-restraints excluded: chain AZ residue 39 VAL Chi-restraints excluded: chain CZ residue 75 LEU Chi-restraints excluded: chain CZ residue 84 VAL Chi-restraints excluded: chain CZ residue 88 VAL Chi-restraints excluded: chain DZ residue 22 GLU Chi-restraints excluded: chain DZ residue 66 ASP Chi-restraints excluded: chain Aa residue 7 GLU Chi-restraints excluded: chain Aa residue 10 LEU Chi-restraints excluded: chain Aa residue 28 TRP Chi-restraints excluded: chain Ca residue 83 ARG Chi-restraints excluded: chain Da residue 27 MET Chi-restraints excluded: chain Ab residue 7 GLU Chi-restraints excluded: chain Ab residue 30 LYS Chi-restraints excluded: chain Bb residue 75 LEU Chi-restraints excluded: chain Cb residue 11 MET Chi-restraints excluded: chain Cb residue 13 GLU Chi-restraints excluded: chain Cb residue 75 LEU Chi-restraints excluded: chain Db residue 13 GLU Chi-restraints excluded: chain Db residue 22 GLU Chi-restraints excluded: chain Db residue 48 VAL Chi-restraints excluded: chain Ac residue 7 GLU Chi-restraints excluded: chain Ac residue 28 TRP Chi-restraints excluded: chain Ac residue 30 LYS Chi-restraints excluded: chain Ac residue 35 ARG Chi-restraints excluded: chain Bc residue 83 ARG Chi-restraints excluded: chain Cc residue 84 VAL Chi-restraints excluded: chain Dc residue 22 GLU Chi-restraints excluded: chain Dc residue 38 ARG Chi-restraints excluded: chain Dc residue 48 VAL Chi-restraints excluded: chain Dc residue 66 ASP Chi-restraints excluded: chain Ad residue 7 GLU Chi-restraints excluded: chain Ad residue 22 LYS Chi-restraints excluded: chain Ad residue 28 TRP Chi-restraints excluded: chain Bd residue 75 LEU Chi-restraints excluded: chain Dd residue 38 ARG Chi-restraints excluded: chain Dd residue 48 VAL Chi-restraints excluded: chain Dd residue 66 ASP Chi-restraints excluded: chain Dd residue 86 SER Chi-restraints excluded: chain Ae residue 30 LYS Chi-restraints excluded: chain Ae residue 39 VAL Chi-restraints excluded: chain Ce residue 75 LEU Chi-restraints excluded: chain Ce residue 84 VAL Chi-restraints excluded: chain Ce residue 88 VAL Chi-restraints excluded: chain De residue 22 GLU Chi-restraints excluded: chain De residue 66 ASP Chi-restraints excluded: chain Af residue 7 GLU Chi-restraints excluded: chain Af residue 10 LEU Chi-restraints excluded: chain Af residue 28 TRP Chi-restraints excluded: chain Bf residue 70 ARG Chi-restraints excluded: chain Cf residue 83 ARG Chi-restraints excluded: chain Cf residue 88 VAL Chi-restraints excluded: chain Df residue 27 MET Chi-restraints excluded: chain Df residue 34 ARG Chi-restraints excluded: chain Df residue 48 VAL Chi-restraints excluded: chain Ag residue 7 GLU Chi-restraints excluded: chain Ag residue 28 TRP Chi-restraints excluded: chain Bg residue 75 LEU Chi-restraints excluded: chain Cg residue 13 GLU Chi-restraints excluded: chain Dg residue 13 GLU Chi-restraints excluded: chain Dg residue 22 GLU Chi-restraints excluded: chain Dg residue 48 VAL Chi-restraints excluded: chain Ah residue 7 GLU Chi-restraints excluded: chain Ah residue 28 TRP Chi-restraints excluded: chain Ah residue 30 LYS Chi-restraints excluded: chain Ah residue 35 ARG Chi-restraints excluded: chain Dh residue 22 GLU Chi-restraints excluded: chain Dh residue 48 VAL Chi-restraints excluded: chain Dh residue 66 ASP Chi-restraints excluded: chain Ai residue 4 MET Chi-restraints excluded: chain Ai residue 7 GLU Chi-restraints excluded: chain Ai residue 22 LYS Chi-restraints excluded: chain Ai residue 28 TRP Chi-restraints excluded: chain Bi residue 75 LEU Chi-restraints excluded: chain Di residue 38 ARG Chi-restraints excluded: chain Di residue 48 VAL Chi-restraints excluded: chain Di residue 66 ASP Chi-restraints excluded: chain Di residue 69 GLU Chi-restraints excluded: chain Di residue 86 SER Chi-restraints excluded: chain Aj residue 30 LYS Chi-restraints excluded: chain Aj residue 39 VAL Chi-restraints excluded: chain Bj residue 83 ARG Chi-restraints excluded: chain Cj residue 69 GLU Chi-restraints excluded: chain Cj residue 70 ARG Chi-restraints excluded: chain Cj residue 88 VAL Chi-restraints excluded: chain Dj residue 22 GLU Chi-restraints excluded: chain Dj residue 66 ASP Chi-restraints excluded: chain Ak residue 2 LYS Chi-restraints excluded: chain Ak residue 7 GLU Chi-restraints excluded: chain Ak residue 10 LEU Chi-restraints excluded: chain Ak residue 28 TRP Chi-restraints excluded: chain Bk residue 70 ARG Chi-restraints excluded: chain Ck residue 83 ARG Chi-restraints excluded: chain Ck residue 88 VAL Chi-restraints excluded: chain Dk residue 27 MET Chi-restraints excluded: chain Dk residue 34 ARG Chi-restraints excluded: chain Dk residue 48 VAL Chi-restraints excluded: chain Dk residue 69 GLU Chi-restraints excluded: chain Al residue 7 GLU Chi-restraints excluded: chain Al residue 30 LYS Chi-restraints excluded: chain Bl residue 75 LEU Chi-restraints excluded: chain Cl residue 11 MET Chi-restraints excluded: chain Cl residue 13 GLU Chi-restraints excluded: chain Cl residue 75 LEU Chi-restraints excluded: chain Dl residue 13 GLU Chi-restraints excluded: chain Dl residue 22 GLU Chi-restraints excluded: chain Dl residue 48 VAL Chi-restraints excluded: chain Am residue 7 GLU Chi-restraints excluded: chain Am residue 28 TRP Chi-restraints excluded: chain Am residue 35 ARG Chi-restraints excluded: chain Bm residue 83 ARG Chi-restraints excluded: chain Cm residue 84 VAL Chi-restraints excluded: chain Dm residue 22 GLU Chi-restraints excluded: chain Dm residue 48 VAL Chi-restraints excluded: chain Dm residue 66 ASP Chi-restraints excluded: chain An residue 7 GLU Chi-restraints excluded: chain An residue 22 LYS Chi-restraints excluded: chain An residue 28 TRP Chi-restraints excluded: chain An residue 30 LYS Chi-restraints excluded: chain Bn residue 11 MET Chi-restraints excluded: chain Bn residue 75 LEU Chi-restraints excluded: chain Cn residue 83 ARG Chi-restraints excluded: chain Dn residue 38 ARG Chi-restraints excluded: chain Dn residue 48 VAL Chi-restraints excluded: chain Dn residue 66 ASP Chi-restraints excluded: chain Dn residue 86 SER Chi-restraints excluded: chain Ao residue 30 LYS Chi-restraints excluded: chain Ao residue 39 VAL Chi-restraints excluded: chain Co residue 75 LEU Chi-restraints excluded: chain Co residue 84 VAL Chi-restraints excluded: chain Co residue 88 VAL Chi-restraints excluded: chain Do residue 22 GLU Chi-restraints excluded: chain Do residue 48 VAL Chi-restraints excluded: chain Do residue 66 ASP Chi-restraints excluded: chain Ap residue 2 LYS Chi-restraints excluded: chain Ap residue 7 GLU Chi-restraints excluded: chain Ap residue 10 LEU Chi-restraints excluded: chain Ap residue 28 TRP Chi-restraints excluded: chain Bp residue 70 ARG Chi-restraints excluded: chain Cp residue 83 ARG Chi-restraints excluded: chain Dp residue 27 MET Chi-restraints excluded: chain Aq residue 7 GLU Chi-restraints excluded: chain Aq residue 65 LYS Chi-restraints excluded: chain Bq residue 75 LEU Chi-restraints excluded: chain Cq residue 11 MET Chi-restraints excluded: chain Cq residue 13 GLU Chi-restraints excluded: chain Cq residue 75 LEU Chi-restraints excluded: chain Dq residue 22 GLU Chi-restraints excluded: chain Dq residue 48 VAL Chi-restraints excluded: chain Ar residue 7 GLU Chi-restraints excluded: chain Ar residue 28 TRP Chi-restraints excluded: chain Ar residue 30 LYS Chi-restraints excluded: chain Ar residue 35 ARG Chi-restraints excluded: chain Dr residue 22 GLU Chi-restraints excluded: chain Dr residue 38 ARG Chi-restraints excluded: chain Dr residue 48 VAL Chi-restraints excluded: chain Dr residue 66 ASP Chi-restraints excluded: chain As residue 7 GLU Chi-restraints excluded: chain As residue 22 LYS Chi-restraints excluded: chain As residue 28 TRP Chi-restraints excluded: chain Ds residue 38 ARG Chi-restraints excluded: chain Ds residue 48 VAL Chi-restraints excluded: chain Ds residue 66 ASP Chi-restraints excluded: chain Ds residue 86 SER Chi-restraints excluded: chain At residue 30 LYS Chi-restraints excluded: chain Ct residue 75 LEU Chi-restraints excluded: chain Ct residue 84 VAL Chi-restraints excluded: chain Ct residue 88 VAL Chi-restraints excluded: chain Dt residue 13 GLU Chi-restraints excluded: chain Dt residue 22 GLU Chi-restraints excluded: chain Dt residue 66 ASP Chi-restraints excluded: chain Av residue 2 LYS Chi-restraints excluded: chain Av residue 7 GLU Chi-restraints excluded: chain Av residue 28 TRP Chi-restraints excluded: chain Bv residue 70 ARG Chi-restraints excluded: chain Cv residue 83 ARG Chi-restraints excluded: chain Dv residue 27 MET Chi-restraints excluded: chain Dv residue 34 ARG Chi-restraints excluded: chain Dv residue 48 VAL Chi-restraints excluded: chain Aw residue 7 GLU Chi-restraints excluded: chain Aw residue 28 TRP Chi-restraints excluded: chain Bw residue 75 LEU Chi-restraints excluded: chain Cw residue 13 GLU Chi-restraints excluded: chain Cw residue 75 LEU Chi-restraints excluded: chain Dw residue 13 GLU Chi-restraints excluded: chain Dw residue 22 GLU Chi-restraints excluded: chain Dw residue 38 ARG Chi-restraints excluded: chain Dw residue 48 VAL Chi-restraints excluded: chain Ax residue 7 GLU Chi-restraints excluded: chain Ax residue 28 TRP Chi-restraints excluded: chain Ax residue 30 LYS Chi-restraints excluded: chain Ax residue 35 ARG Chi-restraints excluded: chain Cx residue 84 VAL Chi-restraints excluded: chain Dx residue 22 GLU Chi-restraints excluded: chain Dx residue 48 VAL Chi-restraints excluded: chain Dx residue 66 ASP Chi-restraints excluded: chain Ay residue 7 GLU Chi-restraints excluded: chain Ay residue 22 LYS Chi-restraints excluded: chain Ay residue 28 TRP Chi-restraints excluded: chain Dy residue 38 ARG Chi-restraints excluded: chain Dy residue 48 VAL Chi-restraints excluded: chain Dy residue 66 ASP Chi-restraints excluded: chain Az residue 30 LYS Chi-restraints excluded: chain Cz residue 75 LEU Chi-restraints excluded: chain Cz residue 84 VAL Chi-restraints excluded: chain Cz residue 88 VAL Chi-restraints excluded: chain Dz residue 22 GLU Chi-restraints excluded: chain Dz residue 66 ASP Chi-restraints excluded: chain A0 residue 7 GLU Chi-restraints excluded: chain A0 residue 8 LYS Chi-restraints excluded: chain A0 residue 28 TRP Chi-restraints excluded: chain C0 residue 83 ARG Chi-restraints excluded: chain C0 residue 88 VAL Chi-restraints excluded: chain D0 residue 27 MET Chi-restraints excluded: chain D0 residue 69 GLU Chi-restraints excluded: chain A1 residue 7 GLU Chi-restraints excluded: chain A1 residue 28 TRP Chi-restraints excluded: chain B1 residue 75 LEU Chi-restraints excluded: chain C1 residue 11 MET Chi-restraints excluded: chain C1 residue 13 GLU Chi-restraints excluded: chain C1 residue 75 LEU Chi-restraints excluded: chain D1 residue 13 GLU Chi-restraints excluded: chain D1 residue 22 GLU Chi-restraints excluded: chain D1 residue 48 VAL Chi-restraints excluded: chain A2 residue 7 GLU Chi-restraints excluded: chain A2 residue 28 TRP Chi-restraints excluded: chain A2 residue 35 ARG Chi-restraints excluded: chain B2 residue 83 ARG Chi-restraints excluded: chain C2 residue 84 VAL Chi-restraints excluded: chain D2 residue 22 GLU Chi-restraints excluded: chain D2 residue 38 ARG Chi-restraints excluded: chain D2 residue 48 VAL Chi-restraints excluded: chain D2 residue 66 ASP Chi-restraints excluded: chain A3 residue 7 GLU Chi-restraints excluded: chain A3 residue 22 LYS Chi-restraints excluded: chain A3 residue 28 TRP Chi-restraints excluded: chain B3 residue 11 MET Chi-restraints excluded: chain B3 residue 75 LEU Chi-restraints excluded: chain D3 residue 48 VAL Chi-restraints excluded: chain D3 residue 66 ASP Chi-restraints excluded: chain D3 residue 86 SER Chi-restraints excluded: chain A4 residue 30 LYS Chi-restraints excluded: chain B4 residue 83 ARG Chi-restraints excluded: chain C4 residue 88 VAL Chi-restraints excluded: chain D4 residue 22 GLU Chi-restraints excluded: chain D4 residue 66 ASP Chi-restraints excluded: chain A5 residue 7 GLU Chi-restraints excluded: chain A5 residue 10 LEU Chi-restraints excluded: chain A5 residue 28 TRP Chi-restraints excluded: chain A5 residue 65 LYS Chi-restraints excluded: chain B5 residue 70 ARG Chi-restraints excluded: chain C5 residue 83 ARG Chi-restraints excluded: chain C5 residue 88 VAL Chi-restraints excluded: chain D5 residue 27 MET Chi-restraints excluded: chain D5 residue 48 VAL Chi-restraints excluded: chain D5 residue 69 GLU Chi-restraints excluded: chain A6 residue 7 GLU Chi-restraints excluded: chain A6 residue 28 TRP Chi-restraints excluded: chain B6 residue 75 LEU Chi-restraints excluded: chain C6 residue 11 MET Chi-restraints excluded: chain C6 residue 13 GLU Chi-restraints excluded: chain D6 residue 13 GLU Chi-restraints excluded: chain D6 residue 22 GLU Chi-restraints excluded: chain D6 residue 48 VAL Chi-restraints excluded: chain A7 residue 7 GLU Chi-restraints excluded: chain A7 residue 28 TRP Chi-restraints excluded: chain A7 residue 30 LYS Chi-restraints excluded: chain A7 residue 35 ARG Chi-restraints excluded: chain B7 residue 83 ARG Chi-restraints excluded: chain C7 residue 84 VAL Chi-restraints excluded: chain D7 residue 22 GLU Chi-restraints excluded: chain D7 residue 48 VAL Chi-restraints excluded: chain D7 residue 66 ASP Chi-restraints excluded: chain D7 residue 83 ARG Chi-restraints excluded: chain A8 residue 4 MET Chi-restraints excluded: chain A8 residue 7 GLU Chi-restraints excluded: chain A8 residue 22 LYS Chi-restraints excluded: chain A8 residue 28 TRP Chi-restraints excluded: chain B8 residue 75 LEU Chi-restraints excluded: chain D8 residue 38 ARG Chi-restraints excluded: chain D8 residue 48 VAL Chi-restraints excluded: chain D8 residue 66 ASP Chi-restraints excluded: chain D8 residue 86 SER Chi-restraints excluded: chain A9 residue 30 LYS Chi-restraints excluded: chain C9 residue 75 LEU Chi-restraints excluded: chain D9 residue 22 GLU Chi-restraints excluded: chain D9 residue 66 ASP Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1791 optimal weight: 10.0000 chunk 209 optimal weight: 5.9990 chunk 1058 optimal weight: 7.9990 chunk 1356 optimal weight: 5.9990 chunk 1051 optimal weight: 20.0000 chunk 1563 optimal weight: 20.0000 chunk 1037 optimal weight: 8.9990 chunk 1850 optimal weight: 20.0000 chunk 1158 optimal weight: 8.9990 chunk 1128 optimal weight: 0.9980 chunk 854 optimal weight: 8.9990 overall best weight: 5.9988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: DA 39 GLN BB 85 HIS DF 39 GLN BG 85 HIS DH 39 GLN DK 39 GLN DM 39 GLN DP 39 GLN DV 39 GLN Da 39 GLN Bb 85 HIS Dc 39 GLN Dp 39 GLN Bq 85 HIS Dr 39 GLN Dx 39 GLN By 85 HIS D0 39 GLN B1 85 HIS B6 85 HIS Total number of N/Q/H flips: 20 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8400 moved from start: 0.1588 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.036 151920 Z= 0.275 Angle : 0.637 8.915 205800 Z= 0.333 Chirality : 0.045 0.135 24900 Planarity : 0.004 0.032 26760 Dihedral : 4.863 21.216 22260 Min Nonbonded Distance : 2.113 Molprobity Statistics. All-atom Clashscore : 5.68 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.12 % Favored : 97.88 % Rotamer: Outliers : 4.72 % Allowed : 23.07 % Favored : 72.21 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.57 (0.06), residues: 20340 helix: 1.00 (0.07), residues: 6240 sheet: 0.80 (0.07), residues: 6180 loop : -0.38 (0.07), residues: 7920 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.048 0.003 TRPAI 28 HIS 0.003 0.001 HISBt 79 PHE 0.007 0.001 PHEDO 40 TYR 0.008 0.001 TYRBR 45 ARG 0.005 0.000 ARGBH 70 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4253 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 702 poor density : 3551 time to evaluate : 11.034 Fit side-chains REVERT: AA 7 GLU cc_start: 0.7845 (OUTLIER) cc_final: 0.7025 (mt-10) REVERT: AA 8 LYS cc_start: 0.8490 (OUTLIER) cc_final: 0.8249 (pttm) REVERT: AA 28 TRP cc_start: 0.8633 (OUTLIER) cc_final: 0.7371 (p90) REVERT: BA 13 GLU cc_start: 0.8340 (tt0) cc_final: 0.8072 (tp30) REVERT: BA 70 ARG cc_start: 0.7133 (OUTLIER) cc_final: 0.6716 (mtp180) REVERT: CA 34 ARG cc_start: 0.7765 (ttm110) cc_final: 0.7494 (ttp-170) REVERT: AB 7 GLU cc_start: 0.7853 (OUTLIER) cc_final: 0.7082 (mt-10) REVERT: BB 75 LEU cc_start: 0.8847 (OUTLIER) cc_final: 0.8537 (tp) REVERT: CB 75 LEU cc_start: 0.8921 (OUTLIER) cc_final: 0.8590 (tp) REVERT: DB 13 GLU cc_start: 0.8578 (OUTLIER) cc_final: 0.8179 (tp30) REVERT: DB 22 GLU cc_start: 0.7606 (OUTLIER) cc_final: 0.6932 (tm-30) REVERT: AC 7 GLU cc_start: 0.7919 (OUTLIER) cc_final: 0.7173 (mt-10) REVERT: AC 30 LYS cc_start: 0.8271 (OUTLIER) cc_final: 0.7930 (pmmt) REVERT: BC 83 ARG cc_start: 0.7990 (OUTLIER) cc_final: 0.7753 (ptt90) REVERT: CC 34 ARG cc_start: 0.7853 (ttp-110) cc_final: 0.7520 (ttp-170) REVERT: AD 7 GLU cc_start: 0.7943 (OUTLIER) cc_final: 0.7237 (mt-10) REVERT: AD 22 LYS cc_start: 0.8798 (OUTLIER) cc_final: 0.7530 (mppt) REVERT: DD 38 ARG cc_start: 0.8783 (OUTLIER) cc_final: 0.7352 (tmm-80) REVERT: AE 22 LYS cc_start: 0.8893 (mptt) cc_final: 0.8512 (mmtt) REVERT: CE 75 LEU cc_start: 0.8885 (OUTLIER) cc_final: 0.8679 (tp) REVERT: DE 22 GLU cc_start: 0.7554 (OUTLIER) cc_final: 0.7056 (tp30) REVERT: DE 66 ASP cc_start: 0.7173 (OUTLIER) cc_final: 0.6835 (t70) REVERT: AF 7 GLU cc_start: 0.7933 (OUTLIER) cc_final: 0.7120 (mm-30) REVERT: AF 8 LYS cc_start: 0.8509 (OUTLIER) cc_final: 0.8282 (pttm) REVERT: AF 28 TRP cc_start: 0.8637 (OUTLIER) cc_final: 0.7263 (p90) REVERT: BF 13 GLU cc_start: 0.8308 (tt0) cc_final: 0.8026 (tp30) REVERT: BF 70 ARG cc_start: 0.7114 (OUTLIER) cc_final: 0.6695 (mtp180) REVERT: BF 83 ARG cc_start: 0.8050 (ptt90) cc_final: 0.7694 (ptt180) REVERT: CF 34 ARG cc_start: 0.7764 (ttm110) cc_final: 0.7491 (ttp-170) REVERT: AG 7 GLU cc_start: 0.7854 (OUTLIER) cc_final: 0.6905 (mt-10) REVERT: BG 75 LEU cc_start: 0.8843 (OUTLIER) cc_final: 0.8575 (tp) REVERT: CG 75 LEU cc_start: 0.8925 (OUTLIER) cc_final: 0.8600 (tp) REVERT: DG 13 GLU cc_start: 0.8572 (OUTLIER) cc_final: 0.8164 (tp30) REVERT: DG 22 GLU cc_start: 0.7605 (OUTLIER) cc_final: 0.6928 (tm-30) REVERT: AH 7 GLU cc_start: 0.7910 (OUTLIER) cc_final: 0.7125 (mt-10) REVERT: AH 30 LYS cc_start: 0.8270 (OUTLIER) cc_final: 0.7932 (pmmt) REVERT: BH 83 ARG cc_start: 0.7996 (OUTLIER) cc_final: 0.7789 (ptt90) REVERT: CH 34 ARG cc_start: 0.7857 (ttp-110) cc_final: 0.7530 (ttp-170) REVERT: DH 22 GLU cc_start: 0.7513 (OUTLIER) cc_final: 0.6775 (tm-30) REVERT: AI 7 GLU cc_start: 0.7946 (OUTLIER) cc_final: 0.7234 (mt-10) REVERT: AI 22 LYS cc_start: 0.8795 (OUTLIER) cc_final: 0.7513 (mppt) REVERT: DI 38 ARG cc_start: 0.8774 (OUTLIER) cc_final: 0.7336 (tmm-80) REVERT: AJ 22 LYS cc_start: 0.8881 (mptt) cc_final: 0.8506 (mmtt) REVERT: CJ 75 LEU cc_start: 0.8885 (OUTLIER) cc_final: 0.8684 (tp) REVERT: DJ 22 GLU cc_start: 0.7551 (OUTLIER) cc_final: 0.7053 (tp30) REVERT: DJ 66 ASP cc_start: 0.7188 (OUTLIER) cc_final: 0.6847 (t70) REVERT: AK 7 GLU cc_start: 0.7865 (OUTLIER) cc_final: 0.7075 (mm-30) REVERT: AK 8 LYS cc_start: 0.8491 (OUTLIER) cc_final: 0.8248 (pttm) REVERT: AK 28 TRP cc_start: 0.8650 (OUTLIER) cc_final: 0.7349 (p90) REVERT: BK 13 GLU cc_start: 0.8303 (tt0) cc_final: 0.8025 (tp30) REVERT: BK 70 ARG cc_start: 0.7125 (OUTLIER) cc_final: 0.6705 (mtp180) REVERT: BK 83 ARG cc_start: 0.8053 (ptt90) cc_final: 0.7695 (ptt180) REVERT: CK 34 ARG cc_start: 0.7755 (ttm110) cc_final: 0.7480 (ttp-170) REVERT: BL 75 LEU cc_start: 0.8836 (OUTLIER) cc_final: 0.8570 (tp) REVERT: CL 75 LEU cc_start: 0.8930 (OUTLIER) cc_final: 0.8594 (tp) REVERT: DL 13 GLU cc_start: 0.8578 (OUTLIER) cc_final: 0.8178 (tp30) REVERT: DL 22 GLU cc_start: 0.7606 (OUTLIER) cc_final: 0.6933 (tm-30) REVERT: AM 7 GLU cc_start: 0.7978 (OUTLIER) cc_final: 0.7243 (mt-10) REVERT: AM 30 LYS cc_start: 0.8338 (OUTLIER) cc_final: 0.8053 (pmmt) REVERT: BM 83 ARG cc_start: 0.7997 (OUTLIER) cc_final: 0.7749 (ptt90) REVERT: CM 34 ARG cc_start: 0.7855 (ttp-110) cc_final: 0.7527 (ttp-170) REVERT: AN 4 MET cc_start: 0.8163 (OUTLIER) cc_final: 0.7532 (mmm) REVERT: AN 7 GLU cc_start: 0.7979 (OUTLIER) cc_final: 0.7245 (mt-10) REVERT: AN 22 LYS cc_start: 0.8789 (OUTLIER) cc_final: 0.7533 (mppt) REVERT: CN 70 ARG cc_start: 0.6109 (OUTLIER) cc_final: 0.5894 (mtt90) REVERT: DN 38 ARG cc_start: 0.8788 (OUTLIER) cc_final: 0.7351 (tmm-80) REVERT: AO 22 LYS cc_start: 0.8892 (mptt) cc_final: 0.8515 (mmtt) REVERT: DO 22 GLU cc_start: 0.7536 (OUTLIER) cc_final: 0.7017 (tp30) REVERT: DO 66 ASP cc_start: 0.7219 (OUTLIER) cc_final: 0.6900 (t70) REVERT: AP 7 GLU cc_start: 0.7905 (OUTLIER) cc_final: 0.7091 (mt-10) REVERT: AP 8 LYS cc_start: 0.8586 (OUTLIER) cc_final: 0.8321 (pttm) REVERT: AP 28 TRP cc_start: 0.8625 (OUTLIER) cc_final: 0.7333 (p90) REVERT: BP 13 GLU cc_start: 0.8343 (tt0) cc_final: 0.8089 (tp30) REVERT: BP 70 ARG cc_start: 0.7138 (OUTLIER) cc_final: 0.6719 (mtp180) REVERT: CP 34 ARG cc_start: 0.7756 (ttm110) cc_final: 0.7485 (ttp-170) REVERT: AQ 30 LYS cc_start: 0.8197 (OUTLIER) cc_final: 0.7795 (pmmt) REVERT: BQ 75 LEU cc_start: 0.8836 (OUTLIER) cc_final: 0.8577 (tp) REVERT: CQ 75 LEU cc_start: 0.8920 (OUTLIER) cc_final: 0.8613 (tp) REVERT: DQ 13 GLU cc_start: 0.8599 (OUTLIER) cc_final: 0.8196 (tp30) REVERT: DQ 22 GLU cc_start: 0.7573 (OUTLIER) cc_final: 0.6937 (tm-30) REVERT: AR 7 GLU cc_start: 0.7954 (OUTLIER) cc_final: 0.7191 (mt-10) REVERT: BR 83 ARG cc_start: 0.7990 (OUTLIER) cc_final: 0.7780 (ptt90) REVERT: CR 34 ARG cc_start: 0.7860 (ttp-110) cc_final: 0.7537 (ttp-170) REVERT: DR 22 GLU cc_start: 0.7509 (OUTLIER) cc_final: 0.6775 (tm-30) REVERT: AS 7 GLU cc_start: 0.7954 (OUTLIER) cc_final: 0.7245 (mt-10) REVERT: AS 22 LYS cc_start: 0.8797 (OUTLIER) cc_final: 0.7503 (mppt) REVERT: DS 38 ARG cc_start: 0.8781 (OUTLIER) cc_final: 0.7344 (tmm-80) REVERT: AT 22 LYS cc_start: 0.8900 (mptt) cc_final: 0.8518 (mmtt) REVERT: DT 22 GLU cc_start: 0.7555 (OUTLIER) cc_final: 0.7052 (tp30) REVERT: DT 66 ASP cc_start: 0.7184 (OUTLIER) cc_final: 0.6844 (t70) REVERT: AV 7 GLU cc_start: 0.7934 (OUTLIER) cc_final: 0.7085 (mm-30) REVERT: AV 28 TRP cc_start: 0.8640 (OUTLIER) cc_final: 0.7273 (p90) REVERT: BV 13 GLU cc_start: 0.8309 (tt0) cc_final: 0.8067 (tp30) REVERT: BV 70 ARG cc_start: 0.7154 (OUTLIER) cc_final: 0.6757 (mtp180) REVERT: CV 34 ARG cc_start: 0.7782 (ttm110) cc_final: 0.7489 (ttp-170) REVERT: BW 75 LEU cc_start: 0.8852 (OUTLIER) cc_final: 0.8549 (tp) REVERT: CW 75 LEU cc_start: 0.8955 (OUTLIER) cc_final: 0.8625 (tp) REVERT: DW 13 GLU cc_start: 0.8617 (OUTLIER) cc_final: 0.8204 (tp30) REVERT: DW 22 GLU cc_start: 0.7556 (OUTLIER) cc_final: 0.6907 (tm-30) REVERT: AX 7 GLU cc_start: 0.7915 (OUTLIER) cc_final: 0.7178 (mt-10) REVERT: AX 30 LYS cc_start: 0.8285 (OUTLIER) cc_final: 0.7955 (pmmt) REVERT: BX 83 ARG cc_start: 0.8040 (OUTLIER) cc_final: 0.7794 (ptt90) REVERT: CX 34 ARG cc_start: 0.7882 (ttp-110) cc_final: 0.7543 (ttp-170) REVERT: AY 7 GLU cc_start: 0.7982 (OUTLIER) cc_final: 0.7268 (mt-10) REVERT: AY 22 LYS cc_start: 0.8765 (OUTLIER) cc_final: 0.7528 (mppt) REVERT: CY 70 ARG cc_start: 0.6138 (OUTLIER) cc_final: 0.5916 (mtt90) REVERT: DY 38 ARG cc_start: 0.8776 (OUTLIER) cc_final: 0.7338 (tmm-80) REVERT: AZ 22 LYS cc_start: 0.8877 (mptt) cc_final: 0.8499 (mmtt) REVERT: BZ 51 ARG cc_start: 0.8488 (mtp180) cc_final: 0.8273 (mtp180) REVERT: DZ 22 GLU cc_start: 0.7567 (OUTLIER) cc_final: 0.7076 (tp30) REVERT: DZ 66 ASP cc_start: 0.7174 (OUTLIER) cc_final: 0.6827 (t70) REVERT: Aa 7 GLU cc_start: 0.7823 (OUTLIER) cc_final: 0.6996 (mt-10) REVERT: Aa 8 LYS cc_start: 0.8476 (OUTLIER) cc_final: 0.8242 (pttm) REVERT: Aa 28 TRP cc_start: 0.8632 (OUTLIER) cc_final: 0.7372 (p90) REVERT: Ba 13 GLU cc_start: 0.8323 (tt0) cc_final: 0.8041 (tp30) REVERT: Ba 70 ARG cc_start: 0.7113 (OUTLIER) cc_final: 0.6720 (mtp180) REVERT: Ca 34 ARG cc_start: 0.7778 (ttm110) cc_final: 0.7495 (ttp-170) REVERT: Ab 1 MET cc_start: 0.8734 (mpp) cc_final: 0.8470 (mpt) REVERT: Ab 7 GLU cc_start: 0.7770 (OUTLIER) cc_final: 0.6995 (mt-10) REVERT: Ab 22 LYS cc_start: 0.8588 (mttp) cc_final: 0.8328 (mttt) REVERT: Ab 30 LYS cc_start: 0.8136 (OUTLIER) cc_final: 0.7808 (pmmt) REVERT: Bb 75 LEU cc_start: 0.8864 (OUTLIER) cc_final: 0.8605 (tp) REVERT: Cb 75 LEU cc_start: 0.8964 (OUTLIER) cc_final: 0.8651 (tp) REVERT: Db 13 GLU cc_start: 0.8615 (OUTLIER) cc_final: 0.8223 (tp30) REVERT: Db 22 GLU cc_start: 0.7563 (OUTLIER) cc_final: 0.6902 (tm-30) REVERT: Ac 7 GLU cc_start: 0.7938 (OUTLIER) cc_final: 0.7212 (mt-10) REVERT: Ac 30 LYS cc_start: 0.8297 (OUTLIER) cc_final: 0.7963 (pmmt) REVERT: Bc 83 ARG cc_start: 0.8033 (OUTLIER) cc_final: 0.7797 (ptt90) REVERT: Cc 34 ARG cc_start: 0.7873 (ttp-110) cc_final: 0.7540 (ttp-170) REVERT: Dc 22 GLU cc_start: 0.7504 (OUTLIER) cc_final: 0.6747 (tm-30) REVERT: Ad 7 GLU cc_start: 0.8021 (OUTLIER) cc_final: 0.7304 (mt-10) REVERT: Ad 22 LYS cc_start: 0.8773 (OUTLIER) cc_final: 0.7528 (mppt) REVERT: Dd 38 ARG cc_start: 0.8785 (OUTLIER) cc_final: 0.7338 (tmm-80) REVERT: Ae 22 LYS cc_start: 0.8876 (mptt) cc_final: 0.8493 (mmtt) REVERT: Ce 75 LEU cc_start: 0.8888 (OUTLIER) cc_final: 0.8687 (tp) REVERT: De 22 GLU cc_start: 0.7559 (OUTLIER) cc_final: 0.7060 (tp30) REVERT: De 66 ASP cc_start: 0.7197 (OUTLIER) cc_final: 0.6841 (t70) REVERT: Af 7 GLU cc_start: 0.7779 (OUTLIER) cc_final: 0.6939 (mt-10) REVERT: Af 28 TRP cc_start: 0.8638 (OUTLIER) cc_final: 0.7415 (p90) REVERT: Bf 13 GLU cc_start: 0.8293 (tt0) cc_final: 0.8009 (tp30) REVERT: Bf 70 ARG cc_start: 0.7138 (OUTLIER) cc_final: 0.6729 (mtp180) REVERT: Cf 34 ARG cc_start: 0.7765 (ttm110) cc_final: 0.7480 (ttp-170) REVERT: Df 34 ARG cc_start: 0.8000 (OUTLIER) cc_final: 0.7349 (ptt-90) REVERT: Bg 75 LEU cc_start: 0.8862 (OUTLIER) cc_final: 0.8551 (tp) REVERT: Cg 75 LEU cc_start: 0.8950 (OUTLIER) cc_final: 0.8629 (tp) REVERT: Dg 13 GLU cc_start: 0.8613 (OUTLIER) cc_final: 0.8213 (tp30) REVERT: Dg 22 GLU cc_start: 0.7551 (OUTLIER) cc_final: 0.6906 (tm-30) REVERT: Ah 7 GLU cc_start: 0.7916 (OUTLIER) cc_final: 0.7175 (mt-10) REVERT: Ah 30 LYS cc_start: 0.8290 (OUTLIER) cc_final: 0.7954 (pmmt) REVERT: Bh 83 ARG cc_start: 0.8036 (OUTLIER) cc_final: 0.7796 (ptt90) REVERT: Ch 34 ARG cc_start: 0.7885 (ttp-110) cc_final: 0.7544 (ttp-170) REVERT: Ai 4 MET cc_start: 0.8173 (OUTLIER) cc_final: 0.7523 (mmm) REVERT: Ai 7 GLU cc_start: 0.7997 (OUTLIER) cc_final: 0.7263 (mt-10) REVERT: Ai 22 LYS cc_start: 0.8775 (OUTLIER) cc_final: 0.7557 (mppt) REVERT: Ci 70 ARG cc_start: 0.6133 (OUTLIER) cc_final: 0.5911 (mtt90) REVERT: Di 38 ARG cc_start: 0.8783 (OUTLIER) cc_final: 0.7356 (tmm-80) REVERT: Aj 22 LYS cc_start: 0.8883 (mptt) cc_final: 0.8501 (mmtt) REVERT: Dj 22 GLU cc_start: 0.7563 (OUTLIER) cc_final: 0.7056 (tp30) REVERT: Dj 66 ASP cc_start: 0.7199 (OUTLIER) cc_final: 0.6847 (t70) REVERT: Ak 7 GLU cc_start: 0.7812 (OUTLIER) cc_final: 0.6994 (mt-10) REVERT: Ak 28 TRP cc_start: 0.8630 (OUTLIER) cc_final: 0.7321 (p90) REVERT: Bk 13 GLU cc_start: 0.8325 (tt0) cc_final: 0.8068 (tp30) REVERT: Bk 70 ARG cc_start: 0.7133 (OUTLIER) cc_final: 0.6726 (mtp180) REVERT: Ck 34 ARG cc_start: 0.7785 (ttm110) cc_final: 0.7502 (ttp-170) REVERT: Dk 34 ARG cc_start: 0.7993 (OUTLIER) cc_final: 0.7340 (ptt-90) REVERT: Al 7 GLU cc_start: 0.7812 (OUTLIER) cc_final: 0.6947 (mt-10) REVERT: Al 30 LYS cc_start: 0.8239 (OUTLIER) cc_final: 0.7712 (pmmt) REVERT: Bl 75 LEU cc_start: 0.8854 (OUTLIER) cc_final: 0.8607 (tp) REVERT: Cl 75 LEU cc_start: 0.8939 (OUTLIER) cc_final: 0.8631 (tp) REVERT: Dl 13 GLU cc_start: 0.8610 (OUTLIER) cc_final: 0.8212 (tp30) REVERT: Dl 22 GLU cc_start: 0.7552 (OUTLIER) cc_final: 0.6907 (tm-30) REVERT: Am 7 GLU cc_start: 0.7915 (OUTLIER) cc_final: 0.7182 (mt-10) REVERT: Bm 13 GLU cc_start: 0.8202 (tt0) cc_final: 0.7988 (tp30) REVERT: Bm 83 ARG cc_start: 0.8036 (OUTLIER) cc_final: 0.7797 (ptt90) REVERT: Cm 34 ARG cc_start: 0.7874 (ttp-110) cc_final: 0.7528 (ttp-170) REVERT: Dm 22 GLU cc_start: 0.7504 (OUTLIER) cc_final: 0.6749 (tm-30) REVERT: An 7 GLU cc_start: 0.8012 (OUTLIER) cc_final: 0.7275 (mt-10) REVERT: An 22 LYS cc_start: 0.8768 (OUTLIER) cc_final: 0.7531 (mppt) REVERT: An 30 LYS cc_start: 0.8157 (OUTLIER) cc_final: 0.7609 (pmmt) REVERT: Dn 38 ARG cc_start: 0.8779 (OUTLIER) cc_final: 0.7337 (tmm-80) REVERT: Ao 22 LYS cc_start: 0.8886 (mptt) cc_final: 0.8503 (mmtt) REVERT: Co 75 LEU cc_start: 0.8886 (OUTLIER) cc_final: 0.8685 (tp) REVERT: Do 22 GLU cc_start: 0.7533 (OUTLIER) cc_final: 0.7037 (tp30) REVERT: Do 66 ASP cc_start: 0.7204 (OUTLIER) cc_final: 0.6856 (t70) REVERT: Ap 7 GLU cc_start: 0.7871 (OUTLIER) cc_final: 0.7089 (mm-30) REVERT: Ap 28 TRP cc_start: 0.8643 (OUTLIER) cc_final: 0.7251 (p90) REVERT: Bp 13 GLU cc_start: 0.8337 (tt0) cc_final: 0.8047 (tp30) REVERT: Bp 70 ARG cc_start: 0.7132 (OUTLIER) cc_final: 0.6730 (mtp180) REVERT: Cp 34 ARG cc_start: 0.7773 (ttm110) cc_final: 0.7485 (ttp-170) REVERT: Aq 7 GLU cc_start: 0.7883 (OUTLIER) cc_final: 0.7110 (mt-10) REVERT: Aq 22 LYS cc_start: 0.8620 (mttt) cc_final: 0.8251 (mttt) REVERT: Aq 65 LYS cc_start: 0.8243 (OUTLIER) cc_final: 0.7896 (ptpp) REVERT: Bq 75 LEU cc_start: 0.8841 (OUTLIER) cc_final: 0.8514 (tp) REVERT: Cq 75 LEU cc_start: 0.8949 (OUTLIER) cc_final: 0.8639 (tp) REVERT: Dq 22 GLU cc_start: 0.7588 (OUTLIER) cc_final: 0.6922 (tm-30) REVERT: Ar 7 GLU cc_start: 0.7910 (OUTLIER) cc_final: 0.7158 (mt-10) REVERT: Ar 30 LYS cc_start: 0.8278 (OUTLIER) cc_final: 0.7948 (pmmt) REVERT: Br 83 ARG cc_start: 0.8030 (OUTLIER) cc_final: 0.7790 (ptt90) REVERT: Cr 34 ARG cc_start: 0.7866 (ttp-110) cc_final: 0.7531 (ttp-170) REVERT: As 7 GLU cc_start: 0.7983 (OUTLIER) cc_final: 0.7267 (mt-10) REVERT: As 22 LYS cc_start: 0.8785 (OUTLIER) cc_final: 0.7512 (mppt) REVERT: Cs 70 ARG cc_start: 0.6115 (OUTLIER) cc_final: 0.5891 (mtt90) REVERT: Ds 38 ARG cc_start: 0.8790 (OUTLIER) cc_final: 0.7347 (tmm-80) REVERT: At 22 LYS cc_start: 0.8897 (mptt) cc_final: 0.8512 (mmtt) REVERT: Dt 22 GLU cc_start: 0.7538 (OUTLIER) cc_final: 0.7009 (tp30) REVERT: Dt 66 ASP cc_start: 0.7182 (OUTLIER) cc_final: 0.6832 (t70) REVERT: Av 7 GLU cc_start: 0.7826 (OUTLIER) cc_final: 0.6953 (mt-10) REVERT: Av 28 TRP cc_start: 0.8640 (OUTLIER) cc_final: 0.7416 (p90) REVERT: Av 65 LYS cc_start: 0.8380 (OUTLIER) cc_final: 0.8143 (ptpp) REVERT: Bv 13 GLU cc_start: 0.8334 (tt0) cc_final: 0.8081 (tp30) REVERT: Bv 70 ARG cc_start: 0.7130 (OUTLIER) cc_final: 0.6727 (mtp180) REVERT: Cv 34 ARG cc_start: 0.7777 (ttm110) cc_final: 0.7489 (ttp-170) REVERT: Dv 34 ARG cc_start: 0.8004 (OUTLIER) cc_final: 0.7362 (ptt-90) REVERT: Bw 75 LEU cc_start: 0.8835 (OUTLIER) cc_final: 0.8577 (tp) REVERT: Cw 75 LEU cc_start: 0.8943 (OUTLIER) cc_final: 0.8615 (tp) REVERT: Dw 13 GLU cc_start: 0.8614 (OUTLIER) cc_final: 0.8209 (tp30) REVERT: Dw 22 GLU cc_start: 0.7575 (OUTLIER) cc_final: 0.6933 (tm-30) REVERT: Ax 7 GLU cc_start: 0.7908 (OUTLIER) cc_final: 0.7162 (mt-10) REVERT: Ax 30 LYS cc_start: 0.8272 (OUTLIER) cc_final: 0.7954 (pmmt) REVERT: Bx 83 ARG cc_start: 0.8031 (OUTLIER) cc_final: 0.7779 (ptt90) REVERT: Cx 34 ARG cc_start: 0.7868 (ttp-110) cc_final: 0.7536 (ttp-170) REVERT: Dx 22 GLU cc_start: 0.7527 (OUTLIER) cc_final: 0.6785 (tm-30) REVERT: Ay 4 MET cc_start: 0.8183 (OUTLIER) cc_final: 0.7588 (mmm) REVERT: Ay 7 GLU cc_start: 0.7978 (OUTLIER) cc_final: 0.7191 (mt-10) REVERT: Ay 22 LYS cc_start: 0.8767 (OUTLIER) cc_final: 0.7500 (mppt) REVERT: Dy 38 ARG cc_start: 0.8782 (OUTLIER) cc_final: 0.7331 (tmm-80) REVERT: Az 7 GLU cc_start: 0.7830 (OUTLIER) cc_final: 0.7022 (mm-30) REVERT: Az 22 LYS cc_start: 0.8887 (mptt) cc_final: 0.8499 (mmtt) REVERT: Az 65 LYS cc_start: 0.8372 (OUTLIER) cc_final: 0.8026 (ptpp) REVERT: Cz 75 LEU cc_start: 0.8890 (OUTLIER) cc_final: 0.8690 (tp) REVERT: Dz 22 GLU cc_start: 0.7554 (OUTLIER) cc_final: 0.7050 (tp30) REVERT: Dz 66 ASP cc_start: 0.7185 (OUTLIER) cc_final: 0.6829 (t70) REVERT: A0 7 GLU cc_start: 0.7827 (OUTLIER) cc_final: 0.6978 (mt-10) REVERT: A0 8 LYS cc_start: 0.8541 (OUTLIER) cc_final: 0.8275 (pttm) REVERT: A0 28 TRP cc_start: 0.8620 (OUTLIER) cc_final: 0.7389 (p90) REVERT: B0 13 GLU cc_start: 0.8301 (tt0) cc_final: 0.8016 (tp30) REVERT: B0 70 ARG cc_start: 0.7124 (OUTLIER) cc_final: 0.6723 (mtp180) REVERT: C0 34 ARG cc_start: 0.7775 (ttm110) cc_final: 0.7493 (ttp-170) REVERT: B1 75 LEU cc_start: 0.8834 (OUTLIER) cc_final: 0.8573 (tp) REVERT: C1 75 LEU cc_start: 0.8935 (OUTLIER) cc_final: 0.8608 (tp) REVERT: D1 13 GLU cc_start: 0.8588 (OUTLIER) cc_final: 0.8193 (tp30) REVERT: D1 22 GLU cc_start: 0.7591 (OUTLIER) cc_final: 0.6916 (tm-30) REVERT: A2 7 GLU cc_start: 0.7934 (OUTLIER) cc_final: 0.7179 (mt-10) REVERT: B2 13 GLU cc_start: 0.8186 (tt0) cc_final: 0.7974 (tp30) REVERT: C2 34 ARG cc_start: 0.7861 (ttp-110) cc_final: 0.7540 (ttp-170) REVERT: D2 22 GLU cc_start: 0.7526 (OUTLIER) cc_final: 0.6796 (tm-30) REVERT: A3 4 MET cc_start: 0.8161 (OUTLIER) cc_final: 0.7576 (mmm) REVERT: A3 7 GLU cc_start: 0.7963 (OUTLIER) cc_final: 0.7152 (mt-10) REVERT: A3 22 LYS cc_start: 0.8776 (OUTLIER) cc_final: 0.7514 (mppt) REVERT: C3 70 ARG cc_start: 0.6117 (OUTLIER) cc_final: 0.5885 (mtt90) REVERT: A4 22 LYS cc_start: 0.8888 (mptt) cc_final: 0.8503 (mmtt) REVERT: D4 22 GLU cc_start: 0.7540 (OUTLIER) cc_final: 0.7029 (tp30) REVERT: D4 66 ASP cc_start: 0.7199 (OUTLIER) cc_final: 0.6856 (t70) REVERT: A5 7 GLU cc_start: 0.7848 (OUTLIER) cc_final: 0.6997 (mt-10) REVERT: A5 8 LYS cc_start: 0.8492 (OUTLIER) cc_final: 0.8262 (pttm) REVERT: A5 28 TRP cc_start: 0.8634 (OUTLIER) cc_final: 0.7398 (p90) REVERT: A5 65 LYS cc_start: 0.8356 (OUTLIER) cc_final: 0.8121 (ptpp) REVERT: B5 13 GLU cc_start: 0.8324 (tt0) cc_final: 0.8060 (tp30) REVERT: B5 70 ARG cc_start: 0.7132 (OUTLIER) cc_final: 0.6731 (mtp180) REVERT: B5 83 ARG cc_start: 0.8043 (ptt90) cc_final: 0.7714 (ptt180) REVERT: C5 34 ARG cc_start: 0.7780 (ttm110) cc_final: 0.7498 (ttp-170) REVERT: B6 75 LEU cc_start: 0.8825 (OUTLIER) cc_final: 0.8560 (tp) REVERT: C6 75 LEU cc_start: 0.8944 (OUTLIER) cc_final: 0.8620 (tp) REVERT: D6 13 GLU cc_start: 0.8589 (OUTLIER) cc_final: 0.8192 (tp30) REVERT: D6 22 GLU cc_start: 0.7589 (OUTLIER) cc_final: 0.6912 (tm-30) REVERT: A7 7 GLU cc_start: 0.7910 (OUTLIER) cc_final: 0.7164 (mt-10) REVERT: A7 30 LYS cc_start: 0.8282 (OUTLIER) cc_final: 0.7953 (pmmt) REVERT: B7 83 ARG cc_start: 0.8025 (OUTLIER) cc_final: 0.7813 (ptt90) REVERT: C7 34 ARG cc_start: 0.7867 (ttp-110) cc_final: 0.7535 (ttp-170) REVERT: D7 22 GLU cc_start: 0.7524 (OUTLIER) cc_final: 0.6786 (tm-30) REVERT: A8 4 MET cc_start: 0.8171 (OUTLIER) cc_final: 0.7573 (mmm) REVERT: A8 7 GLU cc_start: 0.7981 (OUTLIER) cc_final: 0.7265 (mt-10) REVERT: A8 22 LYS cc_start: 0.8765 (OUTLIER) cc_final: 0.7502 (mppt) REVERT: C8 70 ARG cc_start: 0.6112 (OUTLIER) cc_final: 0.5877 (mtt90) REVERT: D8 38 ARG cc_start: 0.8788 (OUTLIER) cc_final: 0.7356 (tmm-80) REVERT: A9 22 LYS cc_start: 0.8896 (mptt) cc_final: 0.8508 (mmtt) REVERT: D9 22 GLU cc_start: 0.7552 (OUTLIER) cc_final: 0.7048 (tp30) REVERT: D9 66 ASP cc_start: 0.7181 (OUTLIER) cc_final: 0.6828 (t70) outliers start: 702 outliers final: 327 residues processed: 3850 average time/residue: 2.4299 time to fit residues: 12457.3003 Evaluate side-chains 4084 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 548 poor density : 3536 time to evaluate : 10.455 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 7 GLU Chi-restraints excluded: chain AA residue 8 LYS Chi-restraints excluded: chain AA residue 10 LEU Chi-restraints excluded: chain AA residue 28 TRP Chi-restraints excluded: chain BA residue 70 ARG Chi-restraints excluded: chain CA residue 83 ARG Chi-restraints excluded: chain CA residue 88 VAL Chi-restraints excluded: chain DA residue 27 MET Chi-restraints excluded: chain DA residue 48 VAL Chi-restraints excluded: chain AB residue 7 GLU Chi-restraints excluded: chain BB residue 75 LEU Chi-restraints excluded: chain CB residue 13 GLU Chi-restraints excluded: chain CB residue 75 LEU Chi-restraints excluded: chain DB residue 13 GLU Chi-restraints excluded: chain DB residue 22 GLU Chi-restraints excluded: chain DB residue 38 ARG Chi-restraints excluded: chain DB residue 48 VAL Chi-restraints excluded: chain AC residue 7 GLU Chi-restraints excluded: chain AC residue 28 TRP Chi-restraints excluded: chain AC residue 30 LYS Chi-restraints excluded: chain AC residue 35 ARG Chi-restraints excluded: chain BC residue 75 LEU Chi-restraints excluded: chain BC residue 83 ARG Chi-restraints excluded: chain CC residue 84 VAL Chi-restraints excluded: chain DC residue 48 VAL Chi-restraints excluded: chain DC residue 66 ASP Chi-restraints excluded: chain AD residue 7 GLU Chi-restraints excluded: chain AD residue 22 LYS Chi-restraints excluded: chain AD residue 28 TRP Chi-restraints excluded: chain BD residue 28 THR Chi-restraints excluded: chain BD residue 75 LEU Chi-restraints excluded: chain BD residue 84 VAL Chi-restraints excluded: chain CD residue 83 ARG Chi-restraints excluded: chain DD residue 38 ARG Chi-restraints excluded: chain DD residue 48 VAL Chi-restraints excluded: chain DD residue 66 ASP Chi-restraints excluded: chain DD residue 86 SER Chi-restraints excluded: chain AE residue 30 LYS Chi-restraints excluded: chain AE residue 39 VAL Chi-restraints excluded: chain CE residue 75 LEU Chi-restraints excluded: chain DE residue 22 GLU Chi-restraints excluded: chain DE residue 48 VAL Chi-restraints excluded: chain DE residue 66 ASP Chi-restraints excluded: chain AF residue 7 GLU Chi-restraints excluded: chain AF residue 8 LYS Chi-restraints excluded: chain AF residue 10 LEU Chi-restraints excluded: chain AF residue 28 TRP Chi-restraints excluded: chain BF residue 70 ARG Chi-restraints excluded: chain CF residue 83 ARG Chi-restraints excluded: chain CF residue 88 VAL Chi-restraints excluded: chain DF residue 27 MET Chi-restraints excluded: chain DF residue 48 VAL Chi-restraints excluded: chain AG residue 7 GLU Chi-restraints excluded: chain AG residue 28 TRP Chi-restraints excluded: chain BG residue 75 LEU Chi-restraints excluded: chain CG residue 11 MET Chi-restraints excluded: chain CG residue 13 GLU Chi-restraints excluded: chain CG residue 75 LEU Chi-restraints excluded: chain DG residue 13 GLU Chi-restraints excluded: chain DG residue 22 GLU Chi-restraints excluded: chain DG residue 38 ARG Chi-restraints excluded: chain DG residue 48 VAL Chi-restraints excluded: chain AH residue 7 GLU Chi-restraints excluded: chain AH residue 28 TRP Chi-restraints excluded: chain AH residue 30 LYS Chi-restraints excluded: chain AH residue 35 ARG Chi-restraints excluded: chain BH residue 83 ARG Chi-restraints excluded: chain DH residue 22 GLU Chi-restraints excluded: chain DH residue 38 ARG Chi-restraints excluded: chain DH residue 48 VAL Chi-restraints excluded: chain DH residue 66 ASP Chi-restraints excluded: chain AI residue 7 GLU Chi-restraints excluded: chain AI residue 22 LYS Chi-restraints excluded: chain AI residue 28 TRP Chi-restraints excluded: chain BI residue 28 THR Chi-restraints excluded: chain BI residue 75 LEU Chi-restraints excluded: chain DI residue 38 ARG Chi-restraints excluded: chain DI residue 48 VAL Chi-restraints excluded: chain DI residue 66 ASP Chi-restraints excluded: chain AJ residue 30 LYS Chi-restraints excluded: chain AJ residue 39 VAL Chi-restraints excluded: chain CJ residue 75 LEU Chi-restraints excluded: chain DJ residue 13 GLU Chi-restraints excluded: chain DJ residue 22 GLU Chi-restraints excluded: chain DJ residue 48 VAL Chi-restraints excluded: chain DJ residue 66 ASP Chi-restraints excluded: chain AK residue 7 GLU Chi-restraints excluded: chain AK residue 8 LYS Chi-restraints excluded: chain AK residue 10 LEU Chi-restraints excluded: chain AK residue 28 TRP Chi-restraints excluded: chain BK residue 70 ARG Chi-restraints excluded: chain CK residue 83 ARG Chi-restraints excluded: chain CK residue 88 VAL Chi-restraints excluded: chain DK residue 27 MET Chi-restraints excluded: chain DK residue 48 VAL Chi-restraints excluded: chain DK residue 69 GLU Chi-restraints excluded: chain AL residue 7 GLU Chi-restraints excluded: chain AL residue 28 TRP Chi-restraints excluded: chain BL residue 75 LEU Chi-restraints excluded: chain CL residue 11 MET Chi-restraints excluded: chain CL residue 13 GLU Chi-restraints excluded: chain CL residue 75 LEU Chi-restraints excluded: chain DL residue 13 GLU Chi-restraints excluded: chain DL residue 22 GLU Chi-restraints excluded: chain DL residue 38 ARG Chi-restraints excluded: chain DL residue 48 VAL Chi-restraints excluded: chain AM residue 7 GLU Chi-restraints excluded: chain AM residue 28 TRP Chi-restraints excluded: chain AM residue 30 LYS Chi-restraints excluded: chain BM residue 83 ARG Chi-restraints excluded: chain DM residue 38 ARG Chi-restraints excluded: chain DM residue 48 VAL Chi-restraints excluded: chain DM residue 66 ASP Chi-restraints excluded: chain AN residue 4 MET Chi-restraints excluded: chain AN residue 7 GLU Chi-restraints excluded: chain AN residue 22 LYS Chi-restraints excluded: chain AN residue 28 TRP Chi-restraints excluded: chain BN residue 28 THR Chi-restraints excluded: chain BN residue 75 LEU Chi-restraints excluded: chain BN residue 84 VAL Chi-restraints excluded: chain CN residue 70 ARG Chi-restraints excluded: chain DN residue 38 ARG Chi-restraints excluded: chain DN residue 48 VAL Chi-restraints excluded: chain DN residue 66 ASP Chi-restraints excluded: chain DN residue 86 SER Chi-restraints excluded: chain AO residue 30 LYS Chi-restraints excluded: chain AO residue 39 VAL Chi-restraints excluded: chain CO residue 88 VAL Chi-restraints excluded: chain DO residue 22 GLU Chi-restraints excluded: chain DO residue 48 VAL Chi-restraints excluded: chain DO residue 66 ASP Chi-restraints excluded: chain AP residue 7 GLU Chi-restraints excluded: chain AP residue 8 LYS Chi-restraints excluded: chain AP residue 10 LEU Chi-restraints excluded: chain AP residue 28 TRP Chi-restraints excluded: chain BP residue 70 ARG Chi-restraints excluded: chain CP residue 83 ARG Chi-restraints excluded: chain CP residue 88 VAL Chi-restraints excluded: chain DP residue 27 MET Chi-restraints excluded: chain DP residue 48 VAL Chi-restraints excluded: chain DP residue 69 GLU Chi-restraints excluded: chain AQ residue 7 GLU Chi-restraints excluded: chain AQ residue 28 TRP Chi-restraints excluded: chain AQ residue 30 LYS Chi-restraints excluded: chain BQ residue 75 LEU Chi-restraints excluded: chain CQ residue 13 GLU Chi-restraints excluded: chain CQ residue 75 LEU Chi-restraints excluded: chain DQ residue 13 GLU Chi-restraints excluded: chain DQ residue 22 GLU Chi-restraints excluded: chain DQ residue 48 VAL Chi-restraints excluded: chain AR residue 7 GLU Chi-restraints excluded: chain AR residue 28 TRP Chi-restraints excluded: chain AR residue 35 ARG Chi-restraints excluded: chain BR residue 75 LEU Chi-restraints excluded: chain BR residue 83 ARG Chi-restraints excluded: chain CR residue 84 VAL Chi-restraints excluded: chain DR residue 22 GLU Chi-restraints excluded: chain DR residue 48 VAL Chi-restraints excluded: chain DR residue 66 ASP Chi-restraints excluded: chain AS residue 7 GLU Chi-restraints excluded: chain AS residue 22 LYS Chi-restraints excluded: chain AS residue 28 TRP Chi-restraints excluded: chain BS residue 28 THR Chi-restraints excluded: chain BS residue 75 LEU Chi-restraints excluded: chain DS residue 38 ARG Chi-restraints excluded: chain DS residue 48 VAL Chi-restraints excluded: chain DS residue 66 ASP Chi-restraints excluded: chain AT residue 30 LYS Chi-restraints excluded: chain AT residue 39 VAL Chi-restraints excluded: chain BT residue 83 ARG Chi-restraints excluded: chain CT residue 88 VAL Chi-restraints excluded: chain DT residue 22 GLU Chi-restraints excluded: chain DT residue 48 VAL Chi-restraints excluded: chain DT residue 66 ASP Chi-restraints excluded: chain AV residue 7 GLU Chi-restraints excluded: chain AV residue 10 LEU Chi-restraints excluded: chain AV residue 28 TRP Chi-restraints excluded: chain BV residue 70 ARG Chi-restraints excluded: chain CV residue 83 ARG Chi-restraints excluded: chain CV residue 88 VAL Chi-restraints excluded: chain DV residue 27 MET Chi-restraints excluded: chain DV residue 48 VAL Chi-restraints excluded: chain AW residue 7 GLU Chi-restraints excluded: chain AW residue 28 TRP Chi-restraints excluded: chain BW residue 75 LEU Chi-restraints excluded: chain CW residue 13 GLU Chi-restraints excluded: chain CW residue 75 LEU Chi-restraints excluded: chain DW residue 13 GLU Chi-restraints excluded: chain DW residue 22 GLU Chi-restraints excluded: chain DW residue 48 VAL Chi-restraints excluded: chain AX residue 7 GLU Chi-restraints excluded: chain AX residue 28 TRP Chi-restraints excluded: chain AX residue 30 LYS Chi-restraints excluded: chain AX residue 35 ARG Chi-restraints excluded: chain BX residue 75 LEU Chi-restraints excluded: chain BX residue 83 ARG Chi-restraints excluded: chain CX residue 84 VAL Chi-restraints excluded: chain DX residue 48 VAL Chi-restraints excluded: chain DX residue 66 ASP Chi-restraints excluded: chain AY residue 7 GLU Chi-restraints excluded: chain AY residue 22 LYS Chi-restraints excluded: chain AY residue 28 TRP Chi-restraints excluded: chain BY residue 28 THR Chi-restraints excluded: chain BY residue 75 LEU Chi-restraints excluded: chain BY residue 84 VAL Chi-restraints excluded: chain CY residue 70 ARG Chi-restraints excluded: chain DY residue 38 ARG Chi-restraints excluded: chain DY residue 48 VAL Chi-restraints excluded: chain DY residue 66 ASP Chi-restraints excluded: chain DY residue 86 SER Chi-restraints excluded: chain AZ residue 30 LYS Chi-restraints excluded: chain AZ residue 39 VAL Chi-restraints excluded: chain CZ residue 84 VAL Chi-restraints excluded: chain CZ residue 88 VAL Chi-restraints excluded: chain DZ residue 13 GLU Chi-restraints excluded: chain DZ residue 22 GLU Chi-restraints excluded: chain DZ residue 48 VAL Chi-restraints excluded: chain DZ residue 66 ASP Chi-restraints excluded: chain Aa residue 7 GLU Chi-restraints excluded: chain Aa residue 8 LYS Chi-restraints excluded: chain Aa residue 10 LEU Chi-restraints excluded: chain Aa residue 28 TRP Chi-restraints excluded: chain Ba residue 70 ARG Chi-restraints excluded: chain Ca residue 83 ARG Chi-restraints excluded: chain Ca residue 88 VAL Chi-restraints excluded: chain Da residue 27 MET Chi-restraints excluded: chain Da residue 48 VAL Chi-restraints excluded: chain Ab residue 7 GLU Chi-restraints excluded: chain Ab residue 30 LYS Chi-restraints excluded: chain Bb residue 75 LEU Chi-restraints excluded: chain Cb residue 11 MET Chi-restraints excluded: chain Cb residue 13 GLU Chi-restraints excluded: chain Cb residue 75 LEU Chi-restraints excluded: chain Db residue 13 GLU Chi-restraints excluded: chain Db residue 22 GLU Chi-restraints excluded: chain Db residue 38 ARG Chi-restraints excluded: chain Db residue 48 VAL Chi-restraints excluded: chain Ac residue 7 GLU Chi-restraints excluded: chain Ac residue 28 TRP Chi-restraints excluded: chain Ac residue 30 LYS Chi-restraints excluded: chain Ac residue 35 ARG Chi-restraints excluded: chain Bc residue 83 ARG Chi-restraints excluded: chain Cc residue 84 VAL Chi-restraints excluded: chain Dc residue 22 GLU Chi-restraints excluded: chain Dc residue 38 ARG Chi-restraints excluded: chain Dc residue 48 VAL Chi-restraints excluded: chain Dc residue 66 ASP Chi-restraints excluded: chain Ad residue 7 GLU Chi-restraints excluded: chain Ad residue 22 LYS Chi-restraints excluded: chain Ad residue 28 TRP Chi-restraints excluded: chain Bd residue 28 THR Chi-restraints excluded: chain Bd residue 75 LEU Chi-restraints excluded: chain Cd residue 83 ARG Chi-restraints excluded: chain Dd residue 38 ARG Chi-restraints excluded: chain Dd residue 48 VAL Chi-restraints excluded: chain Dd residue 66 ASP Chi-restraints excluded: chain Dd residue 86 SER Chi-restraints excluded: chain Ae residue 30 LYS Chi-restraints excluded: chain Ae residue 39 VAL Chi-restraints excluded: chain Ce residue 75 LEU Chi-restraints excluded: chain Ce residue 84 VAL Chi-restraints excluded: chain Ce residue 88 VAL Chi-restraints excluded: chain De residue 13 GLU Chi-restraints excluded: chain De residue 22 GLU Chi-restraints excluded: chain De residue 48 VAL Chi-restraints excluded: chain De residue 66 ASP Chi-restraints excluded: chain Af residue 7 GLU Chi-restraints excluded: chain Af residue 10 LEU Chi-restraints excluded: chain Af residue 28 TRP Chi-restraints excluded: chain Bf residue 70 ARG Chi-restraints excluded: chain Cf residue 83 ARG Chi-restraints excluded: chain Cf residue 88 VAL Chi-restraints excluded: chain Df residue 27 MET Chi-restraints excluded: chain Df residue 34 ARG Chi-restraints excluded: chain Df residue 48 VAL Chi-restraints excluded: chain Ag residue 7 GLU Chi-restraints excluded: chain Ag residue 28 TRP Chi-restraints excluded: chain Bg residue 75 LEU Chi-restraints excluded: chain Cg residue 11 MET Chi-restraints excluded: chain Cg residue 13 GLU Chi-restraints excluded: chain Cg residue 75 LEU Chi-restraints excluded: chain Dg residue 13 GLU Chi-restraints excluded: chain Dg residue 22 GLU Chi-restraints excluded: chain Dg residue 48 VAL Chi-restraints excluded: chain Ah residue 7 GLU Chi-restraints excluded: chain Ah residue 28 TRP Chi-restraints excluded: chain Ah residue 30 LYS Chi-restraints excluded: chain Ah residue 35 ARG Chi-restraints excluded: chain Bh residue 83 ARG Chi-restraints excluded: chain Dh residue 48 VAL Chi-restraints excluded: chain Dh residue 66 ASP Chi-restraints excluded: chain Ai residue 4 MET Chi-restraints excluded: chain Ai residue 7 GLU Chi-restraints excluded: chain Ai residue 22 LYS Chi-restraints excluded: chain Ai residue 28 TRP Chi-restraints excluded: chain Bi residue 28 THR Chi-restraints excluded: chain Bi residue 75 LEU Chi-restraints excluded: chain Bi residue 83 ARG Chi-restraints excluded: chain Ci residue 70 ARG Chi-restraints excluded: chain Di residue 13 GLU Chi-restraints excluded: chain Di residue 38 ARG Chi-restraints excluded: chain Di residue 48 VAL Chi-restraints excluded: chain Di residue 66 ASP Chi-restraints excluded: chain Di residue 86 SER Chi-restraints excluded: chain Aj residue 30 LYS Chi-restraints excluded: chain Aj residue 39 VAL Chi-restraints excluded: chain Bj residue 83 ARG Chi-restraints excluded: chain Cj residue 69 GLU Chi-restraints excluded: chain Cj residue 70 ARG Chi-restraints excluded: chain Cj residue 88 VAL Chi-restraints excluded: chain Dj residue 13 GLU Chi-restraints excluded: chain Dj residue 22 GLU Chi-restraints excluded: chain Dj residue 48 VAL Chi-restraints excluded: chain Dj residue 66 ASP Chi-restraints excluded: chain Ak residue 2 LYS Chi-restraints excluded: chain Ak residue 7 GLU Chi-restraints excluded: chain Ak residue 10 LEU Chi-restraints excluded: chain Ak residue 28 TRP Chi-restraints excluded: chain Bk residue 70 ARG Chi-restraints excluded: chain Ck residue 83 ARG Chi-restraints excluded: chain Ck residue 88 VAL Chi-restraints excluded: chain Dk residue 27 MET Chi-restraints excluded: chain Dk residue 34 ARG Chi-restraints excluded: chain Dk residue 48 VAL Chi-restraints excluded: chain Dk residue 69 GLU Chi-restraints excluded: chain Al residue 7 GLU Chi-restraints excluded: chain Al residue 30 LYS Chi-restraints excluded: chain Bl residue 75 LEU Chi-restraints excluded: chain Cl residue 11 MET Chi-restraints excluded: chain Cl residue 13 GLU Chi-restraints excluded: chain Cl residue 75 LEU Chi-restraints excluded: chain Dl residue 13 GLU Chi-restraints excluded: chain Dl residue 22 GLU Chi-restraints excluded: chain Dl residue 48 VAL Chi-restraints excluded: chain Am residue 7 GLU Chi-restraints excluded: chain Am residue 28 TRP Chi-restraints excluded: chain Am residue 35 ARG Chi-restraints excluded: chain Bm residue 75 LEU Chi-restraints excluded: chain Bm residue 83 ARG Chi-restraints excluded: chain Cm residue 84 VAL Chi-restraints excluded: chain Dm residue 22 GLU Chi-restraints excluded: chain Dm residue 48 VAL Chi-restraints excluded: chain Dm residue 66 ASP Chi-restraints excluded: chain An residue 7 GLU Chi-restraints excluded: chain An residue 22 LYS Chi-restraints excluded: chain An residue 28 TRP Chi-restraints excluded: chain An residue 30 LYS Chi-restraints excluded: chain Bn residue 28 THR Chi-restraints excluded: chain Bn residue 75 LEU Chi-restraints excluded: chain Cn residue 83 ARG Chi-restraints excluded: chain Dn residue 38 ARG Chi-restraints excluded: chain Dn residue 48 VAL Chi-restraints excluded: chain Dn residue 66 ASP Chi-restraints excluded: chain Dn residue 86 SER Chi-restraints excluded: chain Ao residue 30 LYS Chi-restraints excluded: chain Ao residue 39 VAL Chi-restraints excluded: chain Co residue 75 LEU Chi-restraints excluded: chain Co residue 84 VAL Chi-restraints excluded: chain Co residue 88 VAL Chi-restraints excluded: chain Do residue 22 GLU Chi-restraints excluded: chain Do residue 48 VAL Chi-restraints excluded: chain Do residue 66 ASP Chi-restraints excluded: chain Ap residue 2 LYS Chi-restraints excluded: chain Ap residue 7 GLU Chi-restraints excluded: chain Ap residue 10 LEU Chi-restraints excluded: chain Ap residue 28 TRP Chi-restraints excluded: chain Bp residue 70 ARG Chi-restraints excluded: chain Cp residue 83 ARG Chi-restraints excluded: chain Cp residue 88 VAL Chi-restraints excluded: chain Dp residue 27 MET Chi-restraints excluded: chain Dp residue 48 VAL Chi-restraints excluded: chain Aq residue 7 GLU Chi-restraints excluded: chain Aq residue 65 LYS Chi-restraints excluded: chain Bq residue 75 LEU Chi-restraints excluded: chain Cq residue 11 MET Chi-restraints excluded: chain Cq residue 13 GLU Chi-restraints excluded: chain Cq residue 75 LEU Chi-restraints excluded: chain Dq residue 22 GLU Chi-restraints excluded: chain Dq residue 48 VAL Chi-restraints excluded: chain Ar residue 7 GLU Chi-restraints excluded: chain Ar residue 28 TRP Chi-restraints excluded: chain Ar residue 30 LYS Chi-restraints excluded: chain Ar residue 35 ARG Chi-restraints excluded: chain Br residue 83 ARG Chi-restraints excluded: chain Dr residue 38 ARG Chi-restraints excluded: chain Dr residue 48 VAL Chi-restraints excluded: chain Dr residue 66 ASP Chi-restraints excluded: chain As residue 7 GLU Chi-restraints excluded: chain As residue 22 LYS Chi-restraints excluded: chain As residue 28 TRP Chi-restraints excluded: chain Bs residue 28 THR Chi-restraints excluded: chain Bs residue 75 LEU Chi-restraints excluded: chain Bs residue 84 VAL Chi-restraints excluded: chain Cs residue 70 ARG Chi-restraints excluded: chain Ds residue 38 ARG Chi-restraints excluded: chain Ds residue 48 VAL Chi-restraints excluded: chain Ds residue 66 ASP Chi-restraints excluded: chain Ds residue 86 SER Chi-restraints excluded: chain At residue 30 LYS Chi-restraints excluded: chain At residue 39 VAL Chi-restraints excluded: chain Ct residue 84 VAL Chi-restraints excluded: chain Ct residue 88 VAL Chi-restraints excluded: chain Dt residue 22 GLU Chi-restraints excluded: chain Dt residue 48 VAL Chi-restraints excluded: chain Dt residue 66 ASP Chi-restraints excluded: chain Av residue 7 GLU Chi-restraints excluded: chain Av residue 28 TRP Chi-restraints excluded: chain Av residue 65 LYS Chi-restraints excluded: chain Bv residue 70 ARG Chi-restraints excluded: chain Cv residue 83 ARG Chi-restraints excluded: chain Cv residue 88 VAL Chi-restraints excluded: chain Dv residue 27 MET Chi-restraints excluded: chain Dv residue 34 ARG Chi-restraints excluded: chain Dv residue 48 VAL Chi-restraints excluded: chain Aw residue 7 GLU Chi-restraints excluded: chain Aw residue 28 TRP Chi-restraints excluded: chain Bw residue 75 LEU Chi-restraints excluded: chain Cw residue 11 MET Chi-restraints excluded: chain Cw residue 13 GLU Chi-restraints excluded: chain Cw residue 75 LEU Chi-restraints excluded: chain Dw residue 13 GLU Chi-restraints excluded: chain Dw residue 22 GLU Chi-restraints excluded: chain Dw residue 38 ARG Chi-restraints excluded: chain Dw residue 48 VAL Chi-restraints excluded: chain Ax residue 7 GLU Chi-restraints excluded: chain Ax residue 28 TRP Chi-restraints excluded: chain Ax residue 30 LYS Chi-restraints excluded: chain Ax residue 35 ARG Chi-restraints excluded: chain Bx residue 75 LEU Chi-restraints excluded: chain Bx residue 83 ARG Chi-restraints excluded: chain Cx residue 84 VAL Chi-restraints excluded: chain Dx residue 22 GLU Chi-restraints excluded: chain Dx residue 38 ARG Chi-restraints excluded: chain Dx residue 48 VAL Chi-restraints excluded: chain Dx residue 66 ASP Chi-restraints excluded: chain Ay residue 4 MET Chi-restraints excluded: chain Ay residue 7 GLU Chi-restraints excluded: chain Ay residue 22 LYS Chi-restraints excluded: chain Ay residue 28 TRP Chi-restraints excluded: chain By residue 28 THR Chi-restraints excluded: chain By residue 75 LEU Chi-restraints excluded: chain Dy residue 38 ARG Chi-restraints excluded: chain Dy residue 48 VAL Chi-restraints excluded: chain Dy residue 66 ASP Chi-restraints excluded: chain Az residue 7 GLU Chi-restraints excluded: chain Az residue 30 LYS Chi-restraints excluded: chain Az residue 65 LYS Chi-restraints excluded: chain Cz residue 75 LEU Chi-restraints excluded: chain Cz residue 84 VAL Chi-restraints excluded: chain Cz residue 88 VAL Chi-restraints excluded: chain Dz residue 13 GLU Chi-restraints excluded: chain Dz residue 22 GLU Chi-restraints excluded: chain Dz residue 48 VAL Chi-restraints excluded: chain Dz residue 66 ASP Chi-restraints excluded: chain A0 residue 7 GLU Chi-restraints excluded: chain A0 residue 8 LYS Chi-restraints excluded: chain A0 residue 10 LEU Chi-restraints excluded: chain A0 residue 28 TRP Chi-restraints excluded: chain B0 residue 70 ARG Chi-restraints excluded: chain C0 residue 83 ARG Chi-restraints excluded: chain C0 residue 88 VAL Chi-restraints excluded: chain D0 residue 27 MET Chi-restraints excluded: chain D0 residue 48 VAL Chi-restraints excluded: chain D0 residue 69 GLU Chi-restraints excluded: chain A1 residue 7 GLU Chi-restraints excluded: chain A1 residue 28 TRP Chi-restraints excluded: chain B1 residue 75 LEU Chi-restraints excluded: chain C1 residue 11 MET Chi-restraints excluded: chain C1 residue 13 GLU Chi-restraints excluded: chain C1 residue 75 LEU Chi-restraints excluded: chain D1 residue 13 GLU Chi-restraints excluded: chain D1 residue 22 GLU Chi-restraints excluded: chain D1 residue 38 ARG Chi-restraints excluded: chain D1 residue 48 VAL Chi-restraints excluded: chain A2 residue 7 GLU Chi-restraints excluded: chain A2 residue 28 TRP Chi-restraints excluded: chain A2 residue 35 ARG Chi-restraints excluded: chain B2 residue 75 LEU Chi-restraints excluded: chain C2 residue 84 VAL Chi-restraints excluded: chain D2 residue 22 GLU Chi-restraints excluded: chain D2 residue 38 ARG Chi-restraints excluded: chain D2 residue 48 VAL Chi-restraints excluded: chain D2 residue 66 ASP Chi-restraints excluded: chain A3 residue 4 MET Chi-restraints excluded: chain A3 residue 7 GLU Chi-restraints excluded: chain A3 residue 22 LYS Chi-restraints excluded: chain A3 residue 28 TRP Chi-restraints excluded: chain B3 residue 75 LEU Chi-restraints excluded: chain C3 residue 70 ARG Chi-restraints excluded: chain D3 residue 48 VAL Chi-restraints excluded: chain D3 residue 66 ASP Chi-restraints excluded: chain D3 residue 86 SER Chi-restraints excluded: chain A4 residue 30 LYS Chi-restraints excluded: chain A4 residue 39 VAL Chi-restraints excluded: chain B4 residue 83 ARG Chi-restraints excluded: chain C4 residue 84 VAL Chi-restraints excluded: chain C4 residue 88 VAL Chi-restraints excluded: chain D4 residue 22 GLU Chi-restraints excluded: chain D4 residue 48 VAL Chi-restraints excluded: chain D4 residue 66 ASP Chi-restraints excluded: chain A5 residue 7 GLU Chi-restraints excluded: chain A5 residue 8 LYS Chi-restraints excluded: chain A5 residue 10 LEU Chi-restraints excluded: chain A5 residue 28 TRP Chi-restraints excluded: chain A5 residue 65 LYS Chi-restraints excluded: chain B5 residue 70 ARG Chi-restraints excluded: chain C5 residue 83 ARG Chi-restraints excluded: chain C5 residue 88 VAL Chi-restraints excluded: chain D5 residue 27 MET Chi-restraints excluded: chain D5 residue 48 VAL Chi-restraints excluded: chain D5 residue 69 GLU Chi-restraints excluded: chain A6 residue 7 GLU Chi-restraints excluded: chain A6 residue 28 TRP Chi-restraints excluded: chain B6 residue 75 LEU Chi-restraints excluded: chain C6 residue 11 MET Chi-restraints excluded: chain C6 residue 13 GLU Chi-restraints excluded: chain C6 residue 75 LEU Chi-restraints excluded: chain D6 residue 13 GLU Chi-restraints excluded: chain D6 residue 22 GLU Chi-restraints excluded: chain D6 residue 48 VAL Chi-restraints excluded: chain A7 residue 7 GLU Chi-restraints excluded: chain A7 residue 28 TRP Chi-restraints excluded: chain A7 residue 30 LYS Chi-restraints excluded: chain A7 residue 35 ARG Chi-restraints excluded: chain B7 residue 75 LEU Chi-restraints excluded: chain B7 residue 83 ARG Chi-restraints excluded: chain C7 residue 84 VAL Chi-restraints excluded: chain D7 residue 22 GLU Chi-restraints excluded: chain D7 residue 48 VAL Chi-restraints excluded: chain D7 residue 66 ASP Chi-restraints excluded: chain D7 residue 83 ARG Chi-restraints excluded: chain A8 residue 4 MET Chi-restraints excluded: chain A8 residue 7 GLU Chi-restraints excluded: chain A8 residue 22 LYS Chi-restraints excluded: chain A8 residue 28 TRP Chi-restraints excluded: chain B8 residue 28 THR Chi-restraints excluded: chain B8 residue 75 LEU Chi-restraints excluded: chain C8 residue 70 ARG Chi-restraints excluded: chain D8 residue 38 ARG Chi-restraints excluded: chain D8 residue 48 VAL Chi-restraints excluded: chain D8 residue 66 ASP Chi-restraints excluded: chain D8 residue 86 SER Chi-restraints excluded: chain A9 residue 30 LYS Chi-restraints excluded: chain A9 residue 39 VAL Chi-restraints excluded: chain D9 residue 13 GLU Chi-restraints excluded: chain D9 residue 22 GLU Chi-restraints excluded: chain D9 residue 48 VAL Chi-restraints excluded: chain D9 residue 66 ASP Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1144 optimal weight: 8.9990 chunk 739 optimal weight: 8.9990 chunk 1105 optimal weight: 1.9990 chunk 557 optimal weight: 8.9990 chunk 363 optimal weight: 20.0000 chunk 358 optimal weight: 0.7980 chunk 1176 optimal weight: 5.9990 chunk 1260 optimal weight: 20.0000 chunk 914 optimal weight: 8.9990 chunk 172 optimal weight: 8.9990 chunk 1454 optimal weight: 6.9990 overall best weight: 4.9588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: DH 39 GLN DM 39 GLN CN 58 ASN CY 58 ASN Cb 58 ASN Cg 58 ASN Ci 58 ASN Dr 39 GLN Cs 58 ASN Dx 39 GLN C3 58 ASN C8 58 ASN Total number of N/Q/H flips: 12 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8386 moved from start: 0.1661 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.031 151920 Z= 0.238 Angle : 0.611 9.882 205800 Z= 0.320 Chirality : 0.044 0.134 24900 Planarity : 0.004 0.032 26760 Dihedral : 4.798 21.533 22260 Min Nonbonded Distance : 2.135 Molprobity Statistics. All-atom Clashscore : 5.64 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.03 % Favored : 97.97 % Rotamer: Outliers : 4.69 % Allowed : 23.41 % Favored : 71.90 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.70 (0.06), residues: 20340 helix: 1.34 (0.07), residues: 6060 sheet: 0.84 (0.07), residues: 6180 loop : -0.44 (0.07), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.047 0.003 TRPAG 28 HIS 0.004 0.001 HISBC 79 PHE 0.007 0.001 PHEDO 40 TYR 0.007 0.001 TYRCG 45 ARG 0.005 0.000 ARGBH 70 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4233 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 698 poor density : 3535 time to evaluate : 10.752 Fit side-chains REVERT: AA 7 GLU cc_start: 0.7838 (OUTLIER) cc_final: 0.7026 (mt-10) REVERT: AA 8 LYS cc_start: 0.8478 (OUTLIER) cc_final: 0.8242 (pttm) REVERT: AA 28 TRP cc_start: 0.8639 (OUTLIER) cc_final: 0.7373 (p90) REVERT: BA 13 GLU cc_start: 0.8346 (tt0) cc_final: 0.8084 (tp30) REVERT: BA 70 ARG cc_start: 0.7091 (OUTLIER) cc_final: 0.6695 (mtp180) REVERT: CA 34 ARG cc_start: 0.7800 (ttm110) cc_final: 0.7507 (ttp-170) REVERT: AB 7 GLU cc_start: 0.7835 (OUTLIER) cc_final: 0.7060 (mt-10) REVERT: BB 75 LEU cc_start: 0.8827 (OUTLIER) cc_final: 0.8548 (tp) REVERT: CB 75 LEU cc_start: 0.8916 (OUTLIER) cc_final: 0.8587 (tp) REVERT: DB 22 GLU cc_start: 0.7564 (OUTLIER) cc_final: 0.6881 (tm-30) REVERT: AC 7 GLU cc_start: 0.7895 (OUTLIER) cc_final: 0.7147 (mt-10) REVERT: AC 30 LYS cc_start: 0.8271 (OUTLIER) cc_final: 0.7948 (pmmt) REVERT: BC 83 ARG cc_start: 0.7976 (OUTLIER) cc_final: 0.7720 (ptt90) REVERT: CC 34 ARG cc_start: 0.7862 (ttp-110) cc_final: 0.7527 (ttp-170) REVERT: AD 7 GLU cc_start: 0.7963 (OUTLIER) cc_final: 0.7258 (mt-10) REVERT: AD 22 LYS cc_start: 0.8796 (OUTLIER) cc_final: 0.7521 (mppt) REVERT: DD 38 ARG cc_start: 0.8777 (OUTLIER) cc_final: 0.7353 (tmm-80) REVERT: AE 7 GLU cc_start: 0.7790 (OUTLIER) cc_final: 0.7508 (mm-30) REVERT: AE 22 LYS cc_start: 0.8909 (mptt) cc_final: 0.8530 (mmtt) REVERT: DE 22 GLU cc_start: 0.7511 (OUTLIER) cc_final: 0.7008 (tp30) REVERT: DE 66 ASP cc_start: 0.7155 (OUTLIER) cc_final: 0.6900 (t70) REVERT: AF 7 GLU cc_start: 0.7924 (OUTLIER) cc_final: 0.7138 (mm-30) REVERT: AF 8 LYS cc_start: 0.8496 (OUTLIER) cc_final: 0.8270 (pttm) REVERT: AF 28 TRP cc_start: 0.8641 (OUTLIER) cc_final: 0.7366 (p90) REVERT: BF 13 GLU cc_start: 0.8309 (tt0) cc_final: 0.8032 (tp30) REVERT: BF 70 ARG cc_start: 0.7101 (OUTLIER) cc_final: 0.6694 (mtp-110) REVERT: BF 83 ARG cc_start: 0.8035 (ptt90) cc_final: 0.7684 (ptt180) REVERT: CF 34 ARG cc_start: 0.7795 (ttm110) cc_final: 0.7504 (ttp-170) REVERT: AG 7 GLU cc_start: 0.7839 (OUTLIER) cc_final: 0.6867 (mt-10) REVERT: BG 75 LEU cc_start: 0.8805 (OUTLIER) cc_final: 0.8596 (tp) REVERT: CG 75 LEU cc_start: 0.8915 (OUTLIER) cc_final: 0.8587 (tp) REVERT: DG 22 GLU cc_start: 0.7557 (OUTLIER) cc_final: 0.6876 (tm-30) REVERT: AH 7 GLU cc_start: 0.7902 (OUTLIER) cc_final: 0.7116 (mt-10) REVERT: AH 30 LYS cc_start: 0.8260 (OUTLIER) cc_final: 0.7937 (pmmt) REVERT: BH 83 ARG cc_start: 0.7959 (OUTLIER) cc_final: 0.7746 (ptt90) REVERT: CH 34 ARG cc_start: 0.7861 (ttp-110) cc_final: 0.7520 (ttp-170) REVERT: DH 22 GLU cc_start: 0.7460 (OUTLIER) cc_final: 0.6729 (tm-30) REVERT: AI 7 GLU cc_start: 0.7941 (OUTLIER) cc_final: 0.7208 (mt-10) REVERT: AI 22 LYS cc_start: 0.8786 (OUTLIER) cc_final: 0.7510 (mppt) REVERT: DI 38 ARG cc_start: 0.8767 (OUTLIER) cc_final: 0.7343 (tmm-80) REVERT: AJ 7 GLU cc_start: 0.7796 (OUTLIER) cc_final: 0.7519 (mm-30) REVERT: AJ 22 LYS cc_start: 0.8896 (mptt) cc_final: 0.8523 (mmtt) REVERT: CJ 75 LEU cc_start: 0.8870 (OUTLIER) cc_final: 0.8649 (tp) REVERT: DJ 22 GLU cc_start: 0.7508 (OUTLIER) cc_final: 0.7002 (tp30) REVERT: DJ 66 ASP cc_start: 0.7198 (OUTLIER) cc_final: 0.6866 (t70) REVERT: AK 7 GLU cc_start: 0.7852 (OUTLIER) cc_final: 0.7078 (mm-30) REVERT: AK 8 LYS cc_start: 0.8479 (OUTLIER) cc_final: 0.8236 (pttm) REVERT: AK 28 TRP cc_start: 0.8651 (OUTLIER) cc_final: 0.7344 (p90) REVERT: BK 13 GLU cc_start: 0.8305 (tt0) cc_final: 0.8028 (tp30) REVERT: BK 70 ARG cc_start: 0.7109 (OUTLIER) cc_final: 0.6700 (mtp-110) REVERT: BK 83 ARG cc_start: 0.8023 (ptt90) cc_final: 0.7677 (ptt180) REVERT: CK 34 ARG cc_start: 0.7781 (ttm110) cc_final: 0.7491 (ttp-170) REVERT: BL 75 LEU cc_start: 0.8814 (OUTLIER) cc_final: 0.8578 (tp) REVERT: CL 75 LEU cc_start: 0.8923 (OUTLIER) cc_final: 0.8606 (tp) REVERT: DL 22 GLU cc_start: 0.7560 (OUTLIER) cc_final: 0.6880 (tm-30) REVERT: AM 7 GLU cc_start: 0.7975 (OUTLIER) cc_final: 0.7234 (mt-10) REVERT: AM 30 LYS cc_start: 0.8312 (OUTLIER) cc_final: 0.8047 (pmmt) REVERT: BM 83 ARG cc_start: 0.7984 (OUTLIER) cc_final: 0.7723 (ptt90) REVERT: CM 34 ARG cc_start: 0.7865 (ttp-110) cc_final: 0.7527 (ttp-170) REVERT: AN 4 MET cc_start: 0.8139 (OUTLIER) cc_final: 0.7502 (mmm) REVERT: AN 7 GLU cc_start: 0.7968 (OUTLIER) cc_final: 0.7227 (mt-10) REVERT: AN 22 LYS cc_start: 0.8784 (OUTLIER) cc_final: 0.7518 (mppt) REVERT: CN 70 ARG cc_start: 0.6089 (OUTLIER) cc_final: 0.5878 (mtt90) REVERT: DN 38 ARG cc_start: 0.8775 (OUTLIER) cc_final: 0.7340 (tmm-80) REVERT: AO 7 GLU cc_start: 0.7792 (OUTLIER) cc_final: 0.7514 (mm-30) REVERT: AO 22 LYS cc_start: 0.8897 (mptt) cc_final: 0.8524 (mmtt) REVERT: DO 22 GLU cc_start: 0.7515 (OUTLIER) cc_final: 0.6999 (tp30) REVERT: DO 66 ASP cc_start: 0.7218 (OUTLIER) cc_final: 0.6991 (t70) REVERT: AP 7 GLU cc_start: 0.7889 (OUTLIER) cc_final: 0.7082 (mt-10) REVERT: AP 8 LYS cc_start: 0.8549 (OUTLIER) cc_final: 0.8270 (pttm) REVERT: AP 28 TRP cc_start: 0.8630 (OUTLIER) cc_final: 0.7341 (p90) REVERT: BP 13 GLU cc_start: 0.8342 (tt0) cc_final: 0.8095 (tp30) REVERT: BP 70 ARG cc_start: 0.7097 (OUTLIER) cc_final: 0.6698 (mtp180) REVERT: CP 34 ARG cc_start: 0.7784 (ttm110) cc_final: 0.7492 (ttp-170) REVERT: AQ 30 LYS cc_start: 0.8188 (OUTLIER) cc_final: 0.7885 (pmmt) REVERT: BQ 75 LEU cc_start: 0.8800 (OUTLIER) cc_final: 0.8578 (tp) REVERT: CQ 75 LEU cc_start: 0.8914 (OUTLIER) cc_final: 0.8609 (tp) REVERT: DQ 13 GLU cc_start: 0.8599 (OUTLIER) cc_final: 0.8208 (tp30) REVERT: DQ 22 GLU cc_start: 0.7556 (OUTLIER) cc_final: 0.6918 (tm-30) REVERT: AR 7 GLU cc_start: 0.7934 (OUTLIER) cc_final: 0.7168 (mt-10) REVERT: BR 83 ARG cc_start: 0.7952 (OUTLIER) cc_final: 0.7744 (ptt90) REVERT: CR 34 ARG cc_start: 0.7847 (ttp-110) cc_final: 0.7514 (ttp-170) REVERT: DR 22 GLU cc_start: 0.7461 (OUTLIER) cc_final: 0.6726 (tm-30) REVERT: AS 7 GLU cc_start: 0.7973 (OUTLIER) cc_final: 0.7265 (mt-10) REVERT: AS 22 LYS cc_start: 0.8804 (OUTLIER) cc_final: 0.7524 (mppt) REVERT: DS 38 ARG cc_start: 0.8773 (OUTLIER) cc_final: 0.7333 (tmm-80) REVERT: AT 7 GLU cc_start: 0.7795 (OUTLIER) cc_final: 0.7518 (mm-30) REVERT: AT 22 LYS cc_start: 0.8903 (mptt) cc_final: 0.8528 (mmtt) REVERT: DT 22 GLU cc_start: 0.7515 (OUTLIER) cc_final: 0.7003 (tp30) REVERT: DT 66 ASP cc_start: 0.7162 (OUTLIER) cc_final: 0.6914 (t70) REVERT: AV 7 GLU cc_start: 0.7909 (OUTLIER) cc_final: 0.7088 (mm-30) REVERT: AV 28 TRP cc_start: 0.8641 (OUTLIER) cc_final: 0.7367 (p90) REVERT: BV 13 GLU cc_start: 0.8313 (tt0) cc_final: 0.8076 (tp30) REVERT: BV 70 ARG cc_start: 0.7105 (OUTLIER) cc_final: 0.6709 (mtp180) REVERT: CV 34 ARG cc_start: 0.7818 (ttm110) cc_final: 0.7504 (ttp-170) REVERT: BW 75 LEU cc_start: 0.8835 (OUTLIER) cc_final: 0.8568 (tp) REVERT: CW 75 LEU cc_start: 0.8940 (OUTLIER) cc_final: 0.8620 (tp) REVERT: DW 13 GLU cc_start: 0.8609 (OUTLIER) cc_final: 0.8204 (tp30) REVERT: DW 22 GLU cc_start: 0.7540 (OUTLIER) cc_final: 0.6882 (tm-30) REVERT: AX 7 GLU cc_start: 0.7894 (OUTLIER) cc_final: 0.7157 (mt-10) REVERT: AX 30 LYS cc_start: 0.8270 (OUTLIER) cc_final: 0.7954 (pmmt) REVERT: BX 83 ARG cc_start: 0.8026 (OUTLIER) cc_final: 0.7771 (ptt90) REVERT: CX 34 ARG cc_start: 0.7894 (ttp-110) cc_final: 0.7546 (ttp-170) REVERT: AY 7 GLU cc_start: 0.8002 (OUTLIER) cc_final: 0.7288 (mt-10) REVERT: AY 22 LYS cc_start: 0.8754 (OUTLIER) cc_final: 0.7514 (mppt) REVERT: CY 70 ARG cc_start: 0.6114 (OUTLIER) cc_final: 0.5897 (mtt90) REVERT: DY 38 ARG cc_start: 0.8769 (OUTLIER) cc_final: 0.7338 (tmm-80) REVERT: AZ 7 GLU cc_start: 0.7774 (OUTLIER) cc_final: 0.7505 (mm-30) REVERT: AZ 22 LYS cc_start: 0.8891 (mptt) cc_final: 0.8515 (mmtt) REVERT: BZ 51 ARG cc_start: 0.8473 (mtp180) cc_final: 0.8259 (mtp180) REVERT: DZ 22 GLU cc_start: 0.7524 (OUTLIER) cc_final: 0.7030 (tp30) REVERT: DZ 66 ASP cc_start: 0.7158 (OUTLIER) cc_final: 0.6889 (t70) REVERT: Aa 7 GLU cc_start: 0.7818 (OUTLIER) cc_final: 0.6994 (mt-10) REVERT: Aa 8 LYS cc_start: 0.8467 (OUTLIER) cc_final: 0.8231 (pttm) REVERT: Aa 28 TRP cc_start: 0.8628 (OUTLIER) cc_final: 0.7373 (p90) REVERT: Ba 13 GLU cc_start: 0.8324 (tt0) cc_final: 0.8041 (tp30) REVERT: Ba 70 ARG cc_start: 0.7107 (OUTLIER) cc_final: 0.6719 (mtp180) REVERT: Ca 34 ARG cc_start: 0.7817 (ttm110) cc_final: 0.7513 (ttp-170) REVERT: Ab 1 MET cc_start: 0.8710 (mpp) cc_final: 0.8484 (mpt) REVERT: Ab 7 GLU cc_start: 0.7756 (OUTLIER) cc_final: 0.6978 (mt-10) REVERT: Ab 22 LYS cc_start: 0.8579 (mttp) cc_final: 0.8304 (mttt) REVERT: Ab 30 LYS cc_start: 0.8124 (OUTLIER) cc_final: 0.7798 (pmmt) REVERT: Bb 75 LEU cc_start: 0.8826 (OUTLIER) cc_final: 0.8604 (tp) REVERT: Cb 75 LEU cc_start: 0.8946 (OUTLIER) cc_final: 0.8640 (tp) REVERT: Db 13 GLU cc_start: 0.8612 (OUTLIER) cc_final: 0.8215 (tp30) REVERT: Db 22 GLU cc_start: 0.7525 (OUTLIER) cc_final: 0.6851 (tm-30) REVERT: Ac 7 GLU cc_start: 0.7939 (OUTLIER) cc_final: 0.7218 (mt-10) REVERT: Ac 30 LYS cc_start: 0.8282 (OUTLIER) cc_final: 0.7942 (pmmt) REVERT: Bc 83 ARG cc_start: 0.8017 (OUTLIER) cc_final: 0.7800 (ptt90) REVERT: Cc 34 ARG cc_start: 0.7853 (ttp-110) cc_final: 0.7501 (ttp-170) REVERT: Dc 22 GLU cc_start: 0.7452 (OUTLIER) cc_final: 0.6698 (tm-30) REVERT: Ad 7 GLU cc_start: 0.7994 (OUTLIER) cc_final: 0.7266 (mt-10) REVERT: Ad 22 LYS cc_start: 0.8765 (OUTLIER) cc_final: 0.7514 (mppt) REVERT: Dd 38 ARG cc_start: 0.8777 (OUTLIER) cc_final: 0.7338 (tmm-80) REVERT: Ae 22 LYS cc_start: 0.8894 (mptt) cc_final: 0.8509 (mmtt) REVERT: Ce 75 LEU cc_start: 0.8886 (OUTLIER) cc_final: 0.8669 (tp) REVERT: De 22 GLU cc_start: 0.7515 (OUTLIER) cc_final: 0.7012 (tp30) REVERT: De 66 ASP cc_start: 0.7175 (OUTLIER) cc_final: 0.6918 (t70) REVERT: Af 7 GLU cc_start: 0.7757 (OUTLIER) cc_final: 0.6919 (mt-10) REVERT: Af 28 TRP cc_start: 0.8641 (OUTLIER) cc_final: 0.7421 (p90) REVERT: Bf 13 GLU cc_start: 0.8292 (tt0) cc_final: 0.8013 (tp30) REVERT: Bf 70 ARG cc_start: 0.7116 (OUTLIER) cc_final: 0.6709 (mtp180) REVERT: Cf 34 ARG cc_start: 0.7797 (ttm110) cc_final: 0.7493 (ttp-170) REVERT: Df 34 ARG cc_start: 0.7976 (OUTLIER) cc_final: 0.7328 (ptt-90) REVERT: Bg 75 LEU cc_start: 0.8841 (OUTLIER) cc_final: 0.8565 (tp) REVERT: Cg 75 LEU cc_start: 0.8939 (OUTLIER) cc_final: 0.8620 (tp) REVERT: Dg 13 GLU cc_start: 0.8605 (OUTLIER) cc_final: 0.8197 (tp30) REVERT: Dg 22 GLU cc_start: 0.7533 (OUTLIER) cc_final: 0.6887 (tm-30) REVERT: Ah 7 GLU cc_start: 0.7894 (OUTLIER) cc_final: 0.7150 (mt-10) REVERT: Ah 30 LYS cc_start: 0.8279 (OUTLIER) cc_final: 0.7956 (pmmt) REVERT: Bh 83 ARG cc_start: 0.8020 (OUTLIER) cc_final: 0.7761 (ptt90) REVERT: Ch 34 ARG cc_start: 0.7870 (ttp-110) cc_final: 0.7522 (ttp-170) REVERT: Ai 7 GLU cc_start: 0.7995 (OUTLIER) cc_final: 0.7281 (mt-10) REVERT: Ai 22 LYS cc_start: 0.8769 (OUTLIER) cc_final: 0.7534 (mppt) REVERT: Ci 70 ARG cc_start: 0.6103 (OUTLIER) cc_final: 0.5883 (mtt90) REVERT: Di 38 ARG cc_start: 0.8775 (OUTLIER) cc_final: 0.7343 (tmm-80) REVERT: Aj 7 GLU cc_start: 0.7783 (OUTLIER) cc_final: 0.7500 (mm-30) REVERT: Aj 22 LYS cc_start: 0.8888 (mptt) cc_final: 0.8507 (mmtt) REVERT: Dj 22 GLU cc_start: 0.7501 (OUTLIER) cc_final: 0.7002 (tp30) REVERT: Dj 66 ASP cc_start: 0.7206 (OUTLIER) cc_final: 0.6871 (t70) REVERT: Ak 7 GLU cc_start: 0.7802 (OUTLIER) cc_final: 0.6985 (mt-10) REVERT: Ak 28 TRP cc_start: 0.8631 (OUTLIER) cc_final: 0.7418 (p90) REVERT: Bk 13 GLU cc_start: 0.8326 (tt0) cc_final: 0.8074 (tp30) REVERT: Bk 70 ARG cc_start: 0.7095 (OUTLIER) cc_final: 0.6697 (mtp180) REVERT: Ck 34 ARG cc_start: 0.7812 (ttm110) cc_final: 0.7504 (ttp-170) REVERT: Dk 34 ARG cc_start: 0.7980 (OUTLIER) cc_final: 0.7330 (ptt-90) REVERT: Al 7 GLU cc_start: 0.7774 (OUTLIER) cc_final: 0.6883 (mt-10) REVERT: Al 30 LYS cc_start: 0.8224 (OUTLIER) cc_final: 0.7826 (pmmt) REVERT: Bl 75 LEU cc_start: 0.8829 (OUTLIER) cc_final: 0.8591 (tp) REVERT: Dl 13 GLU cc_start: 0.8604 (OUTLIER) cc_final: 0.8198 (tp30) REVERT: Dl 22 GLU cc_start: 0.7522 (OUTLIER) cc_final: 0.6868 (tm-30) REVERT: Am 7 GLU cc_start: 0.7895 (OUTLIER) cc_final: 0.7165 (mt-10) REVERT: Bm 13 GLU cc_start: 0.8202 (tt0) cc_final: 0.7993 (tp30) REVERT: Bm 83 ARG cc_start: 0.8020 (OUTLIER) cc_final: 0.7802 (ptt90) REVERT: Cm 34 ARG cc_start: 0.7852 (ttp-110) cc_final: 0.7495 (ttp-170) REVERT: Dm 22 GLU cc_start: 0.7453 (OUTLIER) cc_final: 0.6698 (tm-30) REVERT: An 7 GLU cc_start: 0.8002 (OUTLIER) cc_final: 0.7257 (mt-10) REVERT: An 22 LYS cc_start: 0.8755 (OUTLIER) cc_final: 0.7506 (mppt) REVERT: An 30 LYS cc_start: 0.8148 (OUTLIER) cc_final: 0.7615 (pmmt) REVERT: Dn 38 ARG cc_start: 0.8772 (OUTLIER) cc_final: 0.7338 (tmm-80) REVERT: Ao 22 LYS cc_start: 0.8891 (mptt) cc_final: 0.8503 (mmtt) REVERT: Co 75 LEU cc_start: 0.8879 (OUTLIER) cc_final: 0.8661 (tp) REVERT: Do 22 GLU cc_start: 0.7513 (OUTLIER) cc_final: 0.7014 (tp30) REVERT: Do 66 ASP cc_start: 0.7222 (OUTLIER) cc_final: 0.6880 (t70) REVERT: Ap 7 GLU cc_start: 0.7858 (OUTLIER) cc_final: 0.7078 (mm-30) REVERT: Ap 28 TRP cc_start: 0.8646 (OUTLIER) cc_final: 0.7329 (p90) REVERT: Bp 13 GLU cc_start: 0.8331 (tt0) cc_final: 0.8047 (tp30) REVERT: Bp 70 ARG cc_start: 0.7095 (OUTLIER) cc_final: 0.6713 (mtp180) REVERT: Cp 34 ARG cc_start: 0.7805 (ttm110) cc_final: 0.7505 (ttp-170) REVERT: Aq 7 GLU cc_start: 0.7870 (OUTLIER) cc_final: 0.7102 (mt-10) REVERT: Aq 22 LYS cc_start: 0.8612 (mttt) cc_final: 0.8225 (mttt) REVERT: Bq 75 LEU cc_start: 0.8820 (OUTLIER) cc_final: 0.8529 (tp) REVERT: Cq 75 LEU cc_start: 0.8932 (OUTLIER) cc_final: 0.8600 (tp) REVERT: Dq 22 GLU cc_start: 0.7555 (OUTLIER) cc_final: 0.6880 (tm-30) REVERT: Ar 7 GLU cc_start: 0.7887 (OUTLIER) cc_final: 0.7130 (mt-10) REVERT: Ar 30 LYS cc_start: 0.8265 (OUTLIER) cc_final: 0.7948 (pmmt) REVERT: Br 83 ARG cc_start: 0.8013 (OUTLIER) cc_final: 0.7754 (ptt90) REVERT: Cr 34 ARG cc_start: 0.7872 (ttp-110) cc_final: 0.7534 (ttp-170) REVERT: As 7 GLU cc_start: 0.8013 (OUTLIER) cc_final: 0.7231 (mt-10) REVERT: As 22 LYS cc_start: 0.8779 (OUTLIER) cc_final: 0.7501 (mppt) REVERT: Cs 70 ARG cc_start: 0.6096 (OUTLIER) cc_final: 0.5876 (mtt90) REVERT: Ds 38 ARG cc_start: 0.8784 (OUTLIER) cc_final: 0.7352 (tmm-80) REVERT: At 22 LYS cc_start: 0.8898 (mptt) cc_final: 0.8516 (mmtt) REVERT: Dt 22 GLU cc_start: 0.7518 (OUTLIER) cc_final: 0.6984 (tp30) REVERT: Dt 66 ASP cc_start: 0.7165 (OUTLIER) cc_final: 0.6911 (t70) REVERT: Av 7 GLU cc_start: 0.7803 (OUTLIER) cc_final: 0.6919 (mt-10) REVERT: Av 28 TRP cc_start: 0.8643 (OUTLIER) cc_final: 0.7422 (p90) REVERT: Bv 13 GLU cc_start: 0.8332 (tt0) cc_final: 0.8085 (tp30) REVERT: Bv 70 ARG cc_start: 0.7093 (OUTLIER) cc_final: 0.6706 (mtp180) REVERT: Cv 34 ARG cc_start: 0.7811 (ttm110) cc_final: 0.7505 (ttp-170) REVERT: Dv 34 ARG cc_start: 0.7985 (OUTLIER) cc_final: 0.7344 (ptt-90) REVERT: Bw 75 LEU cc_start: 0.8809 (OUTLIER) cc_final: 0.8554 (tp) REVERT: Cw 75 LEU cc_start: 0.8935 (OUTLIER) cc_final: 0.8626 (tp) REVERT: Dw 13 GLU cc_start: 0.8608 (OUTLIER) cc_final: 0.8209 (tp30) REVERT: Dw 22 GLU cc_start: 0.7541 (OUTLIER) cc_final: 0.6893 (tm-30) REVERT: Ax 7 GLU cc_start: 0.7887 (OUTLIER) cc_final: 0.7137 (mt-10) REVERT: Ax 30 LYS cc_start: 0.8260 (OUTLIER) cc_final: 0.7937 (pmmt) REVERT: Bx 83 ARG cc_start: 0.7993 (OUTLIER) cc_final: 0.7735 (ptt90) REVERT: Cx 34 ARG cc_start: 0.7828 (ttp-110) cc_final: 0.7487 (ttp-170) REVERT: Dx 22 GLU cc_start: 0.7475 (OUTLIER) cc_final: 0.6737 (tm-30) REVERT: Ay 4 MET cc_start: 0.8165 (OUTLIER) cc_final: 0.7555 (mmm) REVERT: Ay 7 GLU cc_start: 0.7990 (OUTLIER) cc_final: 0.7196 (mt-10) REVERT: Ay 22 LYS cc_start: 0.8768 (OUTLIER) cc_final: 0.7507 (mppt) REVERT: Ay 60 GLU cc_start: 0.7630 (tp30) cc_final: 0.7400 (tp30) REVERT: Dy 38 ARG cc_start: 0.8773 (OUTLIER) cc_final: 0.7328 (tmm-80) REVERT: Az 7 GLU cc_start: 0.7837 (OUTLIER) cc_final: 0.7158 (mm-30) REVERT: Az 22 LYS cc_start: 0.8884 (mptt) cc_final: 0.8496 (mmtt) REVERT: Dz 22 GLU cc_start: 0.7512 (OUTLIER) cc_final: 0.6997 (tp30) REVERT: Dz 66 ASP cc_start: 0.7164 (OUTLIER) cc_final: 0.6905 (t70) REVERT: A0 7 GLU cc_start: 0.7823 (OUTLIER) cc_final: 0.6980 (mt-10) REVERT: A0 8 LYS cc_start: 0.8530 (OUTLIER) cc_final: 0.8264 (pttm) REVERT: A0 28 TRP cc_start: 0.8626 (OUTLIER) cc_final: 0.7384 (p90) REVERT: B0 13 GLU cc_start: 0.8300 (tt0) cc_final: 0.8018 (tp30) REVERT: B0 70 ARG cc_start: 0.7116 (OUTLIER) cc_final: 0.6721 (mtp-110) REVERT: C0 34 ARG cc_start: 0.7804 (ttm110) cc_final: 0.7503 (ttp-170) REVERT: B1 75 LEU cc_start: 0.8809 (OUTLIER) cc_final: 0.8550 (tp) REVERT: C1 75 LEU cc_start: 0.8928 (OUTLIER) cc_final: 0.8621 (tp) REVERT: D1 22 GLU cc_start: 0.7540 (OUTLIER) cc_final: 0.6852 (tm-30) REVERT: A2 7 GLU cc_start: 0.7916 (OUTLIER) cc_final: 0.7157 (mt-10) REVERT: B2 13 GLU cc_start: 0.8184 (tt0) cc_final: 0.7979 (tp30) REVERT: C2 34 ARG cc_start: 0.7867 (ttp-110) cc_final: 0.7527 (ttp-170) REVERT: D2 22 GLU cc_start: 0.7479 (OUTLIER) cc_final: 0.6744 (tm-30) REVERT: A3 7 GLU cc_start: 0.7969 (OUTLIER) cc_final: 0.7192 (mt-10) REVERT: A3 22 LYS cc_start: 0.8778 (OUTLIER) cc_final: 0.7515 (mppt) REVERT: A3 60 GLU cc_start: 0.7616 (tp30) cc_final: 0.7385 (tp30) REVERT: C3 70 ARG cc_start: 0.6096 (OUTLIER) cc_final: 0.5869 (mtt90) REVERT: A4 22 LYS cc_start: 0.8902 (mptt) cc_final: 0.8520 (mmtt) REVERT: D4 22 GLU cc_start: 0.7493 (OUTLIER) cc_final: 0.6983 (tp30) REVERT: D4 66 ASP cc_start: 0.7220 (OUTLIER) cc_final: 0.6874 (t70) REVERT: A5 7 GLU cc_start: 0.7847 (OUTLIER) cc_final: 0.6998 (mt-10) REVERT: A5 8 LYS cc_start: 0.8481 (OUTLIER) cc_final: 0.8254 (pttm) REVERT: A5 28 TRP cc_start: 0.8648 (OUTLIER) cc_final: 0.7408 (p90) REVERT: B5 13 GLU cc_start: 0.8331 (tt0) cc_final: 0.8071 (tp30) REVERT: B5 70 ARG cc_start: 0.7095 (OUTLIER) cc_final: 0.6707 (mtp180) REVERT: B5 83 ARG cc_start: 0.8029 (ptt90) cc_final: 0.7705 (ptt180) REVERT: C5 34 ARG cc_start: 0.7811 (ttm110) cc_final: 0.7507 (ttp-170) REVERT: B6 75 LEU cc_start: 0.8798 (OUTLIER) cc_final: 0.8536 (tp) REVERT: C6 75 LEU cc_start: 0.8936 (OUTLIER) cc_final: 0.8615 (tp) REVERT: D6 22 GLU cc_start: 0.7536 (OUTLIER) cc_final: 0.6853 (tm-30) REVERT: A7 7 GLU cc_start: 0.7891 (OUTLIER) cc_final: 0.7138 (mt-10) REVERT: A7 30 LYS cc_start: 0.8280 (OUTLIER) cc_final: 0.7967 (pmmt) REVERT: B7 83 ARG cc_start: 0.7993 (OUTLIER) cc_final: 0.7771 (ptt90) REVERT: C7 34 ARG cc_start: 0.7850 (ttp-110) cc_final: 0.7514 (ttp-170) REVERT: D7 22 GLU cc_start: 0.7473 (OUTLIER) cc_final: 0.6739 (tm-30) REVERT: A8 7 GLU cc_start: 0.7972 (OUTLIER) cc_final: 0.7291 (mt-10) REVERT: A8 22 LYS cc_start: 0.8769 (OUTLIER) cc_final: 0.7508 (mppt) REVERT: A8 60 GLU cc_start: 0.7645 (tp30) cc_final: 0.7402 (tp30) REVERT: C8 70 ARG cc_start: 0.6086 (OUTLIER) cc_final: 0.5859 (mtt90) REVERT: D8 38 ARG cc_start: 0.8779 (OUTLIER) cc_final: 0.7345 (tmm-80) REVERT: A9 7 GLU cc_start: 0.7809 (OUTLIER) cc_final: 0.7530 (mm-30) REVERT: A9 22 LYS cc_start: 0.8898 (mptt) cc_final: 0.8513 (mmtt) REVERT: D9 22 GLU cc_start: 0.7508 (OUTLIER) cc_final: 0.6998 (tp30) REVERT: D9 66 ASP cc_start: 0.7162 (OUTLIER) cc_final: 0.6902 (t70) outliers start: 698 outliers final: 366 residues processed: 3850 average time/residue: 2.3812 time to fit residues: 12200.5813 Evaluate side-chains 4100 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 579 poor density : 3521 time to evaluate : 10.261 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 7 GLU Chi-restraints excluded: chain AA residue 8 LYS Chi-restraints excluded: chain AA residue 10 LEU Chi-restraints excluded: chain AA residue 28 TRP Chi-restraints excluded: chain BA residue 70 ARG Chi-restraints excluded: chain CA residue 83 ARG Chi-restraints excluded: chain CA residue 88 VAL Chi-restraints excluded: chain DA residue 14 THR Chi-restraints excluded: chain DA residue 27 MET Chi-restraints excluded: chain DA residue 48 VAL Chi-restraints excluded: chain DA residue 69 GLU Chi-restraints excluded: chain AB residue 7 GLU Chi-restraints excluded: chain BB residue 75 LEU Chi-restraints excluded: chain CB residue 13 GLU Chi-restraints excluded: chain CB residue 75 LEU Chi-restraints excluded: chain DB residue 22 GLU Chi-restraints excluded: chain DB residue 38 ARG Chi-restraints excluded: chain DB residue 48 VAL Chi-restraints excluded: chain AC residue 7 GLU Chi-restraints excluded: chain AC residue 28 TRP Chi-restraints excluded: chain AC residue 30 LYS Chi-restraints excluded: chain AC residue 35 ARG Chi-restraints excluded: chain BC residue 75 LEU Chi-restraints excluded: chain BC residue 83 ARG Chi-restraints excluded: chain CC residue 84 VAL Chi-restraints excluded: chain DC residue 48 VAL Chi-restraints excluded: chain DC residue 66 ASP Chi-restraints excluded: chain AD residue 7 GLU Chi-restraints excluded: chain AD residue 22 LYS Chi-restraints excluded: chain AD residue 28 TRP Chi-restraints excluded: chain BD residue 28 THR Chi-restraints excluded: chain BD residue 75 LEU Chi-restraints excluded: chain BD residue 84 VAL Chi-restraints excluded: chain CD residue 83 ARG Chi-restraints excluded: chain DD residue 38 ARG Chi-restraints excluded: chain DD residue 48 VAL Chi-restraints excluded: chain DD residue 66 ASP Chi-restraints excluded: chain DD residue 86 SER Chi-restraints excluded: chain AE residue 7 GLU Chi-restraints excluded: chain AE residue 30 LYS Chi-restraints excluded: chain AE residue 39 VAL Chi-restraints excluded: chain DE residue 13 GLU Chi-restraints excluded: chain DE residue 22 GLU Chi-restraints excluded: chain DE residue 48 VAL Chi-restraints excluded: chain DE residue 66 ASP Chi-restraints excluded: chain AF residue 7 GLU Chi-restraints excluded: chain AF residue 8 LYS Chi-restraints excluded: chain AF residue 10 LEU Chi-restraints excluded: chain AF residue 28 TRP Chi-restraints excluded: chain BF residue 70 ARG Chi-restraints excluded: chain CF residue 83 ARG Chi-restraints excluded: chain CF residue 88 VAL Chi-restraints excluded: chain DF residue 14 THR Chi-restraints excluded: chain DF residue 27 MET Chi-restraints excluded: chain DF residue 48 VAL Chi-restraints excluded: chain DF residue 69 GLU Chi-restraints excluded: chain AG residue 7 GLU Chi-restraints excluded: chain AG residue 28 TRP Chi-restraints excluded: chain BG residue 75 LEU Chi-restraints excluded: chain CG residue 11 MET Chi-restraints excluded: chain CG residue 13 GLU Chi-restraints excluded: chain CG residue 75 LEU Chi-restraints excluded: chain DG residue 22 GLU Chi-restraints excluded: chain DG residue 38 ARG Chi-restraints excluded: chain DG residue 48 VAL Chi-restraints excluded: chain AH residue 7 GLU Chi-restraints excluded: chain AH residue 28 TRP Chi-restraints excluded: chain AH residue 30 LYS Chi-restraints excluded: chain AH residue 35 ARG Chi-restraints excluded: chain BH residue 75 LEU Chi-restraints excluded: chain BH residue 83 ARG Chi-restraints excluded: chain DH residue 22 GLU Chi-restraints excluded: chain DH residue 38 ARG Chi-restraints excluded: chain DH residue 48 VAL Chi-restraints excluded: chain DH residue 66 ASP Chi-restraints excluded: chain AI residue 7 GLU Chi-restraints excluded: chain AI residue 22 LYS Chi-restraints excluded: chain AI residue 28 TRP Chi-restraints excluded: chain BI residue 28 THR Chi-restraints excluded: chain BI residue 75 LEU Chi-restraints excluded: chain BI residue 84 VAL Chi-restraints excluded: chain DI residue 38 ARG Chi-restraints excluded: chain DI residue 48 VAL Chi-restraints excluded: chain DI residue 66 ASP Chi-restraints excluded: chain AJ residue 7 GLU Chi-restraints excluded: chain AJ residue 30 LYS Chi-restraints excluded: chain AJ residue 39 VAL Chi-restraints excluded: chain CJ residue 75 LEU Chi-restraints excluded: chain DJ residue 13 GLU Chi-restraints excluded: chain DJ residue 22 GLU Chi-restraints excluded: chain DJ residue 48 VAL Chi-restraints excluded: chain DJ residue 66 ASP Chi-restraints excluded: chain AK residue 7 GLU Chi-restraints excluded: chain AK residue 8 LYS Chi-restraints excluded: chain AK residue 10 LEU Chi-restraints excluded: chain AK residue 28 TRP Chi-restraints excluded: chain BK residue 70 ARG Chi-restraints excluded: chain CK residue 83 ARG Chi-restraints excluded: chain CK residue 88 VAL Chi-restraints excluded: chain DK residue 14 THR Chi-restraints excluded: chain DK residue 27 MET Chi-restraints excluded: chain DK residue 48 VAL Chi-restraints excluded: chain DK residue 69 GLU Chi-restraints excluded: chain AL residue 7 GLU Chi-restraints excluded: chain AL residue 28 TRP Chi-restraints excluded: chain BL residue 75 LEU Chi-restraints excluded: chain CL residue 11 MET Chi-restraints excluded: chain CL residue 13 GLU Chi-restraints excluded: chain CL residue 75 LEU Chi-restraints excluded: chain DL residue 22 GLU Chi-restraints excluded: chain DL residue 38 ARG Chi-restraints excluded: chain DL residue 48 VAL Chi-restraints excluded: chain AM residue 7 GLU Chi-restraints excluded: chain AM residue 28 TRP Chi-restraints excluded: chain AM residue 30 LYS Chi-restraints excluded: chain BM residue 75 LEU Chi-restraints excluded: chain BM residue 83 ARG Chi-restraints excluded: chain CM residue 83 ARG Chi-restraints excluded: chain DM residue 13 GLU Chi-restraints excluded: chain DM residue 38 ARG Chi-restraints excluded: chain DM residue 48 VAL Chi-restraints excluded: chain DM residue 66 ASP Chi-restraints excluded: chain AN residue 4 MET Chi-restraints excluded: chain AN residue 7 GLU Chi-restraints excluded: chain AN residue 22 LYS Chi-restraints excluded: chain AN residue 28 TRP Chi-restraints excluded: chain BN residue 28 THR Chi-restraints excluded: chain BN residue 75 LEU Chi-restraints excluded: chain BN residue 84 VAL Chi-restraints excluded: chain CN residue 70 ARG Chi-restraints excluded: chain DN residue 38 ARG Chi-restraints excluded: chain DN residue 48 VAL Chi-restraints excluded: chain DN residue 66 ASP Chi-restraints excluded: chain DN residue 86 SER Chi-restraints excluded: chain AO residue 7 GLU Chi-restraints excluded: chain AO residue 30 LYS Chi-restraints excluded: chain AO residue 39 VAL Chi-restraints excluded: chain CO residue 88 VAL Chi-restraints excluded: chain DO residue 22 GLU Chi-restraints excluded: chain DO residue 48 VAL Chi-restraints excluded: chain DO residue 66 ASP Chi-restraints excluded: chain AP residue 7 GLU Chi-restraints excluded: chain AP residue 8 LYS Chi-restraints excluded: chain AP residue 10 LEU Chi-restraints excluded: chain AP residue 28 TRP Chi-restraints excluded: chain BP residue 70 ARG Chi-restraints excluded: chain CP residue 83 ARG Chi-restraints excluded: chain CP residue 88 VAL Chi-restraints excluded: chain DP residue 14 THR Chi-restraints excluded: chain DP residue 27 MET Chi-restraints excluded: chain DP residue 48 VAL Chi-restraints excluded: chain DP residue 69 GLU Chi-restraints excluded: chain AQ residue 7 GLU Chi-restraints excluded: chain AQ residue 28 TRP Chi-restraints excluded: chain AQ residue 30 LYS Chi-restraints excluded: chain BQ residue 75 LEU Chi-restraints excluded: chain CQ residue 13 GLU Chi-restraints excluded: chain CQ residue 75 LEU Chi-restraints excluded: chain DQ residue 13 GLU Chi-restraints excluded: chain DQ residue 22 GLU Chi-restraints excluded: chain DQ residue 48 VAL Chi-restraints excluded: chain AR residue 7 GLU Chi-restraints excluded: chain AR residue 28 TRP Chi-restraints excluded: chain AR residue 35 ARG Chi-restraints excluded: chain BR residue 75 LEU Chi-restraints excluded: chain BR residue 83 ARG Chi-restraints excluded: chain CR residue 84 VAL Chi-restraints excluded: chain DR residue 22 GLU Chi-restraints excluded: chain DR residue 48 VAL Chi-restraints excluded: chain DR residue 66 ASP Chi-restraints excluded: chain AS residue 7 GLU Chi-restraints excluded: chain AS residue 22 LYS Chi-restraints excluded: chain AS residue 28 TRP Chi-restraints excluded: chain BS residue 11 MET Chi-restraints excluded: chain BS residue 28 THR Chi-restraints excluded: chain BS residue 75 LEU Chi-restraints excluded: chain BS residue 84 VAL Chi-restraints excluded: chain DS residue 38 ARG Chi-restraints excluded: chain DS residue 48 VAL Chi-restraints excluded: chain DS residue 66 ASP Chi-restraints excluded: chain DS residue 86 SER Chi-restraints excluded: chain AT residue 7 GLU Chi-restraints excluded: chain AT residue 30 LYS Chi-restraints excluded: chain AT residue 39 VAL Chi-restraints excluded: chain BT residue 83 ARG Chi-restraints excluded: chain CT residue 88 VAL Chi-restraints excluded: chain DT residue 13 GLU Chi-restraints excluded: chain DT residue 22 GLU Chi-restraints excluded: chain DT residue 48 VAL Chi-restraints excluded: chain DT residue 66 ASP Chi-restraints excluded: chain AV residue 7 GLU Chi-restraints excluded: chain AV residue 10 LEU Chi-restraints excluded: chain AV residue 28 TRP Chi-restraints excluded: chain BV residue 70 ARG Chi-restraints excluded: chain CV residue 83 ARG Chi-restraints excluded: chain CV residue 88 VAL Chi-restraints excluded: chain DV residue 14 THR Chi-restraints excluded: chain DV residue 27 MET Chi-restraints excluded: chain DV residue 48 VAL Chi-restraints excluded: chain DV residue 69 GLU Chi-restraints excluded: chain AW residue 7 GLU Chi-restraints excluded: chain AW residue 28 TRP Chi-restraints excluded: chain BW residue 75 LEU Chi-restraints excluded: chain CW residue 13 GLU Chi-restraints excluded: chain CW residue 75 LEU Chi-restraints excluded: chain DW residue 13 GLU Chi-restraints excluded: chain DW residue 22 GLU Chi-restraints excluded: chain DW residue 48 VAL Chi-restraints excluded: chain AX residue 7 GLU Chi-restraints excluded: chain AX residue 28 TRP Chi-restraints excluded: chain AX residue 30 LYS Chi-restraints excluded: chain AX residue 35 ARG Chi-restraints excluded: chain BX residue 75 LEU Chi-restraints excluded: chain BX residue 83 ARG Chi-restraints excluded: chain CX residue 84 VAL Chi-restraints excluded: chain DX residue 48 VAL Chi-restraints excluded: chain DX residue 66 ASP Chi-restraints excluded: chain AY residue 7 GLU Chi-restraints excluded: chain AY residue 22 LYS Chi-restraints excluded: chain AY residue 28 TRP Chi-restraints excluded: chain BY residue 28 THR Chi-restraints excluded: chain BY residue 75 LEU Chi-restraints excluded: chain BY residue 84 VAL Chi-restraints excluded: chain CY residue 70 ARG Chi-restraints excluded: chain DY residue 38 ARG Chi-restraints excluded: chain DY residue 48 VAL Chi-restraints excluded: chain DY residue 66 ASP Chi-restraints excluded: chain DY residue 86 SER Chi-restraints excluded: chain AZ residue 7 GLU Chi-restraints excluded: chain AZ residue 30 LYS Chi-restraints excluded: chain AZ residue 39 VAL Chi-restraints excluded: chain BZ residue 83 ARG Chi-restraints excluded: chain CZ residue 84 VAL Chi-restraints excluded: chain CZ residue 88 VAL Chi-restraints excluded: chain DZ residue 13 GLU Chi-restraints excluded: chain DZ residue 22 GLU Chi-restraints excluded: chain DZ residue 48 VAL Chi-restraints excluded: chain DZ residue 66 ASP Chi-restraints excluded: chain Aa residue 7 GLU Chi-restraints excluded: chain Aa residue 8 LYS Chi-restraints excluded: chain Aa residue 10 LEU Chi-restraints excluded: chain Aa residue 28 TRP Chi-restraints excluded: chain Ba residue 70 ARG Chi-restraints excluded: chain Ca residue 83 ARG Chi-restraints excluded: chain Ca residue 88 VAL Chi-restraints excluded: chain Da residue 14 THR Chi-restraints excluded: chain Da residue 27 MET Chi-restraints excluded: chain Da residue 48 VAL Chi-restraints excluded: chain Da residue 69 GLU Chi-restraints excluded: chain Ab residue 7 GLU Chi-restraints excluded: chain Ab residue 30 LYS Chi-restraints excluded: chain Bb residue 75 LEU Chi-restraints excluded: chain Cb residue 11 MET Chi-restraints excluded: chain Cb residue 13 GLU Chi-restraints excluded: chain Cb residue 75 LEU Chi-restraints excluded: chain Db residue 13 GLU Chi-restraints excluded: chain Db residue 22 GLU Chi-restraints excluded: chain Db residue 38 ARG Chi-restraints excluded: chain Db residue 48 VAL Chi-restraints excluded: chain Ac residue 7 GLU Chi-restraints excluded: chain Ac residue 28 TRP Chi-restraints excluded: chain Ac residue 30 LYS Chi-restraints excluded: chain Ac residue 35 ARG Chi-restraints excluded: chain Bc residue 75 LEU Chi-restraints excluded: chain Bc residue 83 ARG Chi-restraints excluded: chain Cc residue 84 VAL Chi-restraints excluded: chain Dc residue 22 GLU Chi-restraints excluded: chain Dc residue 38 ARG Chi-restraints excluded: chain Dc residue 48 VAL Chi-restraints excluded: chain Dc residue 66 ASP Chi-restraints excluded: chain Ad residue 7 GLU Chi-restraints excluded: chain Ad residue 22 LYS Chi-restraints excluded: chain Ad residue 28 TRP Chi-restraints excluded: chain Bd residue 28 THR Chi-restraints excluded: chain Bd residue 75 LEU Chi-restraints excluded: chain Bd residue 84 VAL Chi-restraints excluded: chain Cd residue 83 ARG Chi-restraints excluded: chain Dd residue 38 ARG Chi-restraints excluded: chain Dd residue 48 VAL Chi-restraints excluded: chain Dd residue 66 ASP Chi-restraints excluded: chain Dd residue 86 SER Chi-restraints excluded: chain Ae residue 30 LYS Chi-restraints excluded: chain Ae residue 39 VAL Chi-restraints excluded: chain Ce residue 75 LEU Chi-restraints excluded: chain Ce residue 84 VAL Chi-restraints excluded: chain Ce residue 88 VAL Chi-restraints excluded: chain De residue 13 GLU Chi-restraints excluded: chain De residue 22 GLU Chi-restraints excluded: chain De residue 48 VAL Chi-restraints excluded: chain De residue 66 ASP Chi-restraints excluded: chain Af residue 7 GLU Chi-restraints excluded: chain Af residue 10 LEU Chi-restraints excluded: chain Af residue 28 TRP Chi-restraints excluded: chain Bf residue 70 ARG Chi-restraints excluded: chain Cf residue 83 ARG Chi-restraints excluded: chain Cf residue 88 VAL Chi-restraints excluded: chain Df residue 14 THR Chi-restraints excluded: chain Df residue 27 MET Chi-restraints excluded: chain Df residue 34 ARG Chi-restraints excluded: chain Df residue 48 VAL Chi-restraints excluded: chain Df residue 69 GLU Chi-restraints excluded: chain Ag residue 7 GLU Chi-restraints excluded: chain Ag residue 28 TRP Chi-restraints excluded: chain Bg residue 75 LEU Chi-restraints excluded: chain Cg residue 11 MET Chi-restraints excluded: chain Cg residue 13 GLU Chi-restraints excluded: chain Cg residue 75 LEU Chi-restraints excluded: chain Dg residue 13 GLU Chi-restraints excluded: chain Dg residue 22 GLU Chi-restraints excluded: chain Dg residue 48 VAL Chi-restraints excluded: chain Ah residue 7 GLU Chi-restraints excluded: chain Ah residue 28 TRP Chi-restraints excluded: chain Ah residue 30 LYS Chi-restraints excluded: chain Ah residue 35 ARG Chi-restraints excluded: chain Bh residue 75 LEU Chi-restraints excluded: chain Bh residue 83 ARG Chi-restraints excluded: chain Dh residue 48 VAL Chi-restraints excluded: chain Dh residue 66 ASP Chi-restraints excluded: chain Ai residue 7 GLU Chi-restraints excluded: chain Ai residue 22 LYS Chi-restraints excluded: chain Ai residue 28 TRP Chi-restraints excluded: chain Bi residue 28 THR Chi-restraints excluded: chain Bi residue 75 LEU Chi-restraints excluded: chain Bi residue 83 ARG Chi-restraints excluded: chain Bi residue 84 VAL Chi-restraints excluded: chain Ci residue 70 ARG Chi-restraints excluded: chain Di residue 38 ARG Chi-restraints excluded: chain Di residue 48 VAL Chi-restraints excluded: chain Di residue 66 ASP Chi-restraints excluded: chain Di residue 86 SER Chi-restraints excluded: chain Aj residue 7 GLU Chi-restraints excluded: chain Aj residue 30 LYS Chi-restraints excluded: chain Aj residue 39 VAL Chi-restraints excluded: chain Bj residue 83 ARG Chi-restraints excluded: chain Cj residue 69 GLU Chi-restraints excluded: chain Cj residue 70 ARG Chi-restraints excluded: chain Cj residue 88 VAL Chi-restraints excluded: chain Dj residue 13 GLU Chi-restraints excluded: chain Dj residue 22 GLU Chi-restraints excluded: chain Dj residue 48 VAL Chi-restraints excluded: chain Dj residue 66 ASP Chi-restraints excluded: chain Ak residue 2 LYS Chi-restraints excluded: chain Ak residue 7 GLU Chi-restraints excluded: chain Ak residue 10 LEU Chi-restraints excluded: chain Ak residue 28 TRP Chi-restraints excluded: chain Bk residue 70 ARG Chi-restraints excluded: chain Ck residue 83 ARG Chi-restraints excluded: chain Ck residue 88 VAL Chi-restraints excluded: chain Dk residue 27 MET Chi-restraints excluded: chain Dk residue 34 ARG Chi-restraints excluded: chain Dk residue 48 VAL Chi-restraints excluded: chain Dk residue 69 GLU Chi-restraints excluded: chain Al residue 7 GLU Chi-restraints excluded: chain Al residue 30 LYS Chi-restraints excluded: chain Bl residue 75 LEU Chi-restraints excluded: chain Cl residue 11 MET Chi-restraints excluded: chain Cl residue 13 GLU Chi-restraints excluded: chain Dl residue 13 GLU Chi-restraints excluded: chain Dl residue 22 GLU Chi-restraints excluded: chain Dl residue 48 VAL Chi-restraints excluded: chain Am residue 7 GLU Chi-restraints excluded: chain Am residue 28 TRP Chi-restraints excluded: chain Am residue 35 ARG Chi-restraints excluded: chain Bm residue 75 LEU Chi-restraints excluded: chain Bm residue 83 ARG Chi-restraints excluded: chain Cm residue 84 VAL Chi-restraints excluded: chain Dm residue 22 GLU Chi-restraints excluded: chain Dm residue 48 VAL Chi-restraints excluded: chain Dm residue 66 ASP Chi-restraints excluded: chain An residue 7 GLU Chi-restraints excluded: chain An residue 22 LYS Chi-restraints excluded: chain An residue 28 TRP Chi-restraints excluded: chain An residue 30 LYS Chi-restraints excluded: chain Bn residue 28 THR Chi-restraints excluded: chain Bn residue 75 LEU Chi-restraints excluded: chain Bn residue 84 VAL Chi-restraints excluded: chain Cn residue 83 ARG Chi-restraints excluded: chain Dn residue 38 ARG Chi-restraints excluded: chain Dn residue 48 VAL Chi-restraints excluded: chain Dn residue 66 ASP Chi-restraints excluded: chain Dn residue 86 SER Chi-restraints excluded: chain Ao residue 30 LYS Chi-restraints excluded: chain Ao residue 39 VAL Chi-restraints excluded: chain Co residue 75 LEU Chi-restraints excluded: chain Co residue 84 VAL Chi-restraints excluded: chain Co residue 88 VAL Chi-restraints excluded: chain Do residue 22 GLU Chi-restraints excluded: chain Do residue 48 VAL Chi-restraints excluded: chain Do residue 66 ASP Chi-restraints excluded: chain Ap residue 2 LYS Chi-restraints excluded: chain Ap residue 7 GLU Chi-restraints excluded: chain Ap residue 10 LEU Chi-restraints excluded: chain Ap residue 28 TRP Chi-restraints excluded: chain Bp residue 70 ARG Chi-restraints excluded: chain Cp residue 83 ARG Chi-restraints excluded: chain Cp residue 88 VAL Chi-restraints excluded: chain Dp residue 14 THR Chi-restraints excluded: chain Dp residue 27 MET Chi-restraints excluded: chain Dp residue 48 VAL Chi-restraints excluded: chain Dp residue 69 GLU Chi-restraints excluded: chain Aq residue 7 GLU Chi-restraints excluded: chain Bq residue 75 LEU Chi-restraints excluded: chain Cq residue 11 MET Chi-restraints excluded: chain Cq residue 13 GLU Chi-restraints excluded: chain Cq residue 75 LEU Chi-restraints excluded: chain Dq residue 22 GLU Chi-restraints excluded: chain Dq residue 48 VAL Chi-restraints excluded: chain Ar residue 7 GLU Chi-restraints excluded: chain Ar residue 28 TRP Chi-restraints excluded: chain Ar residue 30 LYS Chi-restraints excluded: chain Ar residue 35 ARG Chi-restraints excluded: chain Br residue 83 ARG Chi-restraints excluded: chain Dr residue 38 ARG Chi-restraints excluded: chain Dr residue 48 VAL Chi-restraints excluded: chain Dr residue 66 ASP Chi-restraints excluded: chain As residue 7 GLU Chi-restraints excluded: chain As residue 22 LYS Chi-restraints excluded: chain As residue 28 TRP Chi-restraints excluded: chain Bs residue 28 THR Chi-restraints excluded: chain Bs residue 75 LEU Chi-restraints excluded: chain Bs residue 84 VAL Chi-restraints excluded: chain Cs residue 70 ARG Chi-restraints excluded: chain Ds residue 38 ARG Chi-restraints excluded: chain Ds residue 48 VAL Chi-restraints excluded: chain Ds residue 66 ASP Chi-restraints excluded: chain Ds residue 86 SER Chi-restraints excluded: chain At residue 30 LYS Chi-restraints excluded: chain At residue 39 VAL Chi-restraints excluded: chain Ct residue 84 VAL Chi-restraints excluded: chain Ct residue 88 VAL Chi-restraints excluded: chain Dt residue 13 GLU Chi-restraints excluded: chain Dt residue 22 GLU Chi-restraints excluded: chain Dt residue 48 VAL Chi-restraints excluded: chain Dt residue 66 ASP Chi-restraints excluded: chain Av residue 7 GLU Chi-restraints excluded: chain Av residue 28 TRP Chi-restraints excluded: chain Bv residue 70 ARG Chi-restraints excluded: chain Cv residue 83 ARG Chi-restraints excluded: chain Cv residue 88 VAL Chi-restraints excluded: chain Dv residue 14 THR Chi-restraints excluded: chain Dv residue 27 MET Chi-restraints excluded: chain Dv residue 34 ARG Chi-restraints excluded: chain Dv residue 48 VAL Chi-restraints excluded: chain Dv residue 69 GLU Chi-restraints excluded: chain Aw residue 7 GLU Chi-restraints excluded: chain Aw residue 28 TRP Chi-restraints excluded: chain Bw residue 75 LEU Chi-restraints excluded: chain Cw residue 11 MET Chi-restraints excluded: chain Cw residue 13 GLU Chi-restraints excluded: chain Cw residue 75 LEU Chi-restraints excluded: chain Dw residue 13 GLU Chi-restraints excluded: chain Dw residue 22 GLU Chi-restraints excluded: chain Dw residue 38 ARG Chi-restraints excluded: chain Dw residue 48 VAL Chi-restraints excluded: chain Ax residue 7 GLU Chi-restraints excluded: chain Ax residue 28 TRP Chi-restraints excluded: chain Ax residue 30 LYS Chi-restraints excluded: chain Ax residue 35 ARG Chi-restraints excluded: chain Bx residue 75 LEU Chi-restraints excluded: chain Bx residue 83 ARG Chi-restraints excluded: chain Cx residue 84 VAL Chi-restraints excluded: chain Dx residue 22 GLU Chi-restraints excluded: chain Dx residue 38 ARG Chi-restraints excluded: chain Dx residue 48 VAL Chi-restraints excluded: chain Dx residue 66 ASP Chi-restraints excluded: chain Ay residue 4 MET Chi-restraints excluded: chain Ay residue 7 GLU Chi-restraints excluded: chain Ay residue 22 LYS Chi-restraints excluded: chain Ay residue 28 TRP Chi-restraints excluded: chain By residue 11 MET Chi-restraints excluded: chain By residue 28 THR Chi-restraints excluded: chain By residue 75 LEU Chi-restraints excluded: chain By residue 84 VAL Chi-restraints excluded: chain Dy residue 38 ARG Chi-restraints excluded: chain Dy residue 48 VAL Chi-restraints excluded: chain Dy residue 66 ASP Chi-restraints excluded: chain Dy residue 86 SER Chi-restraints excluded: chain Az residue 7 GLU Chi-restraints excluded: chain Az residue 30 LYS Chi-restraints excluded: chain Cz residue 84 VAL Chi-restraints excluded: chain Cz residue 88 VAL Chi-restraints excluded: chain Dz residue 13 GLU Chi-restraints excluded: chain Dz residue 22 GLU Chi-restraints excluded: chain Dz residue 48 VAL Chi-restraints excluded: chain Dz residue 66 ASP Chi-restraints excluded: chain A0 residue 7 GLU Chi-restraints excluded: chain A0 residue 8 LYS Chi-restraints excluded: chain A0 residue 10 LEU Chi-restraints excluded: chain A0 residue 28 TRP Chi-restraints excluded: chain B0 residue 70 ARG Chi-restraints excluded: chain C0 residue 83 ARG Chi-restraints excluded: chain C0 residue 88 VAL Chi-restraints excluded: chain D0 residue 14 THR Chi-restraints excluded: chain D0 residue 27 MET Chi-restraints excluded: chain D0 residue 48 VAL Chi-restraints excluded: chain D0 residue 69 GLU Chi-restraints excluded: chain A1 residue 7 GLU Chi-restraints excluded: chain A1 residue 28 TRP Chi-restraints excluded: chain B1 residue 75 LEU Chi-restraints excluded: chain C1 residue 11 MET Chi-restraints excluded: chain C1 residue 13 GLU Chi-restraints excluded: chain C1 residue 75 LEU Chi-restraints excluded: chain D1 residue 22 GLU Chi-restraints excluded: chain D1 residue 38 ARG Chi-restraints excluded: chain D1 residue 48 VAL Chi-restraints excluded: chain A2 residue 7 GLU Chi-restraints excluded: chain A2 residue 28 TRP Chi-restraints excluded: chain A2 residue 35 ARG Chi-restraints excluded: chain B2 residue 75 LEU Chi-restraints excluded: chain B2 residue 83 ARG Chi-restraints excluded: chain C2 residue 84 VAL Chi-restraints excluded: chain D2 residue 22 GLU Chi-restraints excluded: chain D2 residue 38 ARG Chi-restraints excluded: chain D2 residue 48 VAL Chi-restraints excluded: chain D2 residue 66 ASP Chi-restraints excluded: chain A3 residue 7 GLU Chi-restraints excluded: chain A3 residue 22 LYS Chi-restraints excluded: chain A3 residue 28 TRP Chi-restraints excluded: chain B3 residue 75 LEU Chi-restraints excluded: chain B3 residue 84 VAL Chi-restraints excluded: chain C3 residue 70 ARG Chi-restraints excluded: chain D3 residue 48 VAL Chi-restraints excluded: chain D3 residue 66 ASP Chi-restraints excluded: chain D3 residue 86 SER Chi-restraints excluded: chain A4 residue 30 LYS Chi-restraints excluded: chain A4 residue 39 VAL Chi-restraints excluded: chain B4 residue 83 ARG Chi-restraints excluded: chain C4 residue 69 GLU Chi-restraints excluded: chain C4 residue 84 VAL Chi-restraints excluded: chain C4 residue 88 VAL Chi-restraints excluded: chain D4 residue 22 GLU Chi-restraints excluded: chain D4 residue 48 VAL Chi-restraints excluded: chain D4 residue 66 ASP Chi-restraints excluded: chain A5 residue 7 GLU Chi-restraints excluded: chain A5 residue 8 LYS Chi-restraints excluded: chain A5 residue 10 LEU Chi-restraints excluded: chain A5 residue 28 TRP Chi-restraints excluded: chain B5 residue 70 ARG Chi-restraints excluded: chain C5 residue 83 ARG Chi-restraints excluded: chain C5 residue 88 VAL Chi-restraints excluded: chain D5 residue 27 MET Chi-restraints excluded: chain D5 residue 48 VAL Chi-restraints excluded: chain D5 residue 69 GLU Chi-restraints excluded: chain A6 residue 7 GLU Chi-restraints excluded: chain A6 residue 28 TRP Chi-restraints excluded: chain B6 residue 75 LEU Chi-restraints excluded: chain C6 residue 11 MET Chi-restraints excluded: chain C6 residue 13 GLU Chi-restraints excluded: chain C6 residue 75 LEU Chi-restraints excluded: chain D6 residue 22 GLU Chi-restraints excluded: chain D6 residue 48 VAL Chi-restraints excluded: chain A7 residue 7 GLU Chi-restraints excluded: chain A7 residue 28 TRP Chi-restraints excluded: chain A7 residue 30 LYS Chi-restraints excluded: chain A7 residue 35 ARG Chi-restraints excluded: chain B7 residue 75 LEU Chi-restraints excluded: chain B7 residue 83 ARG Chi-restraints excluded: chain C7 residue 84 VAL Chi-restraints excluded: chain D7 residue 22 GLU Chi-restraints excluded: chain D7 residue 48 VAL Chi-restraints excluded: chain D7 residue 66 ASP Chi-restraints excluded: chain A8 residue 7 GLU Chi-restraints excluded: chain A8 residue 22 LYS Chi-restraints excluded: chain A8 residue 28 TRP Chi-restraints excluded: chain B8 residue 28 THR Chi-restraints excluded: chain B8 residue 75 LEU Chi-restraints excluded: chain B8 residue 84 VAL Chi-restraints excluded: chain C8 residue 70 ARG Chi-restraints excluded: chain D8 residue 38 ARG Chi-restraints excluded: chain D8 residue 48 VAL Chi-restraints excluded: chain D8 residue 66 ASP Chi-restraints excluded: chain D8 residue 86 SER Chi-restraints excluded: chain A9 residue 7 GLU Chi-restraints excluded: chain A9 residue 30 LYS Chi-restraints excluded: chain A9 residue 39 VAL Chi-restraints excluded: chain D9 residue 13 GLU Chi-restraints excluded: chain D9 residue 22 GLU Chi-restraints excluded: chain D9 residue 48 VAL Chi-restraints excluded: chain D9 residue 66 ASP Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1683 optimal weight: 20.0000 chunk 1772 optimal weight: 20.0000 chunk 1617 optimal weight: 6.9990 chunk 1724 optimal weight: 10.0000 chunk 1037 optimal weight: 5.9990 chunk 751 optimal weight: 5.9990 chunk 1354 optimal weight: 7.9990 chunk 529 optimal weight: 10.0000 chunk 1558 optimal weight: 10.0000 chunk 1631 optimal weight: 2.9990 chunk 1718 optimal weight: 20.0000 overall best weight: 5.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: BL 85 HIS DM 39 GLN Dc 39 GLN Dr 39 GLN Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8401 moved from start: 0.1623 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.036 151920 Z= 0.275 Angle : 0.637 10.862 205800 Z= 0.333 Chirality : 0.045 0.135 24900 Planarity : 0.004 0.032 26760 Dihedral : 4.868 21.370 22260 Min Nonbonded Distance : 2.115 Molprobity Statistics. All-atom Clashscore : 5.67 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.11 % Favored : 97.89 % Rotamer: Outliers : 4.56 % Allowed : 23.78 % Favored : 71.65 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.62 (0.06), residues: 20340 helix: 1.24 (0.07), residues: 6060 sheet: 0.79 (0.07), residues: 6180 loop : -0.47 (0.07), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.048 0.003 TRPAg 28 HIS 0.005 0.001 HISBh 79 PHE 0.007 0.001 PHEDO 40 TYR 0.008 0.001 TYRCG 45 ARG 0.005 0.000 ARGBH 70 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4223 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 679 poor density : 3544 time to evaluate : 10.373 Fit side-chains REVERT: AA 7 GLU cc_start: 0.7848 (OUTLIER) cc_final: 0.7029 (mt-10) REVERT: AA 8 LYS cc_start: 0.8490 (OUTLIER) cc_final: 0.8251 (pttm) REVERT: AA 28 TRP cc_start: 0.8650 (OUTLIER) cc_final: 0.7378 (p90) REVERT: BA 13 GLU cc_start: 0.8349 (tt0) cc_final: 0.8085 (tp30) REVERT: BA 70 ARG cc_start: 0.7114 (OUTLIER) cc_final: 0.6715 (mtp180) REVERT: AB 7 GLU cc_start: 0.7854 (OUTLIER) cc_final: 0.7069 (mt-10) REVERT: AB 30 LYS cc_start: 0.8122 (OUTLIER) cc_final: 0.7828 (pmmt) REVERT: BB 75 LEU cc_start: 0.8863 (OUTLIER) cc_final: 0.8553 (tp) REVERT: CB 75 LEU cc_start: 0.8923 (OUTLIER) cc_final: 0.8589 (tp) REVERT: DB 22 GLU cc_start: 0.7605 (OUTLIER) cc_final: 0.6940 (tm-30) REVERT: AC 7 GLU cc_start: 0.7925 (OUTLIER) cc_final: 0.7175 (mt-10) REVERT: AC 30 LYS cc_start: 0.8264 (OUTLIER) cc_final: 0.7917 (pmmt) REVERT: BC 83 ARG cc_start: 0.7996 (OUTLIER) cc_final: 0.7758 (ptt90) REVERT: CC 34 ARG cc_start: 0.7837 (ttp-110) cc_final: 0.7502 (ttp-170) REVERT: DC 22 GLU cc_start: 0.7445 (OUTLIER) cc_final: 0.7052 (tp30) REVERT: AD 7 GLU cc_start: 0.7953 (OUTLIER) cc_final: 0.7241 (mt-10) REVERT: AD 22 LYS cc_start: 0.8800 (OUTLIER) cc_final: 0.7521 (mppt) REVERT: DD 38 ARG cc_start: 0.8783 (OUTLIER) cc_final: 0.7357 (tmm-80) REVERT: AE 7 GLU cc_start: 0.7816 (OUTLIER) cc_final: 0.7505 (mm-30) REVERT: AE 22 LYS cc_start: 0.8894 (mptt) cc_final: 0.8513 (mmtt) REVERT: DE 22 GLU cc_start: 0.7560 (OUTLIER) cc_final: 0.7056 (tp30) REVERT: DE 66 ASP cc_start: 0.7146 (OUTLIER) cc_final: 0.6877 (t70) REVERT: AF 7 GLU cc_start: 0.7938 (OUTLIER) cc_final: 0.7144 (mm-30) REVERT: AF 8 LYS cc_start: 0.8509 (OUTLIER) cc_final: 0.8284 (pttm) REVERT: AF 28 TRP cc_start: 0.8642 (OUTLIER) cc_final: 0.7368 (p90) REVERT: BF 13 GLU cc_start: 0.8332 (tt0) cc_final: 0.8061 (tp30) REVERT: BF 70 ARG cc_start: 0.7114 (OUTLIER) cc_final: 0.6699 (mtp-110) REVERT: BF 83 ARG cc_start: 0.8046 (ptt90) cc_final: 0.7691 (ptt180) REVERT: AG 7 GLU cc_start: 0.7834 (OUTLIER) cc_final: 0.6906 (mt-10) REVERT: BG 75 LEU cc_start: 0.8900 (OUTLIER) cc_final: 0.8640 (tp) REVERT: CG 75 LEU cc_start: 0.8927 (OUTLIER) cc_final: 0.8602 (tp) REVERT: DG 22 GLU cc_start: 0.7605 (OUTLIER) cc_final: 0.6925 (tm-30) REVERT: AH 7 GLU cc_start: 0.7910 (OUTLIER) cc_final: 0.7118 (mt-10) REVERT: AH 30 LYS cc_start: 0.8266 (OUTLIER) cc_final: 0.7923 (pmmt) REVERT: BH 83 ARG cc_start: 0.7977 (OUTLIER) cc_final: 0.7766 (ptt90) REVERT: CH 34 ARG cc_start: 0.7818 (ttp-110) cc_final: 0.7488 (ttp-170) REVERT: DH 22 GLU cc_start: 0.7524 (OUTLIER) cc_final: 0.6789 (tm-30) REVERT: AI 7 GLU cc_start: 0.7959 (OUTLIER) cc_final: 0.7228 (mt-10) REVERT: AI 22 LYS cc_start: 0.8797 (OUTLIER) cc_final: 0.7510 (mppt) REVERT: DI 38 ARG cc_start: 0.8779 (OUTLIER) cc_final: 0.7332 (tmm-80) REVERT: AJ 7 GLU cc_start: 0.7823 (OUTLIER) cc_final: 0.7514 (mm-30) REVERT: AJ 22 LYS cc_start: 0.8883 (mptt) cc_final: 0.8508 (mmtt) REVERT: CJ 75 LEU cc_start: 0.8887 (OUTLIER) cc_final: 0.8680 (tp) REVERT: DJ 22 GLU cc_start: 0.7554 (OUTLIER) cc_final: 0.7052 (tp30) REVERT: DJ 66 ASP cc_start: 0.7186 (OUTLIER) cc_final: 0.6845 (t70) REVERT: AK 7 GLU cc_start: 0.7866 (OUTLIER) cc_final: 0.7078 (mm-30) REVERT: AK 8 LYS cc_start: 0.8489 (OUTLIER) cc_final: 0.8249 (pttm) REVERT: AK 28 TRP cc_start: 0.8655 (OUTLIER) cc_final: 0.7356 (p90) REVERT: BK 13 GLU cc_start: 0.8329 (tt0) cc_final: 0.8055 (tp30) REVERT: BK 70 ARG cc_start: 0.7119 (OUTLIER) cc_final: 0.6694 (mtp-110) REVERT: BK 83 ARG cc_start: 0.8043 (ptt90) cc_final: 0.7692 (ptt180) REVERT: CK 34 ARG cc_start: 0.7821 (ttm110) cc_final: 0.7616 (ttm110) REVERT: BL 75 LEU cc_start: 0.8864 (OUTLIER) cc_final: 0.8593 (tp) REVERT: CL 75 LEU cc_start: 0.8928 (OUTLIER) cc_final: 0.8597 (tp) REVERT: DL 22 GLU cc_start: 0.7616 (OUTLIER) cc_final: 0.6941 (tm-30) REVERT: AM 7 GLU cc_start: 0.7994 (OUTLIER) cc_final: 0.7257 (mt-10) REVERT: AM 30 LYS cc_start: 0.8328 (OUTLIER) cc_final: 0.8039 (pmmt) REVERT: BM 83 ARG cc_start: 0.8001 (OUTLIER) cc_final: 0.7764 (ptt90) REVERT: CM 34 ARG cc_start: 0.7813 (ttp-110) cc_final: 0.7482 (ttp-170) REVERT: DM 22 GLU cc_start: 0.7452 (OUTLIER) cc_final: 0.7057 (tp30) REVERT: AN 4 MET cc_start: 0.8149 (OUTLIER) cc_final: 0.7484 (mmm) REVERT: AN 7 GLU cc_start: 0.7999 (OUTLIER) cc_final: 0.7263 (mt-10) REVERT: AN 22 LYS cc_start: 0.8790 (OUTLIER) cc_final: 0.7521 (mppt) REVERT: CN 70 ARG cc_start: 0.6133 (OUTLIER) cc_final: 0.5906 (mtt90) REVERT: DN 38 ARG cc_start: 0.8792 (OUTLIER) cc_final: 0.7353 (tmm-80) REVERT: AO 7 GLU cc_start: 0.7818 (OUTLIER) cc_final: 0.7511 (mm-30) REVERT: AO 22 LYS cc_start: 0.8882 (mptt) cc_final: 0.8506 (mmtt) REVERT: DO 22 GLU cc_start: 0.7563 (OUTLIER) cc_final: 0.7047 (tp30) REVERT: DO 66 ASP cc_start: 0.7243 (OUTLIER) cc_final: 0.6921 (t70) REVERT: AP 7 GLU cc_start: 0.7925 (OUTLIER) cc_final: 0.7126 (mt-10) REVERT: AP 8 LYS cc_start: 0.8590 (OUTLIER) cc_final: 0.8327 (pttm) REVERT: AP 28 TRP cc_start: 0.8629 (OUTLIER) cc_final: 0.7339 (p90) REVERT: BP 13 GLU cc_start: 0.8345 (tt0) cc_final: 0.8096 (tp30) REVERT: BP 70 ARG cc_start: 0.7119 (OUTLIER) cc_final: 0.6722 (mtp180) REVERT: CP 34 ARG cc_start: 0.7823 (ttm110) cc_final: 0.7618 (ttm110) REVERT: AQ 30 LYS cc_start: 0.8198 (OUTLIER) cc_final: 0.7810 (pmmt) REVERT: BQ 75 LEU cc_start: 0.8849 (OUTLIER) cc_final: 0.8591 (tp) REVERT: CQ 75 LEU cc_start: 0.8922 (OUTLIER) cc_final: 0.8612 (tp) REVERT: DQ 13 GLU cc_start: 0.8601 (OUTLIER) cc_final: 0.8199 (tp30) REVERT: DQ 22 GLU cc_start: 0.7587 (OUTLIER) cc_final: 0.6957 (tm-30) REVERT: AR 7 GLU cc_start: 0.7949 (OUTLIER) cc_final: 0.7193 (mt-10) REVERT: BR 83 ARG cc_start: 0.7994 (OUTLIER) cc_final: 0.7780 (ptt90) REVERT: CR 34 ARG cc_start: 0.7822 (ttp-110) cc_final: 0.7490 (ttp-170) REVERT: DR 22 GLU cc_start: 0.7523 (OUTLIER) cc_final: 0.6790 (tm-30) REVERT: AS 7 GLU cc_start: 0.7959 (OUTLIER) cc_final: 0.7243 (mt-10) REVERT: AS 22 LYS cc_start: 0.8816 (OUTLIER) cc_final: 0.7548 (mppt) REVERT: AS 60 GLU cc_start: 0.7615 (tp30) cc_final: 0.7395 (tp30) REVERT: DS 38 ARG cc_start: 0.8782 (OUTLIER) cc_final: 0.7349 (tmm-80) REVERT: AT 7 GLU cc_start: 0.7820 (OUTLIER) cc_final: 0.7507 (mm-30) REVERT: AT 22 LYS cc_start: 0.8891 (mptt) cc_final: 0.8509 (mmtt) REVERT: DT 22 GLU cc_start: 0.7557 (OUTLIER) cc_final: 0.7053 (tp30) REVERT: DT 66 ASP cc_start: 0.7185 (OUTLIER) cc_final: 0.6842 (t70) REVERT: AV 7 GLU cc_start: 0.7933 (OUTLIER) cc_final: 0.7096 (mm-30) REVERT: AV 28 TRP cc_start: 0.8643 (OUTLIER) cc_final: 0.7366 (p90) REVERT: BV 13 GLU cc_start: 0.8318 (tt0) cc_final: 0.8076 (tp30) REVERT: BV 70 ARG cc_start: 0.7115 (OUTLIER) cc_final: 0.6703 (mtp180) REVERT: CV 34 ARG cc_start: 0.7854 (ttm110) cc_final: 0.7631 (ttm110) REVERT: BW 75 LEU cc_start: 0.8870 (OUTLIER) cc_final: 0.8571 (tp) REVERT: CW 75 LEU cc_start: 0.8954 (OUTLIER) cc_final: 0.8624 (tp) REVERT: DW 13 GLU cc_start: 0.8616 (OUTLIER) cc_final: 0.8206 (tp30) REVERT: DW 22 GLU cc_start: 0.7562 (OUTLIER) cc_final: 0.6912 (tm-30) REVERT: AX 7 GLU cc_start: 0.7924 (OUTLIER) cc_final: 0.7184 (mt-10) REVERT: AX 30 LYS cc_start: 0.8274 (OUTLIER) cc_final: 0.7943 (pmmt) REVERT: BX 83 ARG cc_start: 0.8040 (OUTLIER) cc_final: 0.7805 (ptt90) REVERT: CX 34 ARG cc_start: 0.7856 (ttp-110) cc_final: 0.7511 (ttp-170) REVERT: DX 22 GLU cc_start: 0.7423 (OUTLIER) cc_final: 0.7014 (tp30) REVERT: AY 7 GLU cc_start: 0.7997 (OUTLIER) cc_final: 0.7285 (mt-10) REVERT: AY 22 LYS cc_start: 0.8768 (OUTLIER) cc_final: 0.7543 (mppt) REVERT: AY 60 GLU cc_start: 0.7625 (tp30) cc_final: 0.7403 (tp30) REVERT: CY 70 ARG cc_start: 0.6158 (OUTLIER) cc_final: 0.5928 (mtt90) REVERT: DY 38 ARG cc_start: 0.8777 (OUTLIER) cc_final: 0.7345 (tmm-80) REVERT: AZ 7 GLU cc_start: 0.7796 (OUTLIER) cc_final: 0.7519 (mm-30) REVERT: AZ 22 LYS cc_start: 0.8876 (mptt) cc_final: 0.8501 (mmtt) REVERT: BZ 51 ARG cc_start: 0.8493 (mtp180) cc_final: 0.8287 (mtp180) REVERT: DZ 22 GLU cc_start: 0.7570 (OUTLIER) cc_final: 0.7075 (tp30) REVERT: DZ 66 ASP cc_start: 0.7150 (OUTLIER) cc_final: 0.6872 (t70) REVERT: Aa 7 GLU cc_start: 0.7829 (OUTLIER) cc_final: 0.7001 (mt-10) REVERT: Aa 8 LYS cc_start: 0.8476 (OUTLIER) cc_final: 0.8242 (pttm) REVERT: Aa 28 TRP cc_start: 0.8632 (OUTLIER) cc_final: 0.7372 (p90) REVERT: Ba 13 GLU cc_start: 0.8329 (tt0) cc_final: 0.8045 (tp30) REVERT: Ba 70 ARG cc_start: 0.7111 (OUTLIER) cc_final: 0.6695 (mtp-110) REVERT: Ab 1 MET cc_start: 0.8721 (mpp) cc_final: 0.8475 (mpt) REVERT: Ab 7 GLU cc_start: 0.7780 (OUTLIER) cc_final: 0.7003 (mt-10) REVERT: Ab 22 LYS cc_start: 0.8598 (mttp) cc_final: 0.8319 (mttt) REVERT: Ab 30 LYS cc_start: 0.8136 (OUTLIER) cc_final: 0.7816 (pmmt) REVERT: Bb 75 LEU cc_start: 0.8876 (OUTLIER) cc_final: 0.8636 (tp) REVERT: Cb 75 LEU cc_start: 0.8959 (OUTLIER) cc_final: 0.8648 (tp) REVERT: Db 13 GLU cc_start: 0.8617 (OUTLIER) cc_final: 0.8212 (tp30) REVERT: Db 22 GLU cc_start: 0.7566 (OUTLIER) cc_final: 0.6905 (tm-30) REVERT: Ac 7 GLU cc_start: 0.7960 (OUTLIER) cc_final: 0.7231 (mt-10) REVERT: Ac 30 LYS cc_start: 0.8287 (OUTLIER) cc_final: 0.7945 (pmmt) REVERT: Bc 83 ARG cc_start: 0.8012 (OUTLIER) cc_final: 0.7775 (ptt90) REVERT: Cc 34 ARG cc_start: 0.7828 (ttp-110) cc_final: 0.7482 (ttp-170) REVERT: Dc 22 GLU cc_start: 0.7502 (OUTLIER) cc_final: 0.6740 (tm-30) REVERT: Ad 7 GLU cc_start: 0.8025 (OUTLIER) cc_final: 0.7304 (mt-10) REVERT: Ad 22 LYS cc_start: 0.8779 (OUTLIER) cc_final: 0.7534 (mppt) REVERT: Dd 38 ARG cc_start: 0.8784 (OUTLIER) cc_final: 0.7342 (tmm-80) REVERT: Ae 7 GLU cc_start: 0.7794 (OUTLIER) cc_final: 0.7539 (mm-30) REVERT: Ae 22 LYS cc_start: 0.8878 (mptt) cc_final: 0.8492 (mmtt) REVERT: Ce 75 LEU cc_start: 0.8890 (OUTLIER) cc_final: 0.8686 (tp) REVERT: De 22 GLU cc_start: 0.7560 (OUTLIER) cc_final: 0.7058 (tp30) REVERT: De 66 ASP cc_start: 0.7199 (OUTLIER) cc_final: 0.6845 (t70) REVERT: Af 7 GLU cc_start: 0.7777 (OUTLIER) cc_final: 0.6938 (mt-10) REVERT: Af 28 TRP cc_start: 0.8642 (OUTLIER) cc_final: 0.7418 (p90) REVERT: Bf 13 GLU cc_start: 0.8317 (tt0) cc_final: 0.8044 (tp30) REVERT: Bf 70 ARG cc_start: 0.7129 (OUTLIER) cc_final: 0.6716 (mtp180) REVERT: Df 34 ARG cc_start: 0.7995 (OUTLIER) cc_final: 0.7341 (ptt-90) REVERT: Bg 75 LEU cc_start: 0.8875 (OUTLIER) cc_final: 0.8566 (tp) REVERT: Cg 75 LEU cc_start: 0.8952 (OUTLIER) cc_final: 0.8626 (tp) REVERT: Dg 13 GLU cc_start: 0.8610 (OUTLIER) cc_final: 0.8213 (tp30) REVERT: Dg 22 GLU cc_start: 0.7554 (OUTLIER) cc_final: 0.6912 (tm-30) REVERT: Ah 7 GLU cc_start: 0.7922 (OUTLIER) cc_final: 0.7177 (mt-10) REVERT: Ah 30 LYS cc_start: 0.8282 (OUTLIER) cc_final: 0.7941 (pmmt) REVERT: Bh 83 ARG cc_start: 0.8040 (OUTLIER) cc_final: 0.7800 (ptt90) REVERT: Ch 34 ARG cc_start: 0.7842 (ttp-110) cc_final: 0.7495 (ttp-170) REVERT: Dh 22 GLU cc_start: 0.7434 (OUTLIER) cc_final: 0.7022 (tp30) REVERT: Ai 7 GLU cc_start: 0.8010 (OUTLIER) cc_final: 0.7302 (mt-10) REVERT: Ai 22 LYS cc_start: 0.8780 (OUTLIER) cc_final: 0.7543 (mppt) REVERT: Ci 70 ARG cc_start: 0.6158 (OUTLIER) cc_final: 0.5923 (mtt90) REVERT: Di 38 ARG cc_start: 0.8781 (OUTLIER) cc_final: 0.7349 (tmm-80) REVERT: Aj 7 GLU cc_start: 0.7811 (OUTLIER) cc_final: 0.7495 (mm-30) REVERT: Aj 22 LYS cc_start: 0.8874 (mptt) cc_final: 0.8491 (mmtt) REVERT: Dj 22 GLU cc_start: 0.7565 (OUTLIER) cc_final: 0.7073 (tp30) REVERT: Dj 66 ASP cc_start: 0.7198 (OUTLIER) cc_final: 0.6846 (t70) REVERT: Ak 7 GLU cc_start: 0.7842 (OUTLIER) cc_final: 0.7030 (mt-10) REVERT: Ak 28 TRP cc_start: 0.8632 (OUTLIER) cc_final: 0.7320 (p90) REVERT: Bk 13 GLU cc_start: 0.8327 (tt0) cc_final: 0.8076 (tp30) REVERT: Bk 70 ARG cc_start: 0.7119 (OUTLIER) cc_final: 0.6721 (mtp180) REVERT: Dk 34 ARG cc_start: 0.8005 (OUTLIER) cc_final: 0.7355 (ptt-90) REVERT: Al 7 GLU cc_start: 0.7800 (OUTLIER) cc_final: 0.6924 (mt-10) REVERT: Al 30 LYS cc_start: 0.8242 (OUTLIER) cc_final: 0.7719 (pmmt) REVERT: Bl 75 LEU cc_start: 0.8878 (OUTLIER) cc_final: 0.8624 (tp) REVERT: Cl 75 LEU cc_start: 0.8939 (OUTLIER) cc_final: 0.8617 (tp) REVERT: Dl 13 GLU cc_start: 0.8611 (OUTLIER) cc_final: 0.8215 (tp30) REVERT: Dl 22 GLU cc_start: 0.7557 (OUTLIER) cc_final: 0.6914 (tm-30) REVERT: Am 7 GLU cc_start: 0.7921 (OUTLIER) cc_final: 0.7186 (mt-10) REVERT: Bm 13 GLU cc_start: 0.8216 (tt0) cc_final: 0.8006 (tp30) REVERT: Bm 83 ARG cc_start: 0.8012 (OUTLIER) cc_final: 0.7775 (ptt90) REVERT: Cm 34 ARG cc_start: 0.7830 (ttp-110) cc_final: 0.7485 (ttp-170) REVERT: Dm 22 GLU cc_start: 0.7517 (OUTLIER) cc_final: 0.6755 (tm-30) REVERT: An 7 GLU cc_start: 0.8033 (OUTLIER) cc_final: 0.7294 (mt-10) REVERT: An 22 LYS cc_start: 0.8768 (OUTLIER) cc_final: 0.7544 (mppt) REVERT: An 30 LYS cc_start: 0.8158 (OUTLIER) cc_final: 0.7597 (pmmt) REVERT: An 60 GLU cc_start: 0.7619 (tp30) cc_final: 0.7414 (tp30) REVERT: Dn 38 ARG cc_start: 0.8781 (OUTLIER) cc_final: 0.7341 (tmm-80) REVERT: Ao 7 GLU cc_start: 0.7797 (OUTLIER) cc_final: 0.7543 (mm-30) REVERT: Ao 22 LYS cc_start: 0.8878 (mptt) cc_final: 0.8491 (mmtt) REVERT: Co 75 LEU cc_start: 0.8887 (OUTLIER) cc_final: 0.8681 (tp) REVERT: Do 22 GLU cc_start: 0.7557 (OUTLIER) cc_final: 0.7064 (tp30) REVERT: Do 66 ASP cc_start: 0.7206 (OUTLIER) cc_final: 0.6858 (t70) REVERT: Ap 7 GLU cc_start: 0.7873 (OUTLIER) cc_final: 0.7090 (mm-30) REVERT: Ap 28 TRP cc_start: 0.8644 (OUTLIER) cc_final: 0.7256 (p90) REVERT: Bp 13 GLU cc_start: 0.8339 (tt0) cc_final: 0.8054 (tp30) REVERT: Bp 70 ARG cc_start: 0.7117 (OUTLIER) cc_final: 0.6734 (mtp180) REVERT: Cp 34 ARG cc_start: 0.7844 (ttm110) cc_final: 0.7630 (ttm110) REVERT: Aq 7 GLU cc_start: 0.7868 (OUTLIER) cc_final: 0.7075 (mt-10) REVERT: Aq 22 LYS cc_start: 0.8615 (mttt) cc_final: 0.8231 (mttt) REVERT: Bq 75 LEU cc_start: 0.8856 (OUTLIER) cc_final: 0.8536 (tp) REVERT: Cq 75 LEU cc_start: 0.8946 (OUTLIER) cc_final: 0.8636 (tp) REVERT: Dq 22 GLU cc_start: 0.7580 (OUTLIER) cc_final: 0.6900 (tm-30) REVERT: Ar 7 GLU cc_start: 0.7915 (OUTLIER) cc_final: 0.7161 (mt-10) REVERT: Ar 30 LYS cc_start: 0.8271 (OUTLIER) cc_final: 0.7932 (pmmt) REVERT: Br 83 ARG cc_start: 0.8031 (OUTLIER) cc_final: 0.7794 (ptt90) REVERT: Cr 34 ARG cc_start: 0.7819 (ttp-110) cc_final: 0.7491 (ttp-170) REVERT: Dr 22 GLU cc_start: 0.7467 (OUTLIER) cc_final: 0.7056 (tp30) REVERT: As 7 GLU cc_start: 0.8002 (OUTLIER) cc_final: 0.7212 (mt-10) REVERT: As 22 LYS cc_start: 0.8784 (OUTLIER) cc_final: 0.7512 (mppt) REVERT: Cs 70 ARG cc_start: 0.6134 (OUTLIER) cc_final: 0.5896 (mtt90) REVERT: Ds 38 ARG cc_start: 0.8793 (OUTLIER) cc_final: 0.7356 (tmm-80) REVERT: At 7 GLU cc_start: 0.7814 (OUTLIER) cc_final: 0.7560 (mm-30) REVERT: At 22 LYS cc_start: 0.8884 (mptt) cc_final: 0.8500 (mmtt) REVERT: Dt 22 GLU cc_start: 0.7564 (OUTLIER) cc_final: 0.7034 (tp30) REVERT: Dt 66 ASP cc_start: 0.7186 (OUTLIER) cc_final: 0.6837 (t70) REVERT: Av 7 GLU cc_start: 0.7830 (OUTLIER) cc_final: 0.6957 (mt-10) REVERT: Av 28 TRP cc_start: 0.8648 (OUTLIER) cc_final: 0.7425 (p90) REVERT: Bv 13 GLU cc_start: 0.8336 (tt0) cc_final: 0.8090 (tp30) REVERT: Bv 70 ARG cc_start: 0.7115 (OUTLIER) cc_final: 0.6730 (mtp180) REVERT: Dv 34 ARG cc_start: 0.8009 (OUTLIER) cc_final: 0.7368 (ptt-90) REVERT: Bw 75 LEU cc_start: 0.8861 (OUTLIER) cc_final: 0.8591 (tp) REVERT: Cw 75 LEU cc_start: 0.8942 (OUTLIER) cc_final: 0.8619 (tp) REVERT: Dw 13 GLU cc_start: 0.8616 (OUTLIER) cc_final: 0.8207 (tp30) REVERT: Dw 22 GLU cc_start: 0.7572 (OUTLIER) cc_final: 0.6930 (tm-30) REVERT: Ax 7 GLU cc_start: 0.7915 (OUTLIER) cc_final: 0.7163 (mt-10) REVERT: Ax 30 LYS cc_start: 0.8267 (OUTLIER) cc_final: 0.7924 (pmmt) REVERT: Bx 83 ARG cc_start: 0.8015 (OUTLIER) cc_final: 0.7759 (ptt90) REVERT: Cx 34 ARG cc_start: 0.7819 (ttp-110) cc_final: 0.7484 (ttp-170) REVERT: Dx 22 GLU cc_start: 0.7539 (OUTLIER) cc_final: 0.6793 (tm-30) REVERT: Ay 4 MET cc_start: 0.8191 (OUTLIER) cc_final: 0.7574 (mmm) REVERT: Ay 7 GLU cc_start: 0.7977 (OUTLIER) cc_final: 0.7180 (mt-10) REVERT: Ay 22 LYS cc_start: 0.8769 (OUTLIER) cc_final: 0.7504 (mppt) REVERT: Dy 38 ARG cc_start: 0.8789 (OUTLIER) cc_final: 0.7352 (tmm-80) REVERT: Az 7 GLU cc_start: 0.7822 (OUTLIER) cc_final: 0.7067 (mm-30) REVERT: Az 22 LYS cc_start: 0.8884 (mptt) cc_final: 0.8499 (mmtt) REVERT: Dz 22 GLU cc_start: 0.7557 (OUTLIER) cc_final: 0.7052 (tp30) REVERT: Dz 66 ASP cc_start: 0.7185 (OUTLIER) cc_final: 0.6828 (t70) REVERT: A0 7 GLU cc_start: 0.7830 (OUTLIER) cc_final: 0.6971 (mt-10) REVERT: A0 8 LYS cc_start: 0.8544 (OUTLIER) cc_final: 0.8280 (pttm) REVERT: A0 28 TRP cc_start: 0.8637 (OUTLIER) cc_final: 0.7300 (p90) REVERT: B0 13 GLU cc_start: 0.8327 (tt0) cc_final: 0.8051 (tp30) REVERT: B0 70 ARG cc_start: 0.7121 (OUTLIER) cc_final: 0.6717 (mtp-110) REVERT: B1 75 LEU cc_start: 0.8858 (OUTLIER) cc_final: 0.8586 (tp) REVERT: C1 75 LEU cc_start: 0.8936 (OUTLIER) cc_final: 0.8615 (tp) REVERT: D1 22 GLU cc_start: 0.7584 (OUTLIER) cc_final: 0.6906 (tm-30) REVERT: A2 7 GLU cc_start: 0.7943 (OUTLIER) cc_final: 0.7188 (mt-10) REVERT: B2 13 GLU cc_start: 0.8195 (tt0) cc_final: 0.7989 (tp30) REVERT: C2 34 ARG cc_start: 0.7834 (ttp-110) cc_final: 0.7506 (ttp-170) REVERT: D2 22 GLU cc_start: 0.7540 (OUTLIER) cc_final: 0.6802 (tm-30) REVERT: A3 4 MET cc_start: 0.8162 (OUTLIER) cc_final: 0.7634 (mmt) REVERT: A3 7 GLU cc_start: 0.7978 (OUTLIER) cc_final: 0.7181 (mt-10) REVERT: A3 22 LYS cc_start: 0.8783 (OUTLIER) cc_final: 0.7526 (mppt) REVERT: C3 70 ARG cc_start: 0.6137 (OUTLIER) cc_final: 0.5896 (mtt90) REVERT: A4 7 GLU cc_start: 0.7804 (OUTLIER) cc_final: 0.7549 (mm-30) REVERT: A4 22 LYS cc_start: 0.8887 (mptt) cc_final: 0.8501 (mmtt) REVERT: D4 22 GLU cc_start: 0.7563 (OUTLIER) cc_final: 0.7051 (tp30) REVERT: D4 66 ASP cc_start: 0.7194 (OUTLIER) cc_final: 0.6848 (t70) REVERT: A5 7 GLU cc_start: 0.7855 (OUTLIER) cc_final: 0.6999 (mt-10) REVERT: A5 8 LYS cc_start: 0.8490 (OUTLIER) cc_final: 0.8266 (pttm) REVERT: A5 28 TRP cc_start: 0.8638 (OUTLIER) cc_final: 0.7309 (p90) REVERT: B5 13 GLU cc_start: 0.8333 (tt0) cc_final: 0.8070 (tp30) REVERT: B5 70 ARG cc_start: 0.7113 (OUTLIER) cc_final: 0.6730 (mtp180) REVERT: B5 83 ARG cc_start: 0.8057 (ptt90) cc_final: 0.7728 (ptt180) REVERT: B6 75 LEU cc_start: 0.8849 (OUTLIER) cc_final: 0.8576 (tp) REVERT: C6 75 LEU cc_start: 0.8948 (OUTLIER) cc_final: 0.8626 (tp) REVERT: D6 22 GLU cc_start: 0.7587 (OUTLIER) cc_final: 0.6906 (tm-30) REVERT: A7 7 GLU cc_start: 0.7918 (OUTLIER) cc_final: 0.7165 (mt-10) REVERT: A7 30 LYS cc_start: 0.8276 (OUTLIER) cc_final: 0.7944 (pmmt) REVERT: B7 83 ARG cc_start: 0.8009 (OUTLIER) cc_final: 0.7788 (ptt90) REVERT: C7 34 ARG cc_start: 0.7838 (ttp-110) cc_final: 0.7500 (ttp-170) REVERT: D7 22 GLU cc_start: 0.7537 (OUTLIER) cc_final: 0.6797 (tm-30) REVERT: A8 4 MET cc_start: 0.8186 (OUTLIER) cc_final: 0.7577 (mmm) REVERT: A8 7 GLU cc_start: 0.7992 (OUTLIER) cc_final: 0.7271 (mt-10) REVERT: A8 22 LYS cc_start: 0.8776 (OUTLIER) cc_final: 0.7525 (mppt) REVERT: C8 70 ARG cc_start: 0.6129 (OUTLIER) cc_final: 0.5885 (mtt90) REVERT: D8 38 ARG cc_start: 0.8788 (OUTLIER) cc_final: 0.7345 (tmm-80) REVERT: A9 7 GLU cc_start: 0.7835 (OUTLIER) cc_final: 0.7520 (mm-30) REVERT: A9 22 LYS cc_start: 0.8883 (mptt) cc_final: 0.8494 (mmtt) REVERT: D9 22 GLU cc_start: 0.7555 (OUTLIER) cc_final: 0.7047 (tp30) REVERT: D9 66 ASP cc_start: 0.7179 (OUTLIER) cc_final: 0.6824 (t70) outliers start: 679 outliers final: 371 residues processed: 3852 average time/residue: 2.3589 time to fit residues: 12091.7777 Evaluate side-chains 4122 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 597 poor density : 3525 time to evaluate : 10.145 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 7 GLU Chi-restraints excluded: chain AA residue 8 LYS Chi-restraints excluded: chain AA residue 10 LEU Chi-restraints excluded: chain AA residue 28 TRP Chi-restraints excluded: chain BA residue 70 ARG Chi-restraints excluded: chain CA residue 83 ARG Chi-restraints excluded: chain CA residue 88 VAL Chi-restraints excluded: chain DA residue 14 THR Chi-restraints excluded: chain DA residue 27 MET Chi-restraints excluded: chain DA residue 48 VAL Chi-restraints excluded: chain DA residue 69 GLU Chi-restraints excluded: chain AB residue 7 GLU Chi-restraints excluded: chain AB residue 30 LYS Chi-restraints excluded: chain BB residue 75 LEU Chi-restraints excluded: chain CB residue 13 GLU Chi-restraints excluded: chain CB residue 75 LEU Chi-restraints excluded: chain DB residue 22 GLU Chi-restraints excluded: chain DB residue 38 ARG Chi-restraints excluded: chain DB residue 48 VAL Chi-restraints excluded: chain AC residue 7 GLU Chi-restraints excluded: chain AC residue 28 TRP Chi-restraints excluded: chain AC residue 30 LYS Chi-restraints excluded: chain AC residue 35 ARG Chi-restraints excluded: chain BC residue 75 LEU Chi-restraints excluded: chain BC residue 83 ARG Chi-restraints excluded: chain CC residue 84 VAL Chi-restraints excluded: chain DC residue 22 GLU Chi-restraints excluded: chain DC residue 48 VAL Chi-restraints excluded: chain DC residue 66 ASP Chi-restraints excluded: chain AD residue 7 GLU Chi-restraints excluded: chain AD residue 22 LYS Chi-restraints excluded: chain AD residue 28 TRP Chi-restraints excluded: chain BD residue 28 THR Chi-restraints excluded: chain BD residue 75 LEU Chi-restraints excluded: chain BD residue 84 VAL Chi-restraints excluded: chain CD residue 83 ARG Chi-restraints excluded: chain DD residue 38 ARG Chi-restraints excluded: chain DD residue 48 VAL Chi-restraints excluded: chain DD residue 66 ASP Chi-restraints excluded: chain DD residue 86 SER Chi-restraints excluded: chain AE residue 7 GLU Chi-restraints excluded: chain AE residue 30 LYS Chi-restraints excluded: chain AE residue 39 VAL Chi-restraints excluded: chain DE residue 13 GLU Chi-restraints excluded: chain DE residue 22 GLU Chi-restraints excluded: chain DE residue 48 VAL Chi-restraints excluded: chain DE residue 66 ASP Chi-restraints excluded: chain AF residue 7 GLU Chi-restraints excluded: chain AF residue 8 LYS Chi-restraints excluded: chain AF residue 10 LEU Chi-restraints excluded: chain AF residue 28 TRP Chi-restraints excluded: chain BF residue 70 ARG Chi-restraints excluded: chain CF residue 83 ARG Chi-restraints excluded: chain CF residue 88 VAL Chi-restraints excluded: chain DF residue 14 THR Chi-restraints excluded: chain DF residue 27 MET Chi-restraints excluded: chain DF residue 48 VAL Chi-restraints excluded: chain DF residue 69 GLU Chi-restraints excluded: chain AG residue 7 GLU Chi-restraints excluded: chain AG residue 28 TRP Chi-restraints excluded: chain BG residue 75 LEU Chi-restraints excluded: chain CG residue 11 MET Chi-restraints excluded: chain CG residue 13 GLU Chi-restraints excluded: chain CG residue 75 LEU Chi-restraints excluded: chain DG residue 22 GLU Chi-restraints excluded: chain DG residue 38 ARG Chi-restraints excluded: chain DG residue 48 VAL Chi-restraints excluded: chain AH residue 7 GLU Chi-restraints excluded: chain AH residue 28 TRP Chi-restraints excluded: chain AH residue 30 LYS Chi-restraints excluded: chain AH residue 35 ARG Chi-restraints excluded: chain BH residue 75 LEU Chi-restraints excluded: chain BH residue 83 ARG Chi-restraints excluded: chain DH residue 22 GLU Chi-restraints excluded: chain DH residue 38 ARG Chi-restraints excluded: chain DH residue 48 VAL Chi-restraints excluded: chain DH residue 66 ASP Chi-restraints excluded: chain AI residue 7 GLU Chi-restraints excluded: chain AI residue 22 LYS Chi-restraints excluded: chain AI residue 28 TRP Chi-restraints excluded: chain BI residue 28 THR Chi-restraints excluded: chain BI residue 75 LEU Chi-restraints excluded: chain BI residue 84 VAL Chi-restraints excluded: chain CI residue 83 ARG Chi-restraints excluded: chain DI residue 13 GLU Chi-restraints excluded: chain DI residue 38 ARG Chi-restraints excluded: chain DI residue 48 VAL Chi-restraints excluded: chain DI residue 66 ASP Chi-restraints excluded: chain AJ residue 7 GLU Chi-restraints excluded: chain AJ residue 30 LYS Chi-restraints excluded: chain AJ residue 39 VAL Chi-restraints excluded: chain CJ residue 75 LEU Chi-restraints excluded: chain DJ residue 13 GLU Chi-restraints excluded: chain DJ residue 22 GLU Chi-restraints excluded: chain DJ residue 48 VAL Chi-restraints excluded: chain DJ residue 66 ASP Chi-restraints excluded: chain AK residue 7 GLU Chi-restraints excluded: chain AK residue 8 LYS Chi-restraints excluded: chain AK residue 10 LEU Chi-restraints excluded: chain AK residue 28 TRP Chi-restraints excluded: chain BK residue 70 ARG Chi-restraints excluded: chain CK residue 83 ARG Chi-restraints excluded: chain CK residue 88 VAL Chi-restraints excluded: chain DK residue 14 THR Chi-restraints excluded: chain DK residue 27 MET Chi-restraints excluded: chain DK residue 48 VAL Chi-restraints excluded: chain DK residue 69 GLU Chi-restraints excluded: chain AL residue 7 GLU Chi-restraints excluded: chain AL residue 28 TRP Chi-restraints excluded: chain BL residue 75 LEU Chi-restraints excluded: chain CL residue 11 MET Chi-restraints excluded: chain CL residue 13 GLU Chi-restraints excluded: chain CL residue 75 LEU Chi-restraints excluded: chain DL residue 22 GLU Chi-restraints excluded: chain DL residue 48 VAL Chi-restraints excluded: chain AM residue 7 GLU Chi-restraints excluded: chain AM residue 28 TRP Chi-restraints excluded: chain AM residue 30 LYS Chi-restraints excluded: chain BM residue 75 LEU Chi-restraints excluded: chain BM residue 83 ARG Chi-restraints excluded: chain CM residue 83 ARG Chi-restraints excluded: chain DM residue 13 GLU Chi-restraints excluded: chain DM residue 22 GLU Chi-restraints excluded: chain DM residue 38 ARG Chi-restraints excluded: chain DM residue 48 VAL Chi-restraints excluded: chain DM residue 66 ASP Chi-restraints excluded: chain AN residue 4 MET Chi-restraints excluded: chain AN residue 7 GLU Chi-restraints excluded: chain AN residue 22 LYS Chi-restraints excluded: chain AN residue 28 TRP Chi-restraints excluded: chain BN residue 28 THR Chi-restraints excluded: chain BN residue 75 LEU Chi-restraints excluded: chain BN residue 84 VAL Chi-restraints excluded: chain CN residue 70 ARG Chi-restraints excluded: chain DN residue 13 GLU Chi-restraints excluded: chain DN residue 38 ARG Chi-restraints excluded: chain DN residue 48 VAL Chi-restraints excluded: chain DN residue 66 ASP Chi-restraints excluded: chain DN residue 86 SER Chi-restraints excluded: chain AO residue 7 GLU Chi-restraints excluded: chain AO residue 30 LYS Chi-restraints excluded: chain AO residue 39 VAL Chi-restraints excluded: chain CO residue 88 VAL Chi-restraints excluded: chain DO residue 22 GLU Chi-restraints excluded: chain DO residue 48 VAL Chi-restraints excluded: chain DO residue 66 ASP Chi-restraints excluded: chain AP residue 7 GLU Chi-restraints excluded: chain AP residue 8 LYS Chi-restraints excluded: chain AP residue 10 LEU Chi-restraints excluded: chain AP residue 28 TRP Chi-restraints excluded: chain BP residue 70 ARG Chi-restraints excluded: chain CP residue 83 ARG Chi-restraints excluded: chain CP residue 88 VAL Chi-restraints excluded: chain DP residue 14 THR Chi-restraints excluded: chain DP residue 27 MET Chi-restraints excluded: chain DP residue 48 VAL Chi-restraints excluded: chain DP residue 69 GLU Chi-restraints excluded: chain AQ residue 7 GLU Chi-restraints excluded: chain AQ residue 28 TRP Chi-restraints excluded: chain AQ residue 30 LYS Chi-restraints excluded: chain BQ residue 75 LEU Chi-restraints excluded: chain CQ residue 13 GLU Chi-restraints excluded: chain CQ residue 75 LEU Chi-restraints excluded: chain DQ residue 13 GLU Chi-restraints excluded: chain DQ residue 22 GLU Chi-restraints excluded: chain DQ residue 48 VAL Chi-restraints excluded: chain AR residue 7 GLU Chi-restraints excluded: chain AR residue 28 TRP Chi-restraints excluded: chain AR residue 35 ARG Chi-restraints excluded: chain BR residue 75 LEU Chi-restraints excluded: chain BR residue 83 ARG Chi-restraints excluded: chain CR residue 84 VAL Chi-restraints excluded: chain DR residue 22 GLU Chi-restraints excluded: chain DR residue 48 VAL Chi-restraints excluded: chain DR residue 66 ASP Chi-restraints excluded: chain AS residue 7 GLU Chi-restraints excluded: chain AS residue 22 LYS Chi-restraints excluded: chain AS residue 28 TRP Chi-restraints excluded: chain BS residue 28 THR Chi-restraints excluded: chain BS residue 69 GLU Chi-restraints excluded: chain BS residue 75 LEU Chi-restraints excluded: chain BS residue 84 VAL Chi-restraints excluded: chain DS residue 13 GLU Chi-restraints excluded: chain DS residue 38 ARG Chi-restraints excluded: chain DS residue 48 VAL Chi-restraints excluded: chain DS residue 66 ASP Chi-restraints excluded: chain DS residue 86 SER Chi-restraints excluded: chain AT residue 7 GLU Chi-restraints excluded: chain AT residue 30 LYS Chi-restraints excluded: chain AT residue 39 VAL Chi-restraints excluded: chain BT residue 83 ARG Chi-restraints excluded: chain CT residue 88 VAL Chi-restraints excluded: chain DT residue 13 GLU Chi-restraints excluded: chain DT residue 22 GLU Chi-restraints excluded: chain DT residue 48 VAL Chi-restraints excluded: chain DT residue 66 ASP Chi-restraints excluded: chain AV residue 7 GLU Chi-restraints excluded: chain AV residue 10 LEU Chi-restraints excluded: chain AV residue 28 TRP Chi-restraints excluded: chain BV residue 70 ARG Chi-restraints excluded: chain CV residue 83 ARG Chi-restraints excluded: chain CV residue 88 VAL Chi-restraints excluded: chain DV residue 14 THR Chi-restraints excluded: chain DV residue 27 MET Chi-restraints excluded: chain DV residue 48 VAL Chi-restraints excluded: chain DV residue 69 GLU Chi-restraints excluded: chain AW residue 7 GLU Chi-restraints excluded: chain AW residue 28 TRP Chi-restraints excluded: chain BW residue 75 LEU Chi-restraints excluded: chain CW residue 13 GLU Chi-restraints excluded: chain CW residue 75 LEU Chi-restraints excluded: chain DW residue 13 GLU Chi-restraints excluded: chain DW residue 22 GLU Chi-restraints excluded: chain DW residue 48 VAL Chi-restraints excluded: chain AX residue 7 GLU Chi-restraints excluded: chain AX residue 28 TRP Chi-restraints excluded: chain AX residue 30 LYS Chi-restraints excluded: chain AX residue 35 ARG Chi-restraints excluded: chain BX residue 75 LEU Chi-restraints excluded: chain BX residue 83 ARG Chi-restraints excluded: chain CX residue 84 VAL Chi-restraints excluded: chain DX residue 22 GLU Chi-restraints excluded: chain DX residue 48 VAL Chi-restraints excluded: chain DX residue 66 ASP Chi-restraints excluded: chain AY residue 7 GLU Chi-restraints excluded: chain AY residue 22 LYS Chi-restraints excluded: chain AY residue 28 TRP Chi-restraints excluded: chain BY residue 28 THR Chi-restraints excluded: chain BY residue 75 LEU Chi-restraints excluded: chain BY residue 84 VAL Chi-restraints excluded: chain CY residue 70 ARG Chi-restraints excluded: chain DY residue 38 ARG Chi-restraints excluded: chain DY residue 48 VAL Chi-restraints excluded: chain DY residue 66 ASP Chi-restraints excluded: chain DY residue 86 SER Chi-restraints excluded: chain AZ residue 7 GLU Chi-restraints excluded: chain AZ residue 30 LYS Chi-restraints excluded: chain AZ residue 39 VAL Chi-restraints excluded: chain BZ residue 83 ARG Chi-restraints excluded: chain CZ residue 84 VAL Chi-restraints excluded: chain CZ residue 88 VAL Chi-restraints excluded: chain DZ residue 13 GLU Chi-restraints excluded: chain DZ residue 22 GLU Chi-restraints excluded: chain DZ residue 48 VAL Chi-restraints excluded: chain DZ residue 66 ASP Chi-restraints excluded: chain Aa residue 7 GLU Chi-restraints excluded: chain Aa residue 8 LYS Chi-restraints excluded: chain Aa residue 10 LEU Chi-restraints excluded: chain Aa residue 28 TRP Chi-restraints excluded: chain Ba residue 70 ARG Chi-restraints excluded: chain Ca residue 83 ARG Chi-restraints excluded: chain Ca residue 88 VAL Chi-restraints excluded: chain Da residue 14 THR Chi-restraints excluded: chain Da residue 27 MET Chi-restraints excluded: chain Da residue 48 VAL Chi-restraints excluded: chain Da residue 69 GLU Chi-restraints excluded: chain Ab residue 7 GLU Chi-restraints excluded: chain Ab residue 30 LYS Chi-restraints excluded: chain Bb residue 75 LEU Chi-restraints excluded: chain Cb residue 11 MET Chi-restraints excluded: chain Cb residue 13 GLU Chi-restraints excluded: chain Cb residue 75 LEU Chi-restraints excluded: chain Db residue 13 GLU Chi-restraints excluded: chain Db residue 22 GLU Chi-restraints excluded: chain Db residue 38 ARG Chi-restraints excluded: chain Db residue 48 VAL Chi-restraints excluded: chain Ac residue 7 GLU Chi-restraints excluded: chain Ac residue 28 TRP Chi-restraints excluded: chain Ac residue 30 LYS Chi-restraints excluded: chain Ac residue 35 ARG Chi-restraints excluded: chain Bc residue 75 LEU Chi-restraints excluded: chain Bc residue 83 ARG Chi-restraints excluded: chain Cc residue 84 VAL Chi-restraints excluded: chain Dc residue 22 GLU Chi-restraints excluded: chain Dc residue 38 ARG Chi-restraints excluded: chain Dc residue 48 VAL Chi-restraints excluded: chain Dc residue 66 ASP Chi-restraints excluded: chain Ad residue 7 GLU Chi-restraints excluded: chain Ad residue 22 LYS Chi-restraints excluded: chain Ad residue 28 TRP Chi-restraints excluded: chain Bd residue 28 THR Chi-restraints excluded: chain Bd residue 75 LEU Chi-restraints excluded: chain Bd residue 84 VAL Chi-restraints excluded: chain Cd residue 83 ARG Chi-restraints excluded: chain Dd residue 13 GLU Chi-restraints excluded: chain Dd residue 38 ARG Chi-restraints excluded: chain Dd residue 48 VAL Chi-restraints excluded: chain Dd residue 66 ASP Chi-restraints excluded: chain Dd residue 86 SER Chi-restraints excluded: chain Ae residue 7 GLU Chi-restraints excluded: chain Ae residue 30 LYS Chi-restraints excluded: chain Ae residue 39 VAL Chi-restraints excluded: chain Ce residue 75 LEU Chi-restraints excluded: chain Ce residue 84 VAL Chi-restraints excluded: chain Ce residue 88 VAL Chi-restraints excluded: chain De residue 13 GLU Chi-restraints excluded: chain De residue 22 GLU Chi-restraints excluded: chain De residue 48 VAL Chi-restraints excluded: chain De residue 66 ASP Chi-restraints excluded: chain Af residue 7 GLU Chi-restraints excluded: chain Af residue 10 LEU Chi-restraints excluded: chain Af residue 28 TRP Chi-restraints excluded: chain Bf residue 70 ARG Chi-restraints excluded: chain Cf residue 83 ARG Chi-restraints excluded: chain Cf residue 88 VAL Chi-restraints excluded: chain Df residue 27 MET Chi-restraints excluded: chain Df residue 34 ARG Chi-restraints excluded: chain Df residue 48 VAL Chi-restraints excluded: chain Df residue 69 GLU Chi-restraints excluded: chain Ag residue 7 GLU Chi-restraints excluded: chain Ag residue 28 TRP Chi-restraints excluded: chain Bg residue 75 LEU Chi-restraints excluded: chain Cg residue 11 MET Chi-restraints excluded: chain Cg residue 13 GLU Chi-restraints excluded: chain Cg residue 75 LEU Chi-restraints excluded: chain Dg residue 13 GLU Chi-restraints excluded: chain Dg residue 22 GLU Chi-restraints excluded: chain Dg residue 48 VAL Chi-restraints excluded: chain Ah residue 7 GLU Chi-restraints excluded: chain Ah residue 28 TRP Chi-restraints excluded: chain Ah residue 30 LYS Chi-restraints excluded: chain Ah residue 35 ARG Chi-restraints excluded: chain Bh residue 75 LEU Chi-restraints excluded: chain Bh residue 83 ARG Chi-restraints excluded: chain Dh residue 22 GLU Chi-restraints excluded: chain Dh residue 48 VAL Chi-restraints excluded: chain Dh residue 66 ASP Chi-restraints excluded: chain Ai residue 7 GLU Chi-restraints excluded: chain Ai residue 22 LYS Chi-restraints excluded: chain Ai residue 28 TRP Chi-restraints excluded: chain Bi residue 28 THR Chi-restraints excluded: chain Bi residue 75 LEU Chi-restraints excluded: chain Bi residue 83 ARG Chi-restraints excluded: chain Bi residue 84 VAL Chi-restraints excluded: chain Ci residue 70 ARG Chi-restraints excluded: chain Di residue 13 GLU Chi-restraints excluded: chain Di residue 38 ARG Chi-restraints excluded: chain Di residue 48 VAL Chi-restraints excluded: chain Di residue 66 ASP Chi-restraints excluded: chain Di residue 86 SER Chi-restraints excluded: chain Aj residue 7 GLU Chi-restraints excluded: chain Aj residue 30 LYS Chi-restraints excluded: chain Aj residue 39 VAL Chi-restraints excluded: chain Bj residue 83 ARG Chi-restraints excluded: chain Cj residue 69 GLU Chi-restraints excluded: chain Cj residue 70 ARG Chi-restraints excluded: chain Cj residue 88 VAL Chi-restraints excluded: chain Dj residue 13 GLU Chi-restraints excluded: chain Dj residue 22 GLU Chi-restraints excluded: chain Dj residue 48 VAL Chi-restraints excluded: chain Dj residue 66 ASP Chi-restraints excluded: chain Ak residue 2 LYS Chi-restraints excluded: chain Ak residue 7 GLU Chi-restraints excluded: chain Ak residue 10 LEU Chi-restraints excluded: chain Ak residue 28 TRP Chi-restraints excluded: chain Bk residue 70 ARG Chi-restraints excluded: chain Ck residue 83 ARG Chi-restraints excluded: chain Ck residue 88 VAL Chi-restraints excluded: chain Dk residue 27 MET Chi-restraints excluded: chain Dk residue 34 ARG Chi-restraints excluded: chain Dk residue 48 VAL Chi-restraints excluded: chain Dk residue 69 GLU Chi-restraints excluded: chain Al residue 7 GLU Chi-restraints excluded: chain Al residue 30 LYS Chi-restraints excluded: chain Bl residue 75 LEU Chi-restraints excluded: chain Cl residue 13 GLU Chi-restraints excluded: chain Cl residue 75 LEU Chi-restraints excluded: chain Dl residue 13 GLU Chi-restraints excluded: chain Dl residue 22 GLU Chi-restraints excluded: chain Dl residue 48 VAL Chi-restraints excluded: chain Am residue 7 GLU Chi-restraints excluded: chain Am residue 28 TRP Chi-restraints excluded: chain Am residue 35 ARG Chi-restraints excluded: chain Bm residue 75 LEU Chi-restraints excluded: chain Bm residue 83 ARG Chi-restraints excluded: chain Cm residue 84 VAL Chi-restraints excluded: chain Dm residue 22 GLU Chi-restraints excluded: chain Dm residue 48 VAL Chi-restraints excluded: chain Dm residue 66 ASP Chi-restraints excluded: chain An residue 7 GLU Chi-restraints excluded: chain An residue 22 LYS Chi-restraints excluded: chain An residue 28 TRP Chi-restraints excluded: chain An residue 30 LYS Chi-restraints excluded: chain Bn residue 28 THR Chi-restraints excluded: chain Bn residue 75 LEU Chi-restraints excluded: chain Bn residue 84 VAL Chi-restraints excluded: chain Cn residue 83 ARG Chi-restraints excluded: chain Dn residue 13 GLU Chi-restraints excluded: chain Dn residue 38 ARG Chi-restraints excluded: chain Dn residue 48 VAL Chi-restraints excluded: chain Dn residue 66 ASP Chi-restraints excluded: chain Dn residue 86 SER Chi-restraints excluded: chain Ao residue 7 GLU Chi-restraints excluded: chain Ao residue 30 LYS Chi-restraints excluded: chain Ao residue 39 VAL Chi-restraints excluded: chain Co residue 75 LEU Chi-restraints excluded: chain Co residue 84 VAL Chi-restraints excluded: chain Co residue 88 VAL Chi-restraints excluded: chain Do residue 22 GLU Chi-restraints excluded: chain Do residue 48 VAL Chi-restraints excluded: chain Do residue 66 ASP Chi-restraints excluded: chain Ap residue 2 LYS Chi-restraints excluded: chain Ap residue 7 GLU Chi-restraints excluded: chain Ap residue 10 LEU Chi-restraints excluded: chain Ap residue 28 TRP Chi-restraints excluded: chain Bp residue 70 ARG Chi-restraints excluded: chain Cp residue 83 ARG Chi-restraints excluded: chain Cp residue 88 VAL Chi-restraints excluded: chain Dp residue 14 THR Chi-restraints excluded: chain Dp residue 27 MET Chi-restraints excluded: chain Dp residue 48 VAL Chi-restraints excluded: chain Dp residue 69 GLU Chi-restraints excluded: chain Aq residue 7 GLU Chi-restraints excluded: chain Bq residue 75 LEU Chi-restraints excluded: chain Cq residue 13 GLU Chi-restraints excluded: chain Cq residue 75 LEU Chi-restraints excluded: chain Dq residue 22 GLU Chi-restraints excluded: chain Dq residue 48 VAL Chi-restraints excluded: chain Ar residue 7 GLU Chi-restraints excluded: chain Ar residue 28 TRP Chi-restraints excluded: chain Ar residue 30 LYS Chi-restraints excluded: chain Ar residue 35 ARG Chi-restraints excluded: chain Br residue 75 LEU Chi-restraints excluded: chain Br residue 83 ARG Chi-restraints excluded: chain Dr residue 22 GLU Chi-restraints excluded: chain Dr residue 38 ARG Chi-restraints excluded: chain Dr residue 48 VAL Chi-restraints excluded: chain Dr residue 66 ASP Chi-restraints excluded: chain As residue 7 GLU Chi-restraints excluded: chain As residue 22 LYS Chi-restraints excluded: chain As residue 28 TRP Chi-restraints excluded: chain Bs residue 28 THR Chi-restraints excluded: chain Bs residue 75 LEU Chi-restraints excluded: chain Bs residue 84 VAL Chi-restraints excluded: chain Cs residue 70 ARG Chi-restraints excluded: chain Cs residue 83 ARG Chi-restraints excluded: chain Ds residue 13 GLU Chi-restraints excluded: chain Ds residue 38 ARG Chi-restraints excluded: chain Ds residue 48 VAL Chi-restraints excluded: chain Ds residue 66 ASP Chi-restraints excluded: chain Ds residue 86 SER Chi-restraints excluded: chain At residue 7 GLU Chi-restraints excluded: chain At residue 30 LYS Chi-restraints excluded: chain At residue 39 VAL Chi-restraints excluded: chain Ct residue 84 VAL Chi-restraints excluded: chain Ct residue 88 VAL Chi-restraints excluded: chain Dt residue 13 GLU Chi-restraints excluded: chain Dt residue 22 GLU Chi-restraints excluded: chain Dt residue 48 VAL Chi-restraints excluded: chain Dt residue 66 ASP Chi-restraints excluded: chain Av residue 2 LYS Chi-restraints excluded: chain Av residue 7 GLU Chi-restraints excluded: chain Av residue 28 TRP Chi-restraints excluded: chain Bv residue 70 ARG Chi-restraints excluded: chain Cv residue 83 ARG Chi-restraints excluded: chain Cv residue 88 VAL Chi-restraints excluded: chain Dv residue 14 THR Chi-restraints excluded: chain Dv residue 27 MET Chi-restraints excluded: chain Dv residue 34 ARG Chi-restraints excluded: chain Dv residue 48 VAL Chi-restraints excluded: chain Dv residue 69 GLU Chi-restraints excluded: chain Aw residue 7 GLU Chi-restraints excluded: chain Aw residue 28 TRP Chi-restraints excluded: chain Bw residue 75 LEU Chi-restraints excluded: chain Cw residue 11 MET Chi-restraints excluded: chain Cw residue 13 GLU Chi-restraints excluded: chain Cw residue 75 LEU Chi-restraints excluded: chain Dw residue 13 GLU Chi-restraints excluded: chain Dw residue 22 GLU Chi-restraints excluded: chain Dw residue 38 ARG Chi-restraints excluded: chain Dw residue 48 VAL Chi-restraints excluded: chain Ax residue 7 GLU Chi-restraints excluded: chain Ax residue 28 TRP Chi-restraints excluded: chain Ax residue 30 LYS Chi-restraints excluded: chain Ax residue 35 ARG Chi-restraints excluded: chain Bx residue 75 LEU Chi-restraints excluded: chain Bx residue 83 ARG Chi-restraints excluded: chain Cx residue 84 VAL Chi-restraints excluded: chain Dx residue 22 GLU Chi-restraints excluded: chain Dx residue 38 ARG Chi-restraints excluded: chain Dx residue 48 VAL Chi-restraints excluded: chain Dx residue 66 ASP Chi-restraints excluded: chain Ay residue 4 MET Chi-restraints excluded: chain Ay residue 7 GLU Chi-restraints excluded: chain Ay residue 22 LYS Chi-restraints excluded: chain Ay residue 28 TRP Chi-restraints excluded: chain By residue 28 THR Chi-restraints excluded: chain By residue 75 LEU Chi-restraints excluded: chain By residue 84 VAL Chi-restraints excluded: chain Dy residue 38 ARG Chi-restraints excluded: chain Dy residue 48 VAL Chi-restraints excluded: chain Dy residue 66 ASP Chi-restraints excluded: chain Dy residue 86 SER Chi-restraints excluded: chain Az residue 7 GLU Chi-restraints excluded: chain Az residue 30 LYS Chi-restraints excluded: chain Cz residue 84 VAL Chi-restraints excluded: chain Cz residue 88 VAL Chi-restraints excluded: chain Dz residue 13 GLU Chi-restraints excluded: chain Dz residue 22 GLU Chi-restraints excluded: chain Dz residue 48 VAL Chi-restraints excluded: chain Dz residue 66 ASP Chi-restraints excluded: chain A0 residue 7 GLU Chi-restraints excluded: chain A0 residue 8 LYS Chi-restraints excluded: chain A0 residue 10 LEU Chi-restraints excluded: chain A0 residue 28 TRP Chi-restraints excluded: chain B0 residue 70 ARG Chi-restraints excluded: chain C0 residue 83 ARG Chi-restraints excluded: chain C0 residue 88 VAL Chi-restraints excluded: chain D0 residue 27 MET Chi-restraints excluded: chain D0 residue 48 VAL Chi-restraints excluded: chain D0 residue 69 GLU Chi-restraints excluded: chain A1 residue 7 GLU Chi-restraints excluded: chain A1 residue 28 TRP Chi-restraints excluded: chain B1 residue 75 LEU Chi-restraints excluded: chain C1 residue 11 MET Chi-restraints excluded: chain C1 residue 13 GLU Chi-restraints excluded: chain C1 residue 75 LEU Chi-restraints excluded: chain D1 residue 22 GLU Chi-restraints excluded: chain D1 residue 48 VAL Chi-restraints excluded: chain A2 residue 7 GLU Chi-restraints excluded: chain A2 residue 28 TRP Chi-restraints excluded: chain A2 residue 35 ARG Chi-restraints excluded: chain B2 residue 75 LEU Chi-restraints excluded: chain B2 residue 83 ARG Chi-restraints excluded: chain C2 residue 84 VAL Chi-restraints excluded: chain D2 residue 22 GLU Chi-restraints excluded: chain D2 residue 38 ARG Chi-restraints excluded: chain D2 residue 48 VAL Chi-restraints excluded: chain D2 residue 66 ASP Chi-restraints excluded: chain A3 residue 4 MET Chi-restraints excluded: chain A3 residue 7 GLU Chi-restraints excluded: chain A3 residue 22 LYS Chi-restraints excluded: chain A3 residue 28 TRP Chi-restraints excluded: chain B3 residue 28 THR Chi-restraints excluded: chain B3 residue 75 LEU Chi-restraints excluded: chain B3 residue 84 VAL Chi-restraints excluded: chain C3 residue 70 ARG Chi-restraints excluded: chain D3 residue 48 VAL Chi-restraints excluded: chain D3 residue 66 ASP Chi-restraints excluded: chain D3 residue 86 SER Chi-restraints excluded: chain A4 residue 7 GLU Chi-restraints excluded: chain A4 residue 30 LYS Chi-restraints excluded: chain A4 residue 39 VAL Chi-restraints excluded: chain B4 residue 83 ARG Chi-restraints excluded: chain C4 residue 69 GLU Chi-restraints excluded: chain C4 residue 84 VAL Chi-restraints excluded: chain C4 residue 88 VAL Chi-restraints excluded: chain D4 residue 22 GLU Chi-restraints excluded: chain D4 residue 48 VAL Chi-restraints excluded: chain D4 residue 66 ASP Chi-restraints excluded: chain A5 residue 7 GLU Chi-restraints excluded: chain A5 residue 8 LYS Chi-restraints excluded: chain A5 residue 10 LEU Chi-restraints excluded: chain A5 residue 28 TRP Chi-restraints excluded: chain B5 residue 70 ARG Chi-restraints excluded: chain C5 residue 83 ARG Chi-restraints excluded: chain C5 residue 88 VAL Chi-restraints excluded: chain D5 residue 27 MET Chi-restraints excluded: chain D5 residue 48 VAL Chi-restraints excluded: chain D5 residue 69 GLU Chi-restraints excluded: chain A6 residue 7 GLU Chi-restraints excluded: chain A6 residue 28 TRP Chi-restraints excluded: chain B6 residue 75 LEU Chi-restraints excluded: chain C6 residue 11 MET Chi-restraints excluded: chain C6 residue 13 GLU Chi-restraints excluded: chain C6 residue 75 LEU Chi-restraints excluded: chain D6 residue 22 GLU Chi-restraints excluded: chain D6 residue 48 VAL Chi-restraints excluded: chain A7 residue 7 GLU Chi-restraints excluded: chain A7 residue 28 TRP Chi-restraints excluded: chain A7 residue 30 LYS Chi-restraints excluded: chain A7 residue 35 ARG Chi-restraints excluded: chain B7 residue 75 LEU Chi-restraints excluded: chain B7 residue 83 ARG Chi-restraints excluded: chain C7 residue 84 VAL Chi-restraints excluded: chain D7 residue 22 GLU Chi-restraints excluded: chain D7 residue 48 VAL Chi-restraints excluded: chain D7 residue 66 ASP Chi-restraints excluded: chain A8 residue 4 MET Chi-restraints excluded: chain A8 residue 7 GLU Chi-restraints excluded: chain A8 residue 22 LYS Chi-restraints excluded: chain A8 residue 28 TRP Chi-restraints excluded: chain B8 residue 28 THR Chi-restraints excluded: chain B8 residue 75 LEU Chi-restraints excluded: chain B8 residue 84 VAL Chi-restraints excluded: chain C8 residue 70 ARG Chi-restraints excluded: chain D8 residue 38 ARG Chi-restraints excluded: chain D8 residue 48 VAL Chi-restraints excluded: chain D8 residue 66 ASP Chi-restraints excluded: chain D8 residue 86 SER Chi-restraints excluded: chain A9 residue 7 GLU Chi-restraints excluded: chain A9 residue 30 LYS Chi-restraints excluded: chain A9 residue 39 VAL Chi-restraints excluded: chain D9 residue 13 GLU Chi-restraints excluded: chain D9 residue 22 GLU Chi-restraints excluded: chain D9 residue 48 VAL Chi-restraints excluded: chain D9 residue 66 ASP Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1132 optimal weight: 8.9990 chunk 1823 optimal weight: 9.9990 chunk 1113 optimal weight: 9.9990 chunk 865 optimal weight: 6.9990 chunk 1267 optimal weight: 20.0000 chunk 1912 optimal weight: 9.9990 chunk 1760 optimal weight: 20.0000 chunk 1523 optimal weight: 5.9990 chunk 158 optimal weight: 20.0000 chunk 1176 optimal weight: 2.9990 chunk 933 optimal weight: 0.9990 overall best weight: 5.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: CD 58 ASN DM 39 GLN CN 58 ASN CY 58 ASN Dc 39 GLN Cd 58 ASN Ci 58 ASN Cn 58 ASN Dr 39 GLN Cs 58 ASN Cy 58 ASN C3 58 ASN C8 58 ASN Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8390 moved from start: 0.1670 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.032 151920 Z= 0.247 Angle : 0.616 9.368 205800 Z= 0.323 Chirality : 0.044 0.135 24900 Planarity : 0.004 0.032 26760 Dihedral : 4.824 21.440 22260 Min Nonbonded Distance : 2.132 Molprobity Statistics. All-atom Clashscore : 5.61 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.02 % Favored : 97.98 % Rotamer: Outliers : 4.33 % Allowed : 24.21 % Favored : 71.45 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.68 (0.06), residues: 20340 helix: 1.33 (0.07), residues: 6060 sheet: 0.82 (0.07), residues: 6180 loop : -0.45 (0.07), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.048 0.003 TRPAg 28 HIS 0.004 0.001 HISBh 79 PHE 0.007 0.001 PHEDO 40 TYR 0.007 0.001 TYRCG 45 ARG 0.005 0.000 ARGCi 62 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 40680 Ramachandran restraints generated. 20340 Oldfield, 0 Emsley, 20340 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4170 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 645 poor density : 3525 time to evaluate : 10.636 Fit side-chains REVERT: AA 7 GLU cc_start: 0.7846 (OUTLIER) cc_final: 0.7038 (mt-10) REVERT: AA 8 LYS cc_start: 0.8478 (OUTLIER) cc_final: 0.8239 (pttm) REVERT: AA 28 TRP cc_start: 0.8646 (OUTLIER) cc_final: 0.7380 (p90) REVERT: BA 13 GLU cc_start: 0.8348 (tt0) cc_final: 0.8085 (tp30) REVERT: BA 70 ARG cc_start: 0.7103 (OUTLIER) cc_final: 0.6705 (mtp180) REVERT: CA 34 ARG cc_start: 0.7693 (ttm110) cc_final: 0.7466 (ttp-170) REVERT: AB 7 GLU cc_start: 0.7829 (OUTLIER) cc_final: 0.7042 (mt-10) REVERT: AB 30 LYS cc_start: 0.8116 (OUTLIER) cc_final: 0.7822 (pmmt) REVERT: BB 75 LEU cc_start: 0.8831 (OUTLIER) cc_final: 0.8548 (tp) REVERT: CB 75 LEU cc_start: 0.8923 (OUTLIER) cc_final: 0.8591 (tp) REVERT: DB 22 GLU cc_start: 0.7590 (OUTLIER) cc_final: 0.6911 (tm-30) REVERT: AC 7 GLU cc_start: 0.7914 (OUTLIER) cc_final: 0.7160 (mt-10) REVERT: AC 30 LYS cc_start: 0.8261 (OUTLIER) cc_final: 0.7931 (pmmt) REVERT: BC 83 ARG cc_start: 0.7945 (OUTLIER) cc_final: 0.7690 (ptt90) REVERT: CC 34 ARG cc_start: 0.7834 (ttp-110) cc_final: 0.7503 (ttp-170) REVERT: AD 7 GLU cc_start: 0.7974 (OUTLIER) cc_final: 0.7201 (mt-10) REVERT: AD 22 LYS cc_start: 0.8802 (OUTLIER) cc_final: 0.7524 (mppt) REVERT: DD 38 ARG cc_start: 0.8779 (OUTLIER) cc_final: 0.7348 (tmm-80) REVERT: AE 7 GLU cc_start: 0.7803 (OUTLIER) cc_final: 0.7519 (mm-30) REVERT: AE 22 LYS cc_start: 0.8907 (mptt) cc_final: 0.8531 (mmtt) REVERT: DE 22 GLU cc_start: 0.7517 (OUTLIER) cc_final: 0.7018 (tp30) REVERT: DE 66 ASP cc_start: 0.7160 (OUTLIER) cc_final: 0.6900 (t70) REVERT: AF 7 GLU cc_start: 0.7931 (OUTLIER) cc_final: 0.7134 (mm-30) REVERT: AF 8 LYS cc_start: 0.8496 (OUTLIER) cc_final: 0.8271 (pttm) REVERT: AF 28 TRP cc_start: 0.8643 (OUTLIER) cc_final: 0.7369 (p90) REVERT: BF 13 GLU cc_start: 0.8333 (tt0) cc_final: 0.8062 (tp30) REVERT: BF 70 ARG cc_start: 0.7111 (OUTLIER) cc_final: 0.6700 (mtp-110) REVERT: BF 83 ARG cc_start: 0.8033 (ptt90) cc_final: 0.7683 (ptt180) REVERT: CF 34 ARG cc_start: 0.7699 (ttm110) cc_final: 0.7472 (ttp-170) REVERT: AG 7 GLU cc_start: 0.7846 (OUTLIER) cc_final: 0.6876 (mt-10) REVERT: BG 75 LEU cc_start: 0.8877 (OUTLIER) cc_final: 0.8616 (tp) REVERT: CG 75 LEU cc_start: 0.8922 (OUTLIER) cc_final: 0.8588 (tp) REVERT: DG 22 GLU cc_start: 0.7496 (OUTLIER) cc_final: 0.6824 (tm-30) REVERT: AH 7 GLU cc_start: 0.7903 (OUTLIER) cc_final: 0.7124 (mt-10) REVERT: AH 30 LYS cc_start: 0.8267 (OUTLIER) cc_final: 0.7934 (pmmt) REVERT: CH 34 ARG cc_start: 0.7832 (ttp-110) cc_final: 0.7497 (ttp-170) REVERT: DH 22 GLU cc_start: 0.7491 (OUTLIER) cc_final: 0.6756 (tm-30) REVERT: AI 7 GLU cc_start: 0.7951 (OUTLIER) cc_final: 0.7217 (mt-10) REVERT: AI 22 LYS cc_start: 0.8800 (OUTLIER) cc_final: 0.7528 (mppt) REVERT: DI 38 ARG cc_start: 0.8763 (OUTLIER) cc_final: 0.7328 (tmm-80) REVERT: AJ 7 GLU cc_start: 0.7809 (OUTLIER) cc_final: 0.7528 (mm-30) REVERT: AJ 22 LYS cc_start: 0.8896 (mptt) cc_final: 0.8519 (mmtt) REVERT: DJ 22 GLU cc_start: 0.7515 (OUTLIER) cc_final: 0.7013 (tp30) REVERT: DJ 66 ASP cc_start: 0.7168 (OUTLIER) cc_final: 0.6921 (t70) REVERT: AK 7 GLU cc_start: 0.7856 (OUTLIER) cc_final: 0.7074 (mm-30) REVERT: AK 8 LYS cc_start: 0.8484 (OUTLIER) cc_final: 0.8242 (pttm) REVERT: AK 28 TRP cc_start: 0.8637 (OUTLIER) cc_final: 0.7315 (p90) REVERT: BK 13 GLU cc_start: 0.8330 (tt0) cc_final: 0.8058 (tp30) REVERT: BK 70 ARG cc_start: 0.7116 (OUTLIER) cc_final: 0.6705 (mtp-110) REVERT: BK 83 ARG cc_start: 0.8030 (ptt90) cc_final: 0.7681 (ptt180) REVERT: CK 34 ARG cc_start: 0.7795 (ttm110) cc_final: 0.7593 (ttm110) REVERT: BL 75 LEU cc_start: 0.8846 (OUTLIER) cc_final: 0.8598 (tp) REVERT: CL 75 LEU cc_start: 0.8924 (OUTLIER) cc_final: 0.8630 (tp) REVERT: DL 22 GLU cc_start: 0.7499 (OUTLIER) cc_final: 0.6826 (tm-30) REVERT: AM 7 GLU cc_start: 0.7985 (OUTLIER) cc_final: 0.7243 (mt-10) REVERT: AM 30 LYS cc_start: 0.8295 (OUTLIER) cc_final: 0.8013 (pmmt) REVERT: BM 83 ARG cc_start: 0.7961 (OUTLIER) cc_final: 0.7703 (ptt90) REVERT: CM 34 ARG cc_start: 0.7829 (ttp-110) cc_final: 0.7495 (ttp-170) REVERT: AN 4 MET cc_start: 0.8138 (OUTLIER) cc_final: 0.7468 (mmm) REVERT: AN 7 GLU cc_start: 0.7990 (OUTLIER) cc_final: 0.7254 (mt-10) REVERT: AN 22 LYS cc_start: 0.8787 (OUTLIER) cc_final: 0.7523 (mppt) REVERT: CN 70 ARG cc_start: 0.6102 (OUTLIER) cc_final: 0.5872 (mtt90) REVERT: DN 38 ARG cc_start: 0.8782 (OUTLIER) cc_final: 0.7341 (tmm-80) REVERT: AO 7 GLU cc_start: 0.7800 (OUTLIER) cc_final: 0.7521 (mm-30) REVERT: AO 22 LYS cc_start: 0.8897 (mptt) cc_final: 0.8522 (mmtt) REVERT: DO 22 GLU cc_start: 0.7521 (OUTLIER) cc_final: 0.7008 (tp30) REVERT: DO 66 ASP cc_start: 0.7220 (OUTLIER) cc_final: 0.6991 (t70) REVERT: AP 7 GLU cc_start: 0.7897 (OUTLIER) cc_final: 0.7098 (mt-10) REVERT: AP 8 LYS cc_start: 0.8556 (OUTLIER) cc_final: 0.8295 (pttm) REVERT: AP 28 TRP cc_start: 0.8626 (OUTLIER) cc_final: 0.7345 (p90) REVERT: BP 13 GLU cc_start: 0.8346 (tt0) cc_final: 0.8096 (tp30) REVERT: BP 70 ARG cc_start: 0.7106 (OUTLIER) cc_final: 0.6705 (mtp180) REVERT: AQ 30 LYS cc_start: 0.8189 (OUTLIER) cc_final: 0.7882 (pmmt) REVERT: BQ 75 LEU cc_start: 0.8847 (OUTLIER) cc_final: 0.8591 (tp) REVERT: CQ 75 LEU cc_start: 0.8921 (OUTLIER) cc_final: 0.8614 (tp) REVERT: DQ 13 GLU cc_start: 0.8603 (OUTLIER) cc_final: 0.8206 (tp30) REVERT: DQ 22 GLU cc_start: 0.7556 (OUTLIER) cc_final: 0.6923 (tm-30) REVERT: AR 7 GLU cc_start: 0.7942 (OUTLIER) cc_final: 0.7172 (mt-10) REVERT: BR 83 ARG cc_start: 0.7942 (OUTLIER) cc_final: 0.7735 (ptt90) REVERT: CR 34 ARG cc_start: 0.7836 (ttp-110) cc_final: 0.7508 (ttp-170) REVERT: DR 22 GLU cc_start: 0.7494 (OUTLIER) cc_final: 0.6754 (tm-30) REVERT: AS 7 GLU cc_start: 0.7999 (OUTLIER) cc_final: 0.7234 (mt-10) REVERT: AS 22 LYS cc_start: 0.8816 (OUTLIER) cc_final: 0.7537 (mppt) REVERT: DS 38 ARG cc_start: 0.8777 (OUTLIER) cc_final: 0.7339 (tmm-80) REVERT: AT 7 GLU cc_start: 0.7806 (OUTLIER) cc_final: 0.7526 (mm-30) REVERT: AT 22 LYS cc_start: 0.8902 (mptt) cc_final: 0.8525 (mmtt) REVERT: DT 22 GLU cc_start: 0.7515 (OUTLIER) cc_final: 0.7012 (tp30) REVERT: DT 66 ASP cc_start: 0.7167 (OUTLIER) cc_final: 0.6906 (t70) REVERT: AV 7 GLU cc_start: 0.7920 (OUTLIER) cc_final: 0.7089 (mm-30) REVERT: AV 28 TRP cc_start: 0.8645 (OUTLIER) cc_final: 0.7373 (p90) REVERT: BV 13 GLU cc_start: 0.8315 (tt0) cc_final: 0.8078 (tp30) REVERT: BV 70 ARG cc_start: 0.7110 (OUTLIER) cc_final: 0.6708 (mtp180) REVERT: BW 75 LEU cc_start: 0.8839 (OUTLIER) cc_final: 0.8568 (tp) REVERT: CW 75 LEU cc_start: 0.8945 (OUTLIER) cc_final: 0.8624 (tp) REVERT: DW 13 GLU cc_start: 0.8611 (OUTLIER) cc_final: 0.8203 (tp30) REVERT: DW 22 GLU cc_start: 0.7538 (OUTLIER) cc_final: 0.6891 (tm-30) REVERT: AX 7 GLU cc_start: 0.7911 (OUTLIER) cc_final: 0.7176 (mt-10) REVERT: AX 30 LYS cc_start: 0.8273 (OUTLIER) cc_final: 0.7959 (pmmt) REVERT: BX 83 ARG cc_start: 0.7996 (OUTLIER) cc_final: 0.7745 (ptt90) REVERT: CX 34 ARG cc_start: 0.7858 (ttp-110) cc_final: 0.7520 (ttp-170) REVERT: AY 7 GLU cc_start: 0.8010 (OUTLIER) cc_final: 0.7295 (mt-10) REVERT: AY 22 LYS cc_start: 0.8769 (OUTLIER) cc_final: 0.7535 (mppt) REVERT: CY 70 ARG cc_start: 0.6132 (OUTLIER) cc_final: 0.5894 (mtt90) REVERT: DY 38 ARG cc_start: 0.8776 (OUTLIER) cc_final: 0.7349 (tmm-80) REVERT: AZ 7 GLU cc_start: 0.7781 (OUTLIER) cc_final: 0.7532 (mm-30) REVERT: AZ 22 LYS cc_start: 0.8896 (mptt) cc_final: 0.8516 (mmtt) REVERT: BZ 51 ARG cc_start: 0.8478 (mtp180) cc_final: 0.8272 (mtp180) REVERT: DZ 22 GLU cc_start: 0.7528 (OUTLIER) cc_final: 0.7038 (tp30) REVERT: DZ 66 ASP cc_start: 0.7164 (OUTLIER) cc_final: 0.6891 (t70) REVERT: Aa 7 GLU cc_start: 0.7814 (OUTLIER) cc_final: 0.6995 (mt-10) REVERT: Aa 8 LYS cc_start: 0.8467 (OUTLIER) cc_final: 0.8233 (pttm) REVERT: Aa 28 TRP cc_start: 0.8637 (OUTLIER) cc_final: 0.7381 (p90) REVERT: Ba 13 GLU cc_start: 0.8328 (tt0) cc_final: 0.8047 (tp30) REVERT: Ba 70 ARG cc_start: 0.7111 (OUTLIER) cc_final: 0.6707 (mtp-110) REVERT: Ca 34 ARG cc_start: 0.7711 (ttm110) cc_final: 0.7474 (ttp-170) REVERT: Ab 1 MET cc_start: 0.8693 (mpp) cc_final: 0.8446 (mpt) REVERT: Ab 7 GLU cc_start: 0.7761 (OUTLIER) cc_final: 0.6985 (mt-10) REVERT: Ab 22 LYS cc_start: 0.8583 (mttp) cc_final: 0.8297 (mttt) REVERT: Ab 30 LYS cc_start: 0.8126 (OUTLIER) cc_final: 0.7801 (pmmt) REVERT: Bb 75 LEU cc_start: 0.8874 (OUTLIER) cc_final: 0.8631 (tp) REVERT: Cb 75 LEU cc_start: 0.8948 (OUTLIER) cc_final: 0.8643 (tp) REVERT: Db 13 GLU cc_start: 0.8609 (OUTLIER) cc_final: 0.8210 (tp30) REVERT: Db 22 GLU cc_start: 0.7544 (OUTLIER) cc_final: 0.6879 (tm-30) REVERT: Ac 7 GLU cc_start: 0.7951 (OUTLIER) cc_final: 0.7237 (mt-10) REVERT: Ac 30 LYS cc_start: 0.8282 (OUTLIER) cc_final: 0.7939 (pmmt) REVERT: Bc 83 ARG cc_start: 0.7998 (OUTLIER) cc_final: 0.7782 (ptt90) REVERT: Cc 34 ARG cc_start: 0.7842 (ttp-110) cc_final: 0.7503 (ttp-170) REVERT: Dc 22 GLU cc_start: 0.7481 (OUTLIER) cc_final: 0.6721 (tm-30) REVERT: Ad 7 GLU cc_start: 0.7997 (OUTLIER) cc_final: 0.7283 (mt-10) REVERT: Ad 22 LYS cc_start: 0.8784 (OUTLIER) cc_final: 0.7538 (mppt) REVERT: Dd 38 ARG cc_start: 0.8777 (OUTLIER) cc_final: 0.7331 (tmm-80) REVERT: Ae 7 GLU cc_start: 0.7759 (OUTLIER) cc_final: 0.7505 (mm-30) REVERT: Ae 22 LYS cc_start: 0.8894 (mptt) cc_final: 0.8510 (mmtt) REVERT: Ce 75 LEU cc_start: 0.8881 (OUTLIER) cc_final: 0.8680 (tp) REVERT: De 22 GLU cc_start: 0.7517 (OUTLIER) cc_final: 0.7020 (tp30) REVERT: De 66 ASP cc_start: 0.7184 (OUTLIER) cc_final: 0.6907 (t70) REVERT: Af 7 GLU cc_start: 0.7760 (OUTLIER) cc_final: 0.6924 (mt-10) REVERT: Af 28 TRP cc_start: 0.8645 (OUTLIER) cc_final: 0.7444 (p90) REVERT: Bf 13 GLU cc_start: 0.8319 (tt0) cc_final: 0.8047 (tp30) REVERT: Bf 70 ARG cc_start: 0.7126 (OUTLIER) cc_final: 0.6720 (mtp180) REVERT: Cf 34 ARG cc_start: 0.7703 (ttm110) cc_final: 0.7463 (ttp-170) REVERT: Df 34 ARG cc_start: 0.7986 (OUTLIER) cc_final: 0.7336 (ptt-90) REVERT: Bg 75 LEU cc_start: 0.8845 (OUTLIER) cc_final: 0.8594 (tp) REVERT: Cg 75 LEU cc_start: 0.8945 (OUTLIER) cc_final: 0.8621 (tp) REVERT: Dg 13 GLU cc_start: 0.8604 (OUTLIER) cc_final: 0.8198 (tp30) REVERT: Dg 22 GLU cc_start: 0.7533 (OUTLIER) cc_final: 0.6886 (tm-30) REVERT: Ah 7 GLU cc_start: 0.7911 (OUTLIER) cc_final: 0.7166 (mt-10) REVERT: Ah 30 LYS cc_start: 0.8276 (OUTLIER) cc_final: 0.7950 (pmmt) REVERT: Bh 83 ARG cc_start: 0.8012 (OUTLIER) cc_final: 0.7753 (ptt90) REVERT: Ch 34 ARG cc_start: 0.7858 (ttp-110) cc_final: 0.7518 (ttp-170) REVERT: Ai 7 GLU cc_start: 0.8011 (OUTLIER) cc_final: 0.7227 (mt-10) REVERT: Ai 22 LYS cc_start: 0.8780 (OUTLIER) cc_final: 0.7537 (mppt) REVERT: Ci 70 ARG cc_start: 0.6126 (OUTLIER) cc_final: 0.5889 (mtt90) REVERT: Di 38 ARG cc_start: 0.8779 (OUTLIER) cc_final: 0.7355 (tmm-80) REVERT: Aj 7 GLU cc_start: 0.7794 (OUTLIER) cc_final: 0.7511 (mm-30) REVERT: Aj 22 LYS cc_start: 0.8888 (mptt) cc_final: 0.8505 (mmtt) REVERT: Dj 22 GLU cc_start: 0.7522 (OUTLIER) cc_final: 0.7032 (tp30) REVERT: Dj 66 ASP cc_start: 0.7182 (OUTLIER) cc_final: 0.6919 (t70) REVERT: Ak 7 GLU cc_start: 0.7806 (OUTLIER) cc_final: 0.6986 (mt-10) REVERT: Ak 28 TRP cc_start: 0.8630 (OUTLIER) cc_final: 0.7412 (p90) REVERT: Bk 13 GLU cc_start: 0.8328 (tt0) cc_final: 0.8079 (tp30) REVERT: Bk 70 ARG cc_start: 0.7101 (OUTLIER) cc_final: 0.6702 (mtp180) REVERT: Ck 34 ARG cc_start: 0.7712 (ttm110) cc_final: 0.7473 (ttp-170) REVERT: Dk 34 ARG cc_start: 0.7990 (OUTLIER) cc_final: 0.7339 (ptt-90) REVERT: Al 7 GLU cc_start: 0.7787 (OUTLIER) cc_final: 0.6911 (mt-10) REVERT: Al 30 LYS cc_start: 0.8229 (OUTLIER) cc_final: 0.7796 (pmmt) REVERT: Bl 75 LEU cc_start: 0.8877 (OUTLIER) cc_final: 0.8642 (tp) REVERT: Cl 75 LEU cc_start: 0.8936 (OUTLIER) cc_final: 0.8613 (tp) REVERT: Dl 13 GLU cc_start: 0.8604 (OUTLIER) cc_final: 0.8198 (tp30) REVERT: Dl 22 GLU cc_start: 0.7535 (OUTLIER) cc_final: 0.6892 (tm-30) REVERT: Am 7 GLU cc_start: 0.7909 (OUTLIER) cc_final: 0.7176 (mt-10) REVERT: Bm 13 GLU cc_start: 0.8202 (tt0) cc_final: 0.7993 (tp30) REVERT: Bm 83 ARG cc_start: 0.8001 (OUTLIER) cc_final: 0.7783 (ptt90) REVERT: Cm 34 ARG cc_start: 0.7851 (ttp-110) cc_final: 0.7509 (ttp-170) REVERT: Dm 22 GLU cc_start: 0.7483 (OUTLIER) cc_final: 0.6724 (tm-30) REVERT: An 7 GLU cc_start: 0.8033 (OUTLIER) cc_final: 0.7227 (mt-10) REVERT: An 22 LYS cc_start: 0.8769 (OUTLIER) cc_final: 0.7537 (mppt) REVERT: An 30 LYS cc_start: 0.8140 (OUTLIER) cc_final: 0.7594 (pmmt) REVERT: Dn 38 ARG cc_start: 0.8774 (OUTLIER) cc_final: 0.7330 (tmm-80) REVERT: Ao 7 GLU cc_start: 0.7765 (OUTLIER) cc_final: 0.7512 (mm-30) REVERT: Ao 22 LYS cc_start: 0.8889 (mptt) cc_final: 0.8502 (mmtt) REVERT: Do 22 GLU cc_start: 0.7517 (OUTLIER) cc_final: 0.7025 (tp30) REVERT: Do 66 ASP cc_start: 0.7221 (OUTLIER) cc_final: 0.6880 (t70) REVERT: Ap 7 GLU cc_start: 0.7858 (OUTLIER) cc_final: 0.7076 (mm-30) REVERT: Ap 28 TRP cc_start: 0.8647 (OUTLIER) cc_final: 0.7332 (p90) REVERT: Bp 13 GLU cc_start: 0.8331 (tt0) cc_final: 0.8050 (tp30) REVERT: Bp 70 ARG cc_start: 0.7102 (OUTLIER) cc_final: 0.6719 (mtp180) REVERT: Aq 7 GLU cc_start: 0.7874 (OUTLIER) cc_final: 0.7105 (mt-10) REVERT: Aq 22 LYS cc_start: 0.8613 (mttt) cc_final: 0.8231 (mttt) REVERT: Bq 75 LEU cc_start: 0.8825 (OUTLIER) cc_final: 0.8534 (tp) REVERT: Cq 75 LEU cc_start: 0.8938 (OUTLIER) cc_final: 0.8628 (tp) REVERT: Dq 22 GLU cc_start: 0.7574 (OUTLIER) cc_final: 0.6888 (tm-30) REVERT: Ar 7 GLU cc_start: 0.7902 (OUTLIER) cc_final: 0.7153 (mt-10) REVERT: Ar 30 LYS cc_start: 0.8268 (OUTLIER) cc_final: 0.7944 (pmmt) REVERT: Br 83 ARG cc_start: 0.8005 (OUTLIER) cc_final: 0.7750 (ptt90) REVERT: Cr 34 ARG cc_start: 0.7846 (ttp-110) cc_final: 0.7512 (ttp-170) REVERT: As 7 GLU cc_start: 0.7997 (OUTLIER) cc_final: 0.7204 (mt-10) REVERT: As 22 LYS cc_start: 0.8788 (OUTLIER) cc_final: 0.7513 (mppt) REVERT: Cs 70 ARG cc_start: 0.6106 (OUTLIER) cc_final: 0.5869 (mtt90) REVERT: Ds 38 ARG cc_start: 0.8787 (OUTLIER) cc_final: 0.7343 (tmm-80) REVERT: At 7 GLU cc_start: 0.7779 (OUTLIER) cc_final: 0.7524 (mm-30) REVERT: At 22 LYS cc_start: 0.8896 (mptt) cc_final: 0.8512 (mmtt) REVERT: Dt 22 GLU cc_start: 0.7522 (OUTLIER) cc_final: 0.7042 (tp30) REVERT: Dt 66 ASP cc_start: 0.7167 (OUTLIER) cc_final: 0.6891 (t70) REVERT: Av 7 GLU cc_start: 0.7813 (OUTLIER) cc_final: 0.6926 (mt-10) REVERT: Av 28 TRP cc_start: 0.8648 (OUTLIER) cc_final: 0.7423 (p90) REVERT: Bv 13 GLU cc_start: 0.8334 (tt0) cc_final: 0.8084 (tp30) REVERT: Bv 70 ARG cc_start: 0.7099 (OUTLIER) cc_final: 0.6707 (mtp180) REVERT: Cv 34 ARG cc_start: 0.7710 (ttm110) cc_final: 0.7468 (ttp-170) REVERT: Dv 34 ARG cc_start: 0.7996 (OUTLIER) cc_final: 0.7349 (ptt-90) REVERT: Bw 75 LEU cc_start: 0.8858 (OUTLIER) cc_final: 0.8609 (tp) REVERT: Cw 75 LEU cc_start: 0.8935 (OUTLIER) cc_final: 0.8648 (tp) REVERT: Dw 13 GLU cc_start: 0.8607 (OUTLIER) cc_final: 0.8206 (tp30) REVERT: Dw 22 GLU cc_start: 0.7550 (OUTLIER) cc_final: 0.6904 (tm-30) REVERT: Ax 7 GLU cc_start: 0.7904 (OUTLIER) cc_final: 0.7155 (mt-10) REVERT: Ax 30 LYS cc_start: 0.8262 (OUTLIER) cc_final: 0.7937 (pmmt) REVERT: Bx 83 ARG cc_start: 0.7986 (OUTLIER) cc_final: 0.7734 (ptt90) REVERT: Cx 34 ARG cc_start: 0.7834 (ttp-110) cc_final: 0.7505 (ttp-170) REVERT: Dx 22 GLU cc_start: 0.7507 (OUTLIER) cc_final: 0.6765 (tm-30) REVERT: Ay 4 MET cc_start: 0.8181 (OUTLIER) cc_final: 0.7557 (mmm) REVERT: Ay 7 GLU cc_start: 0.7999 (OUTLIER) cc_final: 0.7203 (mt-10) REVERT: Ay 22 LYS cc_start: 0.8781 (OUTLIER) cc_final: 0.7517 (mppt) REVERT: Dy 38 ARG cc_start: 0.8778 (OUTLIER) cc_final: 0.7334 (tmm-80) REVERT: Az 7 GLU cc_start: 0.7812 (OUTLIER) cc_final: 0.7091 (mm-30) REVERT: Az 22 LYS cc_start: 0.8884 (mptt) cc_final: 0.8496 (mmtt) REVERT: Az 60 GLU cc_start: 0.7682 (tp30) cc_final: 0.7475 (tp30) REVERT: Dz 22 GLU cc_start: 0.7516 (OUTLIER) cc_final: 0.7014 (tp30) REVERT: Dz 66 ASP cc_start: 0.7166 (OUTLIER) cc_final: 0.6890 (t70) REVERT: A0 7 GLU cc_start: 0.7828 (OUTLIER) cc_final: 0.6982 (mt-10) REVERT: A0 8 LYS cc_start: 0.8537 (OUTLIER) cc_final: 0.8274 (pttm) REVERT: A0 28 TRP cc_start: 0.8625 (OUTLIER) cc_final: 0.7301 (p90) REVERT: B0 13 GLU cc_start: 0.8323 (tt0) cc_final: 0.8050 (tp30) REVERT: B0 70 ARG cc_start: 0.7119 (OUTLIER) cc_final: 0.6726 (mtp-110) REVERT: C0 34 ARG cc_start: 0.7700 (ttm110) cc_final: 0.7467 (ttp-170) REVERT: B1 75 LEU cc_start: 0.8855 (OUTLIER) cc_final: 0.8601 (tp) REVERT: C1 75 LEU cc_start: 0.8932 (OUTLIER) cc_final: 0.8644 (tp) REVERT: D1 22 GLU cc_start: 0.7489 (OUTLIER) cc_final: 0.6815 (tm-30) REVERT: A2 7 GLU cc_start: 0.7924 (OUTLIER) cc_final: 0.7164 (mt-10) REVERT: B2 13 GLU cc_start: 0.8184 (tt0) cc_final: 0.7980 (tp30) REVERT: C2 34 ARG cc_start: 0.7840 (ttp-110) cc_final: 0.7505 (ttp-170) REVERT: D2 22 GLU cc_start: 0.7509 (OUTLIER) cc_final: 0.6773 (tm-30) REVERT: A3 4 MET cc_start: 0.8137 (OUTLIER) cc_final: 0.7604 (mmt) REVERT: A3 7 GLU cc_start: 0.7985 (OUTLIER) cc_final: 0.7193 (mt-10) REVERT: A3 22 LYS cc_start: 0.8797 (OUTLIER) cc_final: 0.7540 (mppt) REVERT: C3 70 ARG cc_start: 0.6109 (OUTLIER) cc_final: 0.5865 (mtt90) REVERT: A4 7 GLU cc_start: 0.7787 (OUTLIER) cc_final: 0.7530 (mm-30) REVERT: A4 22 LYS cc_start: 0.8900 (mptt) cc_final: 0.8518 (mmtt) REVERT: D4 22 GLU cc_start: 0.7517 (OUTLIER) cc_final: 0.7011 (tp30) REVERT: D4 66 ASP cc_start: 0.7215 (OUTLIER) cc_final: 0.6870 (t70) REVERT: A5 7 GLU cc_start: 0.7853 (OUTLIER) cc_final: 0.7000 (mt-10) REVERT: A5 8 LYS cc_start: 0.8484 (OUTLIER) cc_final: 0.8258 (pttm) REVERT: A5 28 TRP cc_start: 0.8637 (OUTLIER) cc_final: 0.7310 (p90) REVERT: B5 13 GLU cc_start: 0.8331 (tt0) cc_final: 0.8071 (tp30) REVERT: B5 70 ARG cc_start: 0.7104 (OUTLIER) cc_final: 0.6718 (mtp180) REVERT: B5 83 ARG cc_start: 0.8044 (ptt90) cc_final: 0.7718 (ptt180) REVERT: C5 34 ARG cc_start: 0.7708 (ttm110) cc_final: 0.7466 (ttp-170) REVERT: B6 75 LEU cc_start: 0.8812 (OUTLIER) cc_final: 0.8566 (tp) REVERT: C6 75 LEU cc_start: 0.8941 (OUTLIER) cc_final: 0.8617 (tp) REVERT: D6 22 GLU cc_start: 0.7477 (OUTLIER) cc_final: 0.6801 (tm-30) REVERT: A7 7 GLU cc_start: 0.7909 (OUTLIER) cc_final: 0.7153 (mt-10) REVERT: A7 30 LYS cc_start: 0.8268 (OUTLIER) cc_final: 0.7947 (pmmt) REVERT: B7 83 ARG cc_start: 0.7982 (OUTLIER) cc_final: 0.7766 (ptt90) REVERT: C7 34 ARG cc_start: 0.7848 (ttp-110) cc_final: 0.7507 (ttp-170) REVERT: D7 22 GLU cc_start: 0.7502 (OUTLIER) cc_final: 0.6764 (tm-30) REVERT: A8 7 GLU cc_start: 0.7983 (OUTLIER) cc_final: 0.7301 (mt-10) REVERT: A8 22 LYS cc_start: 0.8788 (OUTLIER) cc_final: 0.7530 (mppt) REVERT: C8 70 ARG cc_start: 0.6099 (OUTLIER) cc_final: 0.5854 (mtt90) REVERT: D8 38 ARG cc_start: 0.8772 (OUTLIER) cc_final: 0.7336 (tmm-80) REVERT: A9 7 GLU cc_start: 0.7822 (OUTLIER) cc_final: 0.7540 (mm-30) REVERT: A9 22 LYS cc_start: 0.8901 (mptt) cc_final: 0.8512 (mmtt) REVERT: D9 22 GLU cc_start: 0.7513 (OUTLIER) cc_final: 0.7010 (tp30) REVERT: D9 66 ASP cc_start: 0.7162 (OUTLIER) cc_final: 0.6887 (t70) outliers start: 645 outliers final: 378 residues processed: 3821 average time/residue: 2.3692 time to fit residues: 12040.0686 Evaluate side-chains 4105 residues out of total 14880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 595 poor density : 3510 time to evaluate : 10.164 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 7 GLU Chi-restraints excluded: chain AA residue 8 LYS Chi-restraints excluded: chain AA residue 10 LEU Chi-restraints excluded: chain AA residue 28 TRP Chi-restraints excluded: chain BA residue 70 ARG Chi-restraints excluded: chain CA residue 83 ARG Chi-restraints excluded: chain CA residue 88 VAL Chi-restraints excluded: chain DA residue 14 THR Chi-restraints excluded: chain DA residue 27 MET Chi-restraints excluded: chain DA residue 48 VAL Chi-restraints excluded: chain DA residue 69 GLU Chi-restraints excluded: chain AB residue 7 GLU Chi-restraints excluded: chain AB residue 30 LYS Chi-restraints excluded: chain BB residue 75 LEU Chi-restraints excluded: chain CB residue 13 GLU Chi-restraints excluded: chain CB residue 75 LEU Chi-restraints excluded: chain DB residue 22 GLU Chi-restraints excluded: chain DB residue 38 ARG Chi-restraints excluded: chain DB residue 48 VAL Chi-restraints excluded: chain AC residue 7 GLU Chi-restraints excluded: chain AC residue 28 TRP Chi-restraints excluded: chain AC residue 30 LYS Chi-restraints excluded: chain AC residue 35 ARG Chi-restraints excluded: chain BC residue 75 LEU Chi-restraints excluded: chain BC residue 83 ARG Chi-restraints excluded: chain CC residue 84 VAL Chi-restraints excluded: chain DC residue 48 VAL Chi-restraints excluded: chain DC residue 66 ASP Chi-restraints excluded: chain AD residue 7 GLU Chi-restraints excluded: chain AD residue 22 LYS Chi-restraints excluded: chain AD residue 28 TRP Chi-restraints excluded: chain BD residue 28 THR Chi-restraints excluded: chain BD residue 75 LEU Chi-restraints excluded: chain BD residue 84 VAL Chi-restraints excluded: chain CD residue 83 ARG Chi-restraints excluded: chain DD residue 13 GLU Chi-restraints excluded: chain DD residue 38 ARG Chi-restraints excluded: chain DD residue 48 VAL Chi-restraints excluded: chain DD residue 66 ASP Chi-restraints excluded: chain DD residue 86 SER Chi-restraints excluded: chain AE residue 7 GLU Chi-restraints excluded: chain AE residue 30 LYS Chi-restraints excluded: chain AE residue 39 VAL Chi-restraints excluded: chain DE residue 13 GLU Chi-restraints excluded: chain DE residue 22 GLU Chi-restraints excluded: chain DE residue 48 VAL Chi-restraints excluded: chain DE residue 66 ASP Chi-restraints excluded: chain AF residue 7 GLU Chi-restraints excluded: chain AF residue 8 LYS Chi-restraints excluded: chain AF residue 10 LEU Chi-restraints excluded: chain AF residue 28 TRP Chi-restraints excluded: chain BF residue 70 ARG Chi-restraints excluded: chain CF residue 83 ARG Chi-restraints excluded: chain CF residue 88 VAL Chi-restraints excluded: chain DF residue 14 THR Chi-restraints excluded: chain DF residue 27 MET Chi-restraints excluded: chain DF residue 48 VAL Chi-restraints excluded: chain DF residue 69 GLU Chi-restraints excluded: chain AG residue 7 GLU Chi-restraints excluded: chain AG residue 28 TRP Chi-restraints excluded: chain BG residue 75 LEU Chi-restraints excluded: chain CG residue 11 MET Chi-restraints excluded: chain CG residue 13 GLU Chi-restraints excluded: chain CG residue 75 LEU Chi-restraints excluded: chain DG residue 22 GLU Chi-restraints excluded: chain DG residue 38 ARG Chi-restraints excluded: chain DG residue 48 VAL Chi-restraints excluded: chain AH residue 7 GLU Chi-restraints excluded: chain AH residue 28 TRP Chi-restraints excluded: chain AH residue 30 LYS Chi-restraints excluded: chain AH residue 35 ARG Chi-restraints excluded: chain BH residue 75 LEU Chi-restraints excluded: chain DH residue 22 GLU Chi-restraints excluded: chain DH residue 38 ARG Chi-restraints excluded: chain DH residue 48 VAL Chi-restraints excluded: chain DH residue 66 ASP Chi-restraints excluded: chain AI residue 7 GLU Chi-restraints excluded: chain AI residue 22 LYS Chi-restraints excluded: chain AI residue 28 TRP Chi-restraints excluded: chain BI residue 28 THR Chi-restraints excluded: chain BI residue 75 LEU Chi-restraints excluded: chain BI residue 84 VAL Chi-restraints excluded: chain DI residue 13 GLU Chi-restraints excluded: chain DI residue 38 ARG Chi-restraints excluded: chain DI residue 48 VAL Chi-restraints excluded: chain DI residue 66 ASP Chi-restraints excluded: chain AJ residue 7 GLU Chi-restraints excluded: chain AJ residue 30 LYS Chi-restraints excluded: chain AJ residue 39 VAL Chi-restraints excluded: chain DJ residue 13 GLU Chi-restraints excluded: chain DJ residue 22 GLU Chi-restraints excluded: chain DJ residue 48 VAL Chi-restraints excluded: chain DJ residue 66 ASP Chi-restraints excluded: chain AK residue 7 GLU Chi-restraints excluded: chain AK residue 8 LYS Chi-restraints excluded: chain AK residue 10 LEU Chi-restraints excluded: chain AK residue 28 TRP Chi-restraints excluded: chain BK residue 70 ARG Chi-restraints excluded: chain CK residue 83 ARG Chi-restraints excluded: chain CK residue 88 VAL Chi-restraints excluded: chain DK residue 14 THR Chi-restraints excluded: chain DK residue 27 MET Chi-restraints excluded: chain DK residue 48 VAL Chi-restraints excluded: chain DK residue 69 GLU Chi-restraints excluded: chain AL residue 7 GLU Chi-restraints excluded: chain AL residue 28 TRP Chi-restraints excluded: chain BL residue 75 LEU Chi-restraints excluded: chain CL residue 11 MET Chi-restraints excluded: chain CL residue 13 GLU Chi-restraints excluded: chain CL residue 75 LEU Chi-restraints excluded: chain DL residue 22 GLU Chi-restraints excluded: chain DL residue 48 VAL Chi-restraints excluded: chain AM residue 7 GLU Chi-restraints excluded: chain AM residue 28 TRP Chi-restraints excluded: chain AM residue 30 LYS Chi-restraints excluded: chain BM residue 75 LEU Chi-restraints excluded: chain BM residue 83 ARG Chi-restraints excluded: chain CM residue 83 ARG Chi-restraints excluded: chain DM residue 13 GLU Chi-restraints excluded: chain DM residue 38 ARG Chi-restraints excluded: chain DM residue 48 VAL Chi-restraints excluded: chain DM residue 66 ASP Chi-restraints excluded: chain AN residue 4 MET Chi-restraints excluded: chain AN residue 7 GLU Chi-restraints excluded: chain AN residue 22 LYS Chi-restraints excluded: chain AN residue 28 TRP Chi-restraints excluded: chain BN residue 28 THR Chi-restraints excluded: chain BN residue 75 LEU Chi-restraints excluded: chain BN residue 84 VAL Chi-restraints excluded: chain CN residue 70 ARG Chi-restraints excluded: chain DN residue 13 GLU Chi-restraints excluded: chain DN residue 38 ARG Chi-restraints excluded: chain DN residue 48 VAL Chi-restraints excluded: chain DN residue 66 ASP Chi-restraints excluded: chain DN residue 86 SER Chi-restraints excluded: chain AO residue 7 GLU Chi-restraints excluded: chain AO residue 30 LYS Chi-restraints excluded: chain AO residue 39 VAL Chi-restraints excluded: chain CO residue 88 VAL Chi-restraints excluded: chain DO residue 22 GLU Chi-restraints excluded: chain DO residue 48 VAL Chi-restraints excluded: chain DO residue 66 ASP Chi-restraints excluded: chain AP residue 7 GLU Chi-restraints excluded: chain AP residue 8 LYS Chi-restraints excluded: chain AP residue 10 LEU Chi-restraints excluded: chain AP residue 28 TRP Chi-restraints excluded: chain BP residue 70 ARG Chi-restraints excluded: chain CP residue 83 ARG Chi-restraints excluded: chain CP residue 88 VAL Chi-restraints excluded: chain DP residue 14 THR Chi-restraints excluded: chain DP residue 27 MET Chi-restraints excluded: chain DP residue 48 VAL Chi-restraints excluded: chain DP residue 69 GLU Chi-restraints excluded: chain AQ residue 7 GLU Chi-restraints excluded: chain AQ residue 28 TRP Chi-restraints excluded: chain AQ residue 30 LYS Chi-restraints excluded: chain BQ residue 75 LEU Chi-restraints excluded: chain CQ residue 13 GLU Chi-restraints excluded: chain CQ residue 75 LEU Chi-restraints excluded: chain DQ residue 13 GLU Chi-restraints excluded: chain DQ residue 22 GLU Chi-restraints excluded: chain DQ residue 48 VAL Chi-restraints excluded: chain AR residue 7 GLU Chi-restraints excluded: chain AR residue 28 TRP Chi-restraints excluded: chain AR residue 35 ARG Chi-restraints excluded: chain BR residue 75 LEU Chi-restraints excluded: chain BR residue 83 ARG Chi-restraints excluded: chain CR residue 84 VAL Chi-restraints excluded: chain DR residue 22 GLU Chi-restraints excluded: chain DR residue 48 VAL Chi-restraints excluded: chain DR residue 66 ASP Chi-restraints excluded: chain AS residue 7 GLU Chi-restraints excluded: chain AS residue 22 LYS Chi-restraints excluded: chain AS residue 28 TRP Chi-restraints excluded: chain BS residue 28 THR Chi-restraints excluded: chain BS residue 75 LEU Chi-restraints excluded: chain BS residue 84 VAL Chi-restraints excluded: chain DS residue 13 GLU Chi-restraints excluded: chain DS residue 38 ARG Chi-restraints excluded: chain DS residue 48 VAL Chi-restraints excluded: chain DS residue 66 ASP Chi-restraints excluded: chain DS residue 86 SER Chi-restraints excluded: chain AT residue 7 GLU Chi-restraints excluded: chain AT residue 30 LYS Chi-restraints excluded: chain AT residue 39 VAL Chi-restraints excluded: chain BT residue 83 ARG Chi-restraints excluded: chain CT residue 88 VAL Chi-restraints excluded: chain DT residue 13 GLU Chi-restraints excluded: chain DT residue 22 GLU Chi-restraints excluded: chain DT residue 48 VAL Chi-restraints excluded: chain DT residue 66 ASP Chi-restraints excluded: chain AV residue 7 GLU Chi-restraints excluded: chain AV residue 10 LEU Chi-restraints excluded: chain AV residue 28 TRP Chi-restraints excluded: chain BV residue 69 GLU Chi-restraints excluded: chain BV residue 70 ARG Chi-restraints excluded: chain CV residue 83 ARG Chi-restraints excluded: chain CV residue 88 VAL Chi-restraints excluded: chain DV residue 14 THR Chi-restraints excluded: chain DV residue 27 MET Chi-restraints excluded: chain DV residue 48 VAL Chi-restraints excluded: chain DV residue 69 GLU Chi-restraints excluded: chain AW residue 7 GLU Chi-restraints excluded: chain AW residue 28 TRP Chi-restraints excluded: chain BW residue 75 LEU Chi-restraints excluded: chain CW residue 13 GLU Chi-restraints excluded: chain CW residue 75 LEU Chi-restraints excluded: chain DW residue 13 GLU Chi-restraints excluded: chain DW residue 22 GLU Chi-restraints excluded: chain DW residue 48 VAL Chi-restraints excluded: chain AX residue 7 GLU Chi-restraints excluded: chain AX residue 28 TRP Chi-restraints excluded: chain AX residue 30 LYS Chi-restraints excluded: chain AX residue 35 ARG Chi-restraints excluded: chain BX residue 75 LEU Chi-restraints excluded: chain BX residue 83 ARG Chi-restraints excluded: chain CX residue 84 VAL Chi-restraints excluded: chain DX residue 48 VAL Chi-restraints excluded: chain DX residue 66 ASP Chi-restraints excluded: chain AY residue 7 GLU Chi-restraints excluded: chain AY residue 22 LYS Chi-restraints excluded: chain AY residue 28 TRP Chi-restraints excluded: chain BY residue 28 THR Chi-restraints excluded: chain BY residue 75 LEU Chi-restraints excluded: chain BY residue 84 VAL Chi-restraints excluded: chain CY residue 70 ARG Chi-restraints excluded: chain DY residue 13 GLU Chi-restraints excluded: chain DY residue 38 ARG Chi-restraints excluded: chain DY residue 48 VAL Chi-restraints excluded: chain DY residue 66 ASP Chi-restraints excluded: chain DY residue 86 SER Chi-restraints excluded: chain AZ residue 7 GLU Chi-restraints excluded: chain AZ residue 30 LYS Chi-restraints excluded: chain AZ residue 39 VAL Chi-restraints excluded: chain BZ residue 83 ARG Chi-restraints excluded: chain CZ residue 84 VAL Chi-restraints excluded: chain CZ residue 88 VAL Chi-restraints excluded: chain DZ residue 13 GLU Chi-restraints excluded: chain DZ residue 22 GLU Chi-restraints excluded: chain DZ residue 48 VAL Chi-restraints excluded: chain DZ residue 66 ASP Chi-restraints excluded: chain Aa residue 7 GLU Chi-restraints excluded: chain Aa residue 8 LYS Chi-restraints excluded: chain Aa residue 10 LEU Chi-restraints excluded: chain Aa residue 28 TRP Chi-restraints excluded: chain Ba residue 69 GLU Chi-restraints excluded: chain Ba residue 70 ARG Chi-restraints excluded: chain Ca residue 83 ARG Chi-restraints excluded: chain Ca residue 88 VAL Chi-restraints excluded: chain Da residue 14 THR Chi-restraints excluded: chain Da residue 27 MET Chi-restraints excluded: chain Da residue 48 VAL Chi-restraints excluded: chain Da residue 69 GLU Chi-restraints excluded: chain Ab residue 7 GLU Chi-restraints excluded: chain Ab residue 30 LYS Chi-restraints excluded: chain Bb residue 75 LEU Chi-restraints excluded: chain Cb residue 11 MET Chi-restraints excluded: chain Cb residue 13 GLU Chi-restraints excluded: chain Cb residue 75 LEU Chi-restraints excluded: chain Db residue 13 GLU Chi-restraints excluded: chain Db residue 22 GLU Chi-restraints excluded: chain Db residue 38 ARG Chi-restraints excluded: chain Db residue 48 VAL Chi-restraints excluded: chain Ac residue 7 GLU Chi-restraints excluded: chain Ac residue 28 TRP Chi-restraints excluded: chain Ac residue 30 LYS Chi-restraints excluded: chain Ac residue 35 ARG Chi-restraints excluded: chain Bc residue 75 LEU Chi-restraints excluded: chain Bc residue 83 ARG Chi-restraints excluded: chain Cc residue 84 VAL Chi-restraints excluded: chain Dc residue 22 GLU Chi-restraints excluded: chain Dc residue 38 ARG Chi-restraints excluded: chain Dc residue 48 VAL Chi-restraints excluded: chain Dc residue 66 ASP Chi-restraints excluded: chain Ad residue 7 GLU Chi-restraints excluded: chain Ad residue 22 LYS Chi-restraints excluded: chain Ad residue 28 TRP Chi-restraints excluded: chain Bd residue 28 THR Chi-restraints excluded: chain Bd residue 75 LEU Chi-restraints excluded: chain Bd residue 84 VAL Chi-restraints excluded: chain Cd residue 83 ARG Chi-restraints excluded: chain Dd residue 13 GLU Chi-restraints excluded: chain Dd residue 38 ARG Chi-restraints excluded: chain Dd residue 48 VAL Chi-restraints excluded: chain Dd residue 66 ASP Chi-restraints excluded: chain Dd residue 86 SER Chi-restraints excluded: chain Ae residue 7 GLU Chi-restraints excluded: chain Ae residue 30 LYS Chi-restraints excluded: chain Ae residue 39 VAL Chi-restraints excluded: chain Ce residue 75 LEU Chi-restraints excluded: chain Ce residue 84 VAL Chi-restraints excluded: chain Ce residue 88 VAL Chi-restraints excluded: chain De residue 13 GLU Chi-restraints excluded: chain De residue 22 GLU Chi-restraints excluded: chain De residue 48 VAL Chi-restraints excluded: chain De residue 66 ASP Chi-restraints excluded: chain Af residue 7 GLU Chi-restraints excluded: chain Af residue 10 LEU Chi-restraints excluded: chain Af residue 28 TRP Chi-restraints excluded: chain Bf residue 70 ARG Chi-restraints excluded: chain Cf residue 83 ARG Chi-restraints excluded: chain Cf residue 88 VAL Chi-restraints excluded: chain Df residue 27 MET Chi-restraints excluded: chain Df residue 34 ARG Chi-restraints excluded: chain Df residue 48 VAL Chi-restraints excluded: chain Df residue 69 GLU Chi-restraints excluded: chain Ag residue 7 GLU Chi-restraints excluded: chain Ag residue 28 TRP Chi-restraints excluded: chain Bg residue 75 LEU Chi-restraints excluded: chain Cg residue 11 MET Chi-restraints excluded: chain Cg residue 13 GLU Chi-restraints excluded: chain Cg residue 75 LEU Chi-restraints excluded: chain Dg residue 13 GLU Chi-restraints excluded: chain Dg residue 22 GLU Chi-restraints excluded: chain Dg residue 48 VAL Chi-restraints excluded: chain Ah residue 7 GLU Chi-restraints excluded: chain Ah residue 28 TRP Chi-restraints excluded: chain Ah residue 30 LYS Chi-restraints excluded: chain Ah residue 35 ARG Chi-restraints excluded: chain Bh residue 75 LEU Chi-restraints excluded: chain Bh residue 83 ARG Chi-restraints excluded: chain Dh residue 48 VAL Chi-restraints excluded: chain Dh residue 66 ASP Chi-restraints excluded: chain Ai residue 7 GLU Chi-restraints excluded: chain Ai residue 22 LYS Chi-restraints excluded: chain Ai residue 28 TRP Chi-restraints excluded: chain Bi residue 28 THR Chi-restraints excluded: chain Bi residue 75 LEU Chi-restraints excluded: chain Bi residue 83 ARG Chi-restraints excluded: chain Bi residue 84 VAL Chi-restraints excluded: chain Ci residue 70 ARG Chi-restraints excluded: chain Di residue 13 GLU Chi-restraints excluded: chain Di residue 38 ARG Chi-restraints excluded: chain Di residue 48 VAL Chi-restraints excluded: chain Di residue 66 ASP Chi-restraints excluded: chain Di residue 86 SER Chi-restraints excluded: chain Aj residue 7 GLU Chi-restraints excluded: chain Aj residue 30 LYS Chi-restraints excluded: chain Aj residue 39 VAL Chi-restraints excluded: chain Bj residue 83 ARG Chi-restraints excluded: chain Cj residue 69 GLU Chi-restraints excluded: chain Cj residue 70 ARG Chi-restraints excluded: chain Cj residue 88 VAL Chi-restraints excluded: chain Dj residue 13 GLU Chi-restraints excluded: chain Dj residue 22 GLU Chi-restraints excluded: chain Dj residue 48 VAL Chi-restraints excluded: chain Dj residue 66 ASP Chi-restraints excluded: chain Ak residue 2 LYS Chi-restraints excluded: chain Ak residue 7 GLU Chi-restraints excluded: chain Ak residue 10 LEU Chi-restraints excluded: chain Ak residue 28 TRP Chi-restraints excluded: chain Bk residue 70 ARG Chi-restraints excluded: chain Ck residue 83 ARG Chi-restraints excluded: chain Ck residue 88 VAL Chi-restraints excluded: chain Dk residue 27 MET Chi-restraints excluded: chain Dk residue 34 ARG Chi-restraints excluded: chain Dk residue 48 VAL Chi-restraints excluded: chain Dk residue 69 GLU Chi-restraints excluded: chain Al residue 7 GLU Chi-restraints excluded: chain Al residue 30 LYS Chi-restraints excluded: chain Bl residue 75 LEU Chi-restraints excluded: chain Cl residue 11 MET Chi-restraints excluded: chain Cl residue 13 GLU Chi-restraints excluded: chain Cl residue 75 LEU Chi-restraints excluded: chain Dl residue 13 GLU Chi-restraints excluded: chain Dl residue 22 GLU Chi-restraints excluded: chain Dl residue 48 VAL Chi-restraints excluded: chain Am residue 7 GLU Chi-restraints excluded: chain Am residue 28 TRP Chi-restraints excluded: chain Am residue 35 ARG Chi-restraints excluded: chain Bm residue 75 LEU Chi-restraints excluded: chain Bm residue 83 ARG Chi-restraints excluded: chain Cm residue 84 VAL Chi-restraints excluded: chain Dm residue 22 GLU Chi-restraints excluded: chain Dm residue 48 VAL Chi-restraints excluded: chain Dm residue 66 ASP Chi-restraints excluded: chain An residue 7 GLU Chi-restraints excluded: chain An residue 22 LYS Chi-restraints excluded: chain An residue 28 TRP Chi-restraints excluded: chain An residue 30 LYS Chi-restraints excluded: chain Bn residue 28 THR Chi-restraints excluded: chain Bn residue 69 GLU Chi-restraints excluded: chain Bn residue 75 LEU Chi-restraints excluded: chain Bn residue 84 VAL Chi-restraints excluded: chain Cn residue 83 ARG Chi-restraints excluded: chain Dn residue 13 GLU Chi-restraints excluded: chain Dn residue 38 ARG Chi-restraints excluded: chain Dn residue 48 VAL Chi-restraints excluded: chain Dn residue 66 ASP Chi-restraints excluded: chain Dn residue 86 SER Chi-restraints excluded: chain Ao residue 7 GLU Chi-restraints excluded: chain Ao residue 30 LYS Chi-restraints excluded: chain Ao residue 39 VAL Chi-restraints excluded: chain Co residue 84 VAL Chi-restraints excluded: chain Co residue 88 VAL Chi-restraints excluded: chain Do residue 22 GLU Chi-restraints excluded: chain Do residue 48 VAL Chi-restraints excluded: chain Do residue 66 ASP Chi-restraints excluded: chain Ap residue 2 LYS Chi-restraints excluded: chain Ap residue 7 GLU Chi-restraints excluded: chain Ap residue 10 LEU Chi-restraints excluded: chain Ap residue 28 TRP Chi-restraints excluded: chain Bp residue 70 ARG Chi-restraints excluded: chain Cp residue 83 ARG Chi-restraints excluded: chain Cp residue 88 VAL Chi-restraints excluded: chain Dp residue 14 THR Chi-restraints excluded: chain Dp residue 27 MET Chi-restraints excluded: chain Dp residue 48 VAL Chi-restraints excluded: chain Dp residue 69 GLU Chi-restraints excluded: chain Aq residue 7 GLU Chi-restraints excluded: chain Bq residue 75 LEU Chi-restraints excluded: chain Cq residue 13 GLU Chi-restraints excluded: chain Cq residue 75 LEU Chi-restraints excluded: chain Dq residue 22 GLU Chi-restraints excluded: chain Dq residue 48 VAL Chi-restraints excluded: chain Ar residue 7 GLU Chi-restraints excluded: chain Ar residue 28 TRP Chi-restraints excluded: chain Ar residue 30 LYS Chi-restraints excluded: chain Ar residue 35 ARG Chi-restraints excluded: chain Br residue 75 LEU Chi-restraints excluded: chain Br residue 83 ARG Chi-restraints excluded: chain Dr residue 38 ARG Chi-restraints excluded: chain Dr residue 48 VAL Chi-restraints excluded: chain Dr residue 66 ASP Chi-restraints excluded: chain As residue 7 GLU Chi-restraints excluded: chain As residue 22 LYS Chi-restraints excluded: chain As residue 28 TRP Chi-restraints excluded: chain Bs residue 28 THR Chi-restraints excluded: chain Bs residue 75 LEU Chi-restraints excluded: chain Bs residue 84 VAL Chi-restraints excluded: chain Cs residue 70 ARG Chi-restraints excluded: chain Cs residue 83 ARG Chi-restraints excluded: chain Ds residue 13 GLU Chi-restraints excluded: chain Ds residue 38 ARG Chi-restraints excluded: chain Ds residue 48 VAL Chi-restraints excluded: chain Ds residue 66 ASP Chi-restraints excluded: chain Ds residue 86 SER Chi-restraints excluded: chain At residue 7 GLU Chi-restraints excluded: chain At residue 30 LYS Chi-restraints excluded: chain At residue 39 VAL Chi-restraints excluded: chain Ct residue 84 VAL Chi-restraints excluded: chain Ct residue 88 VAL Chi-restraints excluded: chain Dt residue 13 GLU Chi-restraints excluded: chain Dt residue 22 GLU Chi-restraints excluded: chain Dt residue 48 VAL Chi-restraints excluded: chain Dt residue 66 ASP Chi-restraints excluded: chain Av residue 2 LYS Chi-restraints excluded: chain Av residue 7 GLU Chi-restraints excluded: chain Av residue 28 TRP Chi-restraints excluded: chain Bv residue 70 ARG Chi-restraints excluded: chain Cv residue 83 ARG Chi-restraints excluded: chain Cv residue 88 VAL Chi-restraints excluded: chain Dv residue 14 THR Chi-restraints excluded: chain Dv residue 27 MET Chi-restraints excluded: chain Dv residue 34 ARG Chi-restraints excluded: chain Dv residue 48 VAL Chi-restraints excluded: chain Dv residue 69 GLU Chi-restraints excluded: chain Aw residue 7 GLU Chi-restraints excluded: chain Aw residue 28 TRP Chi-restraints excluded: chain Bw residue 75 LEU Chi-restraints excluded: chain Cw residue 11 MET Chi-restraints excluded: chain Cw residue 13 GLU Chi-restraints excluded: chain Cw residue 75 LEU Chi-restraints excluded: chain Dw residue 13 GLU Chi-restraints excluded: chain Dw residue 22 GLU Chi-restraints excluded: chain Dw residue 38 ARG Chi-restraints excluded: chain Dw residue 48 VAL Chi-restraints excluded: chain Ax residue 7 GLU Chi-restraints excluded: chain Ax residue 28 TRP Chi-restraints excluded: chain Ax residue 30 LYS Chi-restraints excluded: chain Ax residue 35 ARG Chi-restraints excluded: chain Bx residue 75 LEU Chi-restraints excluded: chain Bx residue 83 ARG Chi-restraints excluded: chain Cx residue 84 VAL Chi-restraints excluded: chain Dx residue 22 GLU Chi-restraints excluded: chain Dx residue 38 ARG Chi-restraints excluded: chain Dx residue 48 VAL Chi-restraints excluded: chain Dx residue 66 ASP Chi-restraints excluded: chain Ay residue 4 MET Chi-restraints excluded: chain Ay residue 7 GLU Chi-restraints excluded: chain Ay residue 22 LYS Chi-restraints excluded: chain Ay residue 28 TRP Chi-restraints excluded: chain By residue 28 THR Chi-restraints excluded: chain By residue 75 LEU Chi-restraints excluded: chain By residue 84 VAL Chi-restraints excluded: chain Dy residue 13 GLU Chi-restraints excluded: chain Dy residue 38 ARG Chi-restraints excluded: chain Dy residue 48 VAL Chi-restraints excluded: chain Dy residue 66 ASP Chi-restraints excluded: chain Dy residue 86 SER Chi-restraints excluded: chain Az residue 7 GLU Chi-restraints excluded: chain Az residue 30 LYS Chi-restraints excluded: chain Cz residue 84 VAL Chi-restraints excluded: chain Cz residue 88 VAL Chi-restraints excluded: chain Dz residue 13 GLU Chi-restraints excluded: chain Dz residue 22 GLU Chi-restraints excluded: chain Dz residue 48 VAL Chi-restraints excluded: chain Dz residue 66 ASP Chi-restraints excluded: chain A0 residue 7 GLU Chi-restraints excluded: chain A0 residue 8 LYS Chi-restraints excluded: chain A0 residue 10 LEU Chi-restraints excluded: chain A0 residue 28 TRP Chi-restraints excluded: chain B0 residue 70 ARG Chi-restraints excluded: chain C0 residue 83 ARG Chi-restraints excluded: chain C0 residue 88 VAL Chi-restraints excluded: chain D0 residue 27 MET Chi-restraints excluded: chain D0 residue 48 VAL Chi-restraints excluded: chain D0 residue 69 GLU Chi-restraints excluded: chain A1 residue 7 GLU Chi-restraints excluded: chain A1 residue 28 TRP Chi-restraints excluded: chain B1 residue 75 LEU Chi-restraints excluded: chain C1 residue 11 MET Chi-restraints excluded: chain C1 residue 13 GLU Chi-restraints excluded: chain C1 residue 75 LEU Chi-restraints excluded: chain D1 residue 22 GLU Chi-restraints excluded: chain D1 residue 48 VAL Chi-restraints excluded: chain A2 residue 7 GLU Chi-restraints excluded: chain A2 residue 28 TRP Chi-restraints excluded: chain A2 residue 35 ARG Chi-restraints excluded: chain B2 residue 75 LEU Chi-restraints excluded: chain B2 residue 83 ARG Chi-restraints excluded: chain C2 residue 84 VAL Chi-restraints excluded: chain D2 residue 22 GLU Chi-restraints excluded: chain D2 residue 38 ARG Chi-restraints excluded: chain D2 residue 48 VAL Chi-restraints excluded: chain D2 residue 66 ASP Chi-restraints excluded: chain A3 residue 4 MET Chi-restraints excluded: chain A3 residue 7 GLU Chi-restraints excluded: chain A3 residue 22 LYS Chi-restraints excluded: chain A3 residue 28 TRP Chi-restraints excluded: chain B3 residue 28 THR Chi-restraints excluded: chain B3 residue 75 LEU Chi-restraints excluded: chain B3 residue 84 VAL Chi-restraints excluded: chain C3 residue 70 ARG Chi-restraints excluded: chain D3 residue 13 GLU Chi-restraints excluded: chain D3 residue 48 VAL Chi-restraints excluded: chain D3 residue 66 ASP Chi-restraints excluded: chain D3 residue 86 SER Chi-restraints excluded: chain A4 residue 7 GLU Chi-restraints excluded: chain A4 residue 30 LYS Chi-restraints excluded: chain A4 residue 39 VAL Chi-restraints excluded: chain B4 residue 83 ARG Chi-restraints excluded: chain C4 residue 69 GLU Chi-restraints excluded: chain C4 residue 84 VAL Chi-restraints excluded: chain C4 residue 88 VAL Chi-restraints excluded: chain D4 residue 22 GLU Chi-restraints excluded: chain D4 residue 48 VAL Chi-restraints excluded: chain D4 residue 66 ASP Chi-restraints excluded: chain A5 residue 7 GLU Chi-restraints excluded: chain A5 residue 8 LYS Chi-restraints excluded: chain A5 residue 10 LEU Chi-restraints excluded: chain A5 residue 28 TRP Chi-restraints excluded: chain B5 residue 70 ARG Chi-restraints excluded: chain C5 residue 83 ARG Chi-restraints excluded: chain C5 residue 88 VAL Chi-restraints excluded: chain D5 residue 27 MET Chi-restraints excluded: chain D5 residue 48 VAL Chi-restraints excluded: chain D5 residue 69 GLU Chi-restraints excluded: chain A6 residue 7 GLU Chi-restraints excluded: chain A6 residue 28 TRP Chi-restraints excluded: chain B6 residue 75 LEU Chi-restraints excluded: chain C6 residue 11 MET Chi-restraints excluded: chain C6 residue 13 GLU Chi-restraints excluded: chain C6 residue 75 LEU Chi-restraints excluded: chain D6 residue 22 GLU Chi-restraints excluded: chain D6 residue 48 VAL Chi-restraints excluded: chain A7 residue 7 GLU Chi-restraints excluded: chain A7 residue 28 TRP Chi-restraints excluded: chain A7 residue 30 LYS Chi-restraints excluded: chain A7 residue 35 ARG Chi-restraints excluded: chain B7 residue 75 LEU Chi-restraints excluded: chain B7 residue 83 ARG Chi-restraints excluded: chain C7 residue 84 VAL Chi-restraints excluded: chain D7 residue 22 GLU Chi-restraints excluded: chain D7 residue 48 VAL Chi-restraints excluded: chain D7 residue 66 ASP Chi-restraints excluded: chain A8 residue 7 GLU Chi-restraints excluded: chain A8 residue 22 LYS Chi-restraints excluded: chain A8 residue 28 TRP Chi-restraints excluded: chain B8 residue 28 THR Chi-restraints excluded: chain B8 residue 75 LEU Chi-restraints excluded: chain B8 residue 84 VAL Chi-restraints excluded: chain C8 residue 70 ARG Chi-restraints excluded: chain D8 residue 13 GLU Chi-restraints excluded: chain D8 residue 38 ARG Chi-restraints excluded: chain D8 residue 48 VAL Chi-restraints excluded: chain D8 residue 66 ASP Chi-restraints excluded: chain D8 residue 86 SER Chi-restraints excluded: chain A9 residue 7 GLU Chi-restraints excluded: chain A9 residue 30 LYS Chi-restraints excluded: chain A9 residue 39 VAL Chi-restraints excluded: chain D9 residue 13 GLU Chi-restraints excluded: chain D9 residue 22 GLU Chi-restraints excluded: chain D9 residue 48 VAL Chi-restraints excluded: chain D9 residue 66 ASP Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1209 optimal weight: 10.0000 chunk 1622 optimal weight: 10.0000 chunk 466 optimal weight: 8.9990 chunk 1404 optimal weight: 10.0000 chunk 224 optimal weight: 20.0000 chunk 423 optimal weight: 10.0000 chunk 1525 optimal weight: 9.9990 chunk 638 optimal weight: 30.0000 chunk 1566 optimal weight: 30.0000 chunk 193 optimal weight: 10.0000 chunk 281 optimal weight: 5.9990 overall best weight: 8.9994 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: BI 85 HIS CN 58 ASN CY 58 ASN Ci 58 ASN Cs 58 ASN C3 58 ASN C8 58 ASN Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3406 r_free = 0.3406 target = 0.134142 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 39)----------------| | r_work = 0.3313 r_free = 0.3313 target = 0.126987 restraints weight = 172555.416| |-----------------------------------------------------------------------------| r_work (start): 0.3307 rms_B_bonded: 0.66 r_work: 0.3247 rms_B_bonded: 0.99 restraints_weight: 0.5000 r_work: 0.3156 rms_B_bonded: 1.85 restraints_weight: 0.2500 r_work (final): 0.3156 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8588 moved from start: 0.1559 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.049 151920 Z= 0.381 Angle : 0.711 9.089 205800 Z= 0.372 Chirality : 0.047 0.140 24900 Planarity : 0.005 0.048 26760 Dihedral : 5.096 20.939 22260 Min Nonbonded Distance : 2.076 Molprobity Statistics. All-atom Clashscore : 5.64 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.10 % Favored : 97.90 % Rotamer: Outliers : 4.29 % Allowed : 24.35 % Favored : 71.36 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.35 (0.06), residues: 20340 helix: 0.73 (0.06), residues: 6240 sheet: 0.88 (0.07), residues: 6000 loop : -0.57 (0.07), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.049 0.004 TRPAI 28 HIS 0.006 0.001 HISBh 79 PHE 0.008 0.002 PHEDO 40 TYR 0.011 0.002 TYRCG 45 ARG 0.006 0.001 ARGCs 62 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 142080.73 seconds wall clock time: 2411 minutes 58.47 seconds (144718.47 seconds total)