Starting phenix.real_space_refine on Wed Mar 20 07:29:04 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6qn1_4595/03_2024/6qn1_4595.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6qn1_4595/03_2024/6qn1_4595.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.28 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6qn1_4595/03_2024/6qn1_4595.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6qn1_4595/03_2024/6qn1_4595.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6qn1_4595/03_2024/6qn1_4595.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6qn1_4595/03_2024/6qn1_4595.pdb" } resolution = 3.28 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= 0.000 sd= 0.017 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 1020 5.16 5 C 88020 2.51 5 N 24900 2.21 5 O 27540 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "AA ARG 20": "NH1" <-> "NH2" Residue "AA ARG 29": "NH1" <-> "NH2" Residue "AA ARG 83": "NH1" <-> "NH2" Residue "AB ARG 74": "NH1" <-> "NH2" Residue "AC GLU 35": "OE1" <-> "OE2" Residue "AC GLU 62": "OE1" <-> "OE2" Residue "AC ARG 74": "NH1" <-> "NH2" Residue "AC ARG 78": "NH1" <-> "NH2" Residue "AD GLU 30": "OE1" <-> "OE2" Residue "AD ARG 74": "NH1" <-> "NH2" Residue "AE ARG 20": "NH1" <-> "NH2" Residue "AE ARG 29": "NH1" <-> "NH2" Residue "AE ARG 83": "NH1" <-> "NH2" Residue "AF ARG 74": "NH1" <-> "NH2" Residue "AG GLU 35": "OE1" <-> "OE2" Residue "AG GLU 62": "OE1" <-> "OE2" Residue "AG ARG 74": "NH1" <-> "NH2" Residue "AG ARG 78": "NH1" <-> "NH2" Residue "AH GLU 30": "OE1" <-> "OE2" Residue "AH ARG 74": "NH1" <-> "NH2" Residue "AI ARG 20": "NH1" <-> "NH2" Residue "AI ARG 29": "NH1" <-> "NH2" Residue "AI ARG 83": "NH1" <-> "NH2" Residue "AJ ARG 74": "NH1" <-> "NH2" Residue "AK GLU 35": "OE1" <-> "OE2" Residue "AK GLU 62": "OE1" <-> "OE2" Residue "AK ARG 74": "NH1" <-> "NH2" Residue "AK ARG 78": "NH1" <-> "NH2" Residue "AL ARG 74": "NH1" <-> "NH2" Residue "AM ARG 20": "NH1" <-> "NH2" Residue "AM ARG 29": "NH1" <-> "NH2" Residue "AM ARG 83": "NH1" <-> "NH2" Residue "AN ARG 74": "NH1" <-> "NH2" Residue "AO GLU 30": "OE1" <-> "OE2" Residue "AO GLU 35": "OE1" <-> "OE2" Residue "AO GLU 62": "OE1" <-> "OE2" Residue "AO ARG 74": "NH1" <-> "NH2" Residue "AO ARG 78": "NH1" <-> "NH2" Residue "AP GLU 30": "OE1" <-> "OE2" Residue "AP ARG 74": "NH1" <-> "NH2" Residue "AQ ARG 20": "NH1" <-> "NH2" Residue "AQ ARG 29": "NH1" <-> "NH2" Residue "AQ ARG 83": "NH1" <-> "NH2" Residue "AR GLU 30": "OE1" <-> "OE2" Residue "AR ARG 74": "NH1" <-> "NH2" Residue "AS GLU 3": "OE1" <-> "OE2" Residue "AS GLU 35": "OE1" <-> "OE2" Residue "AS GLU 62": "OE1" <-> "OE2" Residue "AS ARG 74": "NH1" <-> "NH2" Residue "AS ARG 78": "NH1" <-> "NH2" Residue "AT GLU 30": "OE1" <-> "OE2" Residue "AT ARG 74": "NH1" <-> "NH2" Residue "AU ARG 20": "NH1" <-> "NH2" Residue "AU ARG 29": "NH1" <-> "NH2" Residue "AU ARG 83": "NH1" <-> "NH2" Residue "AV ARG 74": "NH1" <-> "NH2" Residue "AW ARG 74": "NH1" <-> "NH2" Residue "AW ARG 78": "NH1" <-> "NH2" Residue "AX GLU 30": "OE1" <-> "OE2" Residue "AX ARG 74": "NH1" <-> "NH2" Residue "AY ARG 20": "NH1" <-> "NH2" Residue "AY ARG 29": "NH1" <-> "NH2" Residue "AY ARG 83": "NH1" <-> "NH2" Residue "AZ ARG 74": "NH1" <-> "NH2" Residue "BA GLU 30": "OE1" <-> "OE2" Residue "BA GLU 35": "OE1" <-> "OE2" Residue "BA GLU 62": "OE1" <-> "OE2" Residue "BA ARG 74": "NH1" <-> "NH2" Residue "BA ARG 78": "NH1" <-> "NH2" Residue "BB GLU 30": "OE1" <-> "OE2" Residue "BB ARG 74": "NH1" <-> "NH2" Residue "BC ARG 20": "NH1" <-> "NH2" Residue "BC ARG 29": "NH1" <-> "NH2" Residue "BC ARG 83": "NH1" <-> "NH2" Residue "BD ARG 74": "NH1" <-> "NH2" Residue "BE GLU 30": "OE1" <-> "OE2" Residue "BE GLU 35": "OE1" <-> "OE2" Residue "BE ARG 74": "NH1" <-> "NH2" Residue "BE ARG 78": "NH1" <-> "NH2" Residue "BF GLU 30": "OE1" <-> "OE2" Residue "BF ARG 74": "NH1" <-> "NH2" Residue "BG ARG 20": "NH1" <-> "NH2" Residue "BG ARG 29": "NH1" <-> "NH2" Residue "BG ARG 83": "NH1" <-> "NH2" Residue "BH ARG 74": "NH1" <-> "NH2" Residue "BI GLU 62": "OE1" <-> "OE2" Residue "BI ARG 74": "NH1" <-> "NH2" Residue "BI ARG 78": "NH1" <-> "NH2" Residue "BJ GLU 30": "OE1" <-> "OE2" Residue "BJ ARG 74": "NH1" <-> "NH2" Residue "BK ARG 20": "NH1" <-> "NH2" Residue "BK ARG 29": "NH1" <-> "NH2" Residue "BK ARG 83": "NH1" <-> "NH2" Residue "BL ARG 74": "NH1" <-> "NH2" Residue "BM GLU 30": "OE1" <-> "OE2" Residue "BM GLU 35": "OE1" <-> "OE2" Residue "BM GLU 62": "OE1" <-> "OE2" Residue "BM ARG 74": "NH1" <-> "NH2" Residue "BM ARG 78": "NH1" <-> "NH2" Residue "BN ARG 74": "NH1" <-> "NH2" Residue "BO ARG 20": "NH1" <-> "NH2" Residue "BO ARG 29": "NH1" <-> "NH2" Residue "BO ARG 83": "NH1" <-> "NH2" Residue "BP ARG 74": "NH1" <-> "NH2" Residue "BQ GLU 62": "OE1" <-> "OE2" Residue "BQ ARG 74": "NH1" <-> "NH2" Residue "BQ ARG 78": "NH1" <-> "NH2" Residue "BR GLU 30": "OE1" <-> "OE2" Residue "BR ARG 74": "NH1" <-> "NH2" Residue "BS ARG 20": "NH1" <-> "NH2" Residue "BS ARG 29": "NH1" <-> "NH2" Residue "BS ARG 83": "NH1" <-> "NH2" Residue "BT ARG 74": "NH1" <-> "NH2" Residue "BU GLU 35": "OE1" <-> "OE2" Residue "BU GLU 62": "OE1" <-> "OE2" Residue "BU ARG 74": "NH1" <-> "NH2" Residue "BU ARG 78": "NH1" <-> "NH2" Residue "BV GLU 30": "OE1" <-> "OE2" Residue "BV ARG 74": "NH1" <-> "NH2" Residue "BW ARG 20": "NH1" <-> "NH2" Residue "BW ARG 29": "NH1" <-> "NH2" Residue "BW ARG 83": "NH1" <-> "NH2" Residue "BX ARG 74": "NH1" <-> "NH2" Residue "BY GLU 35": "OE1" <-> "OE2" Residue "BY GLU 62": "OE1" <-> "OE2" Residue "BY ARG 74": "NH1" <-> "NH2" Residue "BY ARG 78": "NH1" <-> "NH2" Residue "BZ GLU 30": "OE1" <-> "OE2" Residue "BZ ARG 74": "NH1" <-> "NH2" Residue "CA ARG 20": "NH1" <-> "NH2" Residue "CA ARG 29": "NH1" <-> "NH2" Residue "CA ARG 83": "NH1" <-> "NH2" Residue "CB ARG 74": "NH1" <-> "NH2" Residue "CC GLU 35": "OE1" <-> "OE2" Residue "CC GLU 62": "OE1" <-> "OE2" Residue "CC ARG 74": "NH1" <-> "NH2" Residue "CC ARG 78": "NH1" <-> "NH2" Residue "CD GLU 30": "OE1" <-> "OE2" Residue "CD ARG 74": "NH1" <-> "NH2" Residue "CE ARG 20": "NH1" <-> "NH2" Residue "CE ARG 29": "NH1" <-> "NH2" Residue "CE ARG 83": "NH1" <-> "NH2" Residue "CF ARG 74": "NH1" <-> "NH2" Residue "CG GLU 35": "OE1" <-> "OE2" Residue "CG GLU 62": "OE1" <-> "OE2" Residue "CG ARG 74": "NH1" <-> "NH2" Residue "CG ARG 78": "NH1" <-> "NH2" Residue "CH GLU 30": "OE1" <-> "OE2" Residue "CH ARG 74": "NH1" <-> "NH2" Residue "CI ARG 20": "NH1" <-> "NH2" Residue "CI ARG 29": "NH1" <-> "NH2" Residue "CI ARG 83": "NH1" <-> "NH2" Residue "CJ ARG 74": "NH1" <-> "NH2" Residue "CK GLU 35": "OE1" <-> "OE2" Residue "CK GLU 62": "OE1" <-> "OE2" Residue "CK ARG 74": "NH1" <-> "NH2" Residue "CK ARG 78": "NH1" <-> "NH2" Residue "CL GLU 30": "OE1" <-> "OE2" Residue "CL ARG 74": "NH1" <-> "NH2" Residue "CM ARG 20": "NH1" <-> "NH2" Residue "CM ARG 29": "NH1" <-> "NH2" Residue "CM ARG 83": "NH1" <-> "NH2" Residue "CN ARG 74": "NH1" <-> "NH2" Residue "CO GLU 35": "OE1" <-> "OE2" Residue "CO GLU 62": "OE1" <-> "OE2" Residue "CO ARG 74": "NH1" <-> "NH2" Residue "CO ARG 78": "NH1" <-> "NH2" Residue "CP GLU 30": "OE1" <-> "OE2" Residue "CP ARG 74": "NH1" <-> "NH2" Residue "CQ ARG 20": "NH1" <-> "NH2" Residue "CQ ARG 29": "NH1" <-> "NH2" Residue "CQ ARG 83": "NH1" <-> "NH2" Residue "CR ARG 74": "NH1" <-> "NH2" Residue "CS GLU 35": "OE1" <-> "OE2" Residue "CS GLU 62": "OE1" <-> "OE2" Residue "CS ARG 74": "NH1" <-> "NH2" Residue "CS ARG 78": "NH1" <-> "NH2" Residue "CT ARG 74": "NH1" <-> "NH2" Residue "CU ARG 20": "NH1" <-> "NH2" Residue "CU ARG 29": "NH1" <-> "NH2" Residue "CU ARG 83": "NH1" <-> "NH2" Residue "CV ARG 74": "NH1" <-> "NH2" Residue "CW GLU 62": "OE1" <-> "OE2" Residue "CW ARG 74": "NH1" <-> "NH2" Residue "CW ARG 78": "NH1" <-> "NH2" Residue "CX GLU 30": "OE1" <-> "OE2" Residue "CX ARG 74": "NH1" <-> "NH2" Residue "CY ARG 20": "NH1" <-> "NH2" Residue "CY ARG 29": "NH1" <-> "NH2" Residue "CY ARG 83": "NH1" <-> "NH2" Residue "CZ GLU 30": "OE1" <-> "OE2" Residue "CZ ARG 74": "NH1" <-> "NH2" Residue "DA GLU 35": "OE1" <-> "OE2" Residue "DA ARG 74": "NH1" <-> "NH2" Residue "DA ARG 78": "NH1" <-> "NH2" Residue "DB GLU 30": "OE1" <-> "OE2" Residue "DB ARG 74": "NH1" <-> "NH2" Residue "DC ARG 20": "NH1" <-> "NH2" Residue "DC ARG 29": "NH1" <-> "NH2" Residue "DC ARG 83": "NH1" <-> "NH2" Residue "DD ARG 74": "NH1" <-> "NH2" Residue "DE GLU 35": "OE1" <-> "OE2" Residue "DE GLU 62": "OE1" <-> "OE2" Residue "DE ARG 74": "NH1" <-> "NH2" Residue "DE ARG 78": "NH1" <-> "NH2" Residue "DF GLU 30": "OE1" <-> "OE2" Residue "DF ARG 74": "NH1" <-> "NH2" Residue "DG ARG 20": "NH1" <-> "NH2" Residue "DG ARG 29": "NH1" <-> "NH2" Residue "DG ARG 83": "NH1" <-> "NH2" Residue "DH ARG 74": "NH1" <-> "NH2" Residue "DI GLU 35": "OE1" <-> "OE2" Residue "DI GLU 62": "OE1" <-> "OE2" Residue "DI ARG 74": "NH1" <-> "NH2" Residue "DI ARG 78": "NH1" <-> "NH2" Residue "DJ ARG 74": "NH1" <-> "NH2" Residue "DK ARG 20": "NH1" <-> "NH2" Residue "DK ARG 29": "NH1" <-> "NH2" Residue "DK ARG 83": "NH1" <-> "NH2" Residue "DL ARG 74": "NH1" <-> "NH2" Residue "DM GLU 35": "OE1" <-> "OE2" Residue "DM ARG 74": "NH1" <-> "NH2" Residue "DM ARG 78": "NH1" <-> "NH2" Residue "DN GLU 30": "OE1" <-> "OE2" Residue "DN ARG 74": "NH1" <-> "NH2" Residue "DO ARG 20": "NH1" <-> "NH2" Residue "DO ARG 29": "NH1" <-> "NH2" Residue "DO ARG 83": "NH1" <-> "NH2" Residue "DP GLU 30": "OE1" <-> "OE2" Residue "DP ARG 74": "NH1" <-> "NH2" Residue "DQ GLU 30": "OE1" <-> "OE2" Residue "DQ GLU 35": "OE1" <-> "OE2" Residue "DQ ARG 74": "NH1" <-> "NH2" Residue "DQ ARG 78": "NH1" <-> "NH2" Residue "DR GLU 30": "OE1" <-> "OE2" Residue "DR ARG 74": "NH1" <-> "NH2" Residue "DS ARG 20": "NH1" <-> "NH2" Residue "DS ARG 29": "NH1" <-> "NH2" Residue "DS ARG 83": "NH1" <-> "NH2" Residue "DT ARG 74": "NH1" <-> "NH2" Residue "DU GLU 35": "OE1" <-> "OE2" Residue "DU GLU 62": "OE1" <-> "OE2" Residue "DU ARG 74": "NH1" <-> "NH2" Residue "DU ARG 78": "NH1" <-> "NH2" Residue "DV GLU 30": "OE1" <-> "OE2" Residue "DV ARG 74": "NH1" <-> "NH2" Residue "DW ARG 20": "NH1" <-> "NH2" Residue "DW ARG 29": "NH1" <-> "NH2" Residue "DW ARG 83": "NH1" <-> "NH2" Residue "DX ARG 74": "NH1" <-> "NH2" Residue "DY GLU 35": "OE1" <-> "OE2" Residue "DY GLU 62": "OE1" <-> "OE2" Residue "DY ARG 74": "NH1" <-> "NH2" Residue "DY ARG 78": "NH1" <-> "NH2" Residue "DZ GLU 30": "OE1" <-> "OE2" Residue "DZ ARG 74": "NH1" <-> "NH2" Residue "EA ARG 20": "NH1" <-> "NH2" Residue "EA ARG 29": "NH1" <-> "NH2" Residue "EA ARG 83": "NH1" <-> "NH2" Residue "EB ARG 74": "NH1" <-> "NH2" Residue "EC GLU 35": "OE1" <-> "OE2" Residue "EC ARG 74": "NH1" <-> "NH2" Residue "EC ARG 78": "NH1" <-> "NH2" Residue "ED GLU 30": "OE1" <-> "OE2" Residue "ED ARG 74": "NH1" <-> "NH2" Residue "EE ARG 20": "NH1" <-> "NH2" Residue "EE ARG 29": "NH1" <-> "NH2" Residue "EE ARG 83": "NH1" <-> "NH2" Residue "EF ARG 74": "NH1" <-> "NH2" Residue "EG GLU 35": "OE1" <-> "OE2" Residue "EG GLU 62": "OE1" <-> "OE2" Residue "EG ARG 74": "NH1" <-> "NH2" Residue "EG ARG 78": "NH1" <-> "NH2" Residue "EH GLU 30": "OE1" <-> "OE2" Residue "EH ARG 74": "NH1" <-> "NH2" Residue "EI ARG 20": "NH1" <-> "NH2" Residue "EI ARG 29": "NH1" <-> "NH2" Residue "EI ARG 83": "NH1" <-> "NH2" Residue "EJ ARG 74": "NH1" <-> "NH2" Residue "EK GLU 62": "OE1" <-> "OE2" Residue "EK ARG 74": "NH1" <-> "NH2" Residue "EK ARG 78": "NH1" <-> "NH2" Residue "EL ARG 74": "NH1" <-> "NH2" Residue "EM ARG 20": "NH1" <-> "NH2" Residue "EM ARG 29": "NH1" <-> "NH2" Residue "EM ARG 83": "NH1" <-> "NH2" Residue "EN ARG 74": "NH1" <-> "NH2" Residue "EO GLU 3": "OE1" <-> "OE2" Residue "EO GLU 35": "OE1" <-> "OE2" Residue "EO GLU 62": "OE1" <-> "OE2" Residue "EO ARG 74": "NH1" <-> "NH2" Residue "EO ARG 78": "NH1" <-> "NH2" Residue "EP GLU 30": "OE1" <-> "OE2" Residue "EP ARG 74": "NH1" <-> "NH2" Residue "EQ ARG 20": "NH1" <-> "NH2" Residue "EQ ARG 29": "NH1" <-> "NH2" Residue "EQ ARG 83": "NH1" <-> "NH2" Residue "ER ARG 74": "NH1" <-> "NH2" Residue "ES GLU 30": "OE1" <-> "OE2" Residue "ES GLU 35": "OE1" <-> "OE2" Residue "ES GLU 62": "OE1" <-> "OE2" Residue "ES ARG 74": "NH1" <-> "NH2" Residue "ES ARG 78": "NH1" <-> "NH2" Residue "ET GLU 30": "OE1" <-> "OE2" Residue "ET ARG 74": "NH1" <-> "NH2" Residue "EU ARG 20": "NH1" <-> "NH2" Residue "EU ARG 29": "NH1" <-> "NH2" Residue "EU ARG 83": "NH1" <-> "NH2" Residue "EV ARG 74": "NH1" <-> "NH2" Residue "EW GLU 30": "OE1" <-> "OE2" Residue "EW GLU 35": "OE1" <-> "OE2" Residue "EW ARG 74": "NH1" <-> "NH2" Residue "EW ARG 78": "NH1" <-> "NH2" Residue "EX GLU 30": "OE1" <-> "OE2" Residue "EX ARG 74": "NH1" <-> "NH2" Residue "EY ARG 20": "NH1" <-> "NH2" Residue "EY ARG 29": "NH1" <-> "NH2" Residue "EY ARG 83": "NH1" <-> "NH2" Residue "EZ ARG 74": "NH1" <-> "NH2" Residue "FA GLU 35": "OE1" <-> "OE2" Residue "FA ARG 74": "NH1" <-> "NH2" Residue "FA ARG 78": "NH1" <-> "NH2" Residue "FB GLU 30": "OE1" <-> "OE2" Residue "FB ARG 74": "NH1" <-> "NH2" Residue "FC ARG 20": "NH1" <-> "NH2" Residue "FC ARG 29": "NH1" <-> "NH2" Residue "FC ARG 83": "NH1" <-> "NH2" Residue "FD ARG 74": "NH1" <-> "NH2" Residue "FE GLU 35": "OE1" <-> "OE2" Residue "FE GLU 62": "OE1" <-> "OE2" Residue "FE ARG 74": "NH1" <-> "NH2" Residue "FE ARG 78": "NH1" <-> "NH2" Residue "FF GLU 30": "OE1" <-> "OE2" Residue "FF ARG 74": "NH1" <-> "NH2" Residue "FG ARG 20": "NH1" <-> "NH2" Residue "FG ARG 29": "NH1" <-> "NH2" Residue "FG ARG 83": "NH1" <-> "NH2" Residue "FH ARG 74": "NH1" <-> "NH2" Residue "FI GLU 30": "OE1" <-> "OE2" Residue "FI GLU 35": "OE1" <-> "OE2" Residue "FI GLU 62": "OE1" <-> "OE2" Residue "FI ARG 74": "NH1" <-> "NH2" Residue "FI ARG 78": "NH1" <-> "NH2" Residue "FJ ARG 74": "NH1" <-> "NH2" Residue "FK ARG 20": "NH1" <-> "NH2" Residue "FK ARG 29": "NH1" <-> "NH2" Residue "FK ARG 83": "NH1" <-> "NH2" Residue "FL ARG 74": "NH1" <-> "NH2" Residue "FM ASP 58": "OD1" <-> "OD2" Residue "FM GLU 62": "OE1" <-> "OE2" Residue "FM ARG 74": "NH1" <-> "NH2" Residue "FM ARG 78": "NH1" <-> "NH2" Residue "FN GLU 30": "OE1" <-> "OE2" Residue "FN ARG 74": "NH1" <-> "NH2" Residue "FO ARG 20": "NH1" <-> "NH2" Residue "FO ARG 29": "NH1" <-> "NH2" Residue "FO ARG 83": "NH1" <-> "NH2" Residue "FP ARG 74": "NH1" <-> "NH2" Residue "FQ GLU 35": "OE1" <-> "OE2" Residue "FQ GLU 62": "OE1" <-> "OE2" Residue "FQ ARG 74": "NH1" <-> "NH2" Residue "FQ ARG 78": "NH1" <-> "NH2" Residue "FR GLU 30": "OE1" <-> "OE2" Residue "FR ARG 74": "NH1" <-> "NH2" Residue "FS ARG 20": "NH1" <-> "NH2" Residue "FS ARG 29": "NH1" <-> "NH2" Residue "FS ARG 83": "NH1" <-> "NH2" Residue "FT ARG 74": "NH1" <-> "NH2" Residue "FU GLU 35": "OE1" <-> "OE2" Residue "FU GLU 62": "OE1" <-> "OE2" Residue "FU ARG 74": "NH1" <-> "NH2" Residue "FU ARG 78": "NH1" <-> "NH2" Residue "FV GLU 30": "OE1" <-> "OE2" Residue "FV ARG 74": "NH1" <-> "NH2" Residue "FW ARG 20": "NH1" <-> "NH2" Residue "FW ARG 29": "NH1" <-> "NH2" Residue "FW ARG 83": "NH1" <-> "NH2" Residue "FX ARG 74": "NH1" <-> "NH2" Residue "FY GLU 35": "OE1" <-> "OE2" Residue "FY GLU 62": "OE1" <-> "OE2" Residue "FY ARG 74": "NH1" <-> "NH2" Residue "FY ARG 78": "NH1" <-> "NH2" Residue "FZ GLU 30": "OE1" <-> "OE2" Residue "FZ ARG 74": "NH1" <-> "NH2" Residue "GA ARG 20": "NH1" <-> "NH2" Residue "GA ARG 29": "NH1" <-> "NH2" Residue "GA ARG 83": "NH1" <-> "NH2" Residue "GB ARG 74": "NH1" <-> "NH2" Residue "GC GLU 35": "OE1" <-> "OE2" Residue "GC GLU 62": "OE1" <-> "OE2" Residue "GC ARG 74": "NH1" <-> "NH2" Residue "GC ARG 78": "NH1" <-> "NH2" Residue "GD GLU 30": "OE1" <-> "OE2" Residue "GD ARG 74": "NH1" <-> "NH2" Residue "GE ARG 20": "NH1" <-> "NH2" Residue "GE ARG 29": "NH1" <-> "NH2" Residue "GE ARG 83": "NH1" <-> "NH2" Residue "GF ARG 74": "NH1" <-> "NH2" Residue "GG GLU 35": "OE1" <-> "OE2" Residue "GG GLU 62": "OE1" <-> "OE2" Residue "GG ARG 74": "NH1" <-> "NH2" Residue "GG ARG 78": "NH1" <-> "NH2" Residue "GH GLU 30": "OE1" <-> "OE2" Residue "GH ARG 74": "NH1" <-> "NH2" Residue "GI ARG 20": "NH1" <-> "NH2" Residue "GI ARG 29": "NH1" <-> "NH2" Residue "GI ARG 83": "NH1" <-> "NH2" Residue "GJ ARG 74": "NH1" <-> "NH2" Residue "GK GLU 62": "OE1" <-> "OE2" Residue "GK ARG 74": "NH1" <-> "NH2" Residue "GK ARG 78": "NH1" <-> "NH2" Residue "GL GLU 30": "OE1" <-> "OE2" Residue "GL ARG 74": "NH1" <-> "NH2" Residue "GM ARG 20": "NH1" <-> "NH2" Residue "GM ARG 29": "NH1" <-> "NH2" Residue "GM ARG 83": "NH1" <-> "NH2" Residue "GN ARG 74": "NH1" <-> "NH2" Residue "GO GLU 62": "OE1" <-> "OE2" Residue "GO ARG 74": "NH1" <-> "NH2" Residue "GO ARG 78": "NH1" <-> "NH2" Residue "GP GLU 30": "OE1" <-> "OE2" Residue "GP ARG 74": "NH1" <-> "NH2" Residue "GQ ARG 20": "NH1" <-> "NH2" Residue "GQ ARG 29": "NH1" <-> "NH2" Residue "GQ ARG 83": "NH1" <-> "NH2" Residue "GR ARG 74": "NH1" <-> "NH2" Residue "GS GLU 35": "OE1" <-> "OE2" Residue "GS GLU 62": "OE1" <-> "OE2" Residue "GS ARG 74": "NH1" <-> "NH2" Residue "GS ARG 78": "NH1" <-> "NH2" Residue "GT GLU 30": "OE1" <-> "OE2" Residue "GT ARG 74": "NH1" <-> "NH2" Residue "GU ARG 20": "NH1" <-> "NH2" Residue "GU ARG 29": "NH1" <-> "NH2" Residue "GU ARG 83": "NH1" <-> "NH2" Residue "GV ARG 74": "NH1" <-> "NH2" Residue "GW GLU 3": "OE1" <-> "OE2" Residue "GW GLU 35": "OE1" <-> "OE2" Residue "GW GLU 62": "OE1" <-> "OE2" Residue "GW ARG 74": "NH1" <-> "NH2" Residue "GW ARG 78": "NH1" <-> "NH2" Residue "GX GLU 30": "OE1" <-> "OE2" Residue "GX ARG 74": "NH1" <-> "NH2" Residue "GY ARG 20": "NH1" <-> "NH2" Residue "GY ARG 29": "NH1" <-> "NH2" Residue "GY ARG 83": "NH1" <-> "NH2" Residue "GZ ARG 74": "NH1" <-> "NH2" Residue "HA GLU 35": "OE1" <-> "OE2" Residue "HA GLU 62": "OE1" <-> "OE2" Residue "HA ARG 74": "NH1" <-> "NH2" Residue "HA ARG 78": "NH1" <-> "NH2" Residue "HB GLU 30": "OE1" <-> "OE2" Residue "HB ARG 74": "NH1" <-> "NH2" Residue "HC ARG 20": "NH1" <-> "NH2" Residue "HC ARG 29": "NH1" <-> "NH2" Residue "HC ARG 83": "NH1" <-> "NH2" Residue "HD ARG 74": "NH1" <-> "NH2" Residue "HE GLU 30": "OE1" <-> "OE2" Residue "HE GLU 35": "OE1" <-> "OE2" Residue "HE GLU 62": "OE1" <-> "OE2" Residue "HE ARG 74": "NH1" <-> "NH2" Residue "HE ARG 78": "NH1" <-> "NH2" Residue "HF ARG 74": "NH1" <-> "NH2" Residue "HG ARG 20": "NH1" <-> "NH2" Residue "HG ARG 29": "NH1" <-> "NH2" Residue "HG ARG 83": "NH1" <-> "NH2" Residue "HH ARG 74": "NH1" <-> "NH2" Residue "HI GLU 35": "OE1" <-> "OE2" Residue "HI ARG 74": "NH1" <-> "NH2" Residue "HI ARG 78": "NH1" <-> "NH2" Residue "HJ GLU 30": "OE1" <-> "OE2" Residue "HJ ARG 74": "NH1" <-> "NH2" Residue "HK ARG 20": "NH1" <-> "NH2" Residue "HK ARG 29": "NH1" <-> "NH2" Residue "HK ARG 83": "NH1" <-> "NH2" Residue "HL ARG 74": "NH1" <-> "NH2" Residue "HM GLU 3": "OE1" <-> "OE2" Residue "HM GLU 35": "OE1" <-> "OE2" Residue "HM GLU 62": "OE1" <-> "OE2" Residue "HM ARG 74": "NH1" <-> "NH2" Residue "HM ARG 78": "NH1" <-> "NH2" Residue "HN GLU 30": "OE1" <-> "OE2" Residue "HN ARG 74": "NH1" <-> "NH2" Residue "HO ARG 20": "NH1" <-> "NH2" Residue "HO ARG 29": "NH1" <-> "NH2" Residue "HO ARG 83": "NH1" <-> "NH2" Residue "HP ARG 74": "NH1" <-> "NH2" Residue "HQ GLU 35": "OE1" <-> "OE2" Residue "HQ GLU 62": "OE1" <-> "OE2" Residue "HQ ARG 74": "NH1" <-> "NH2" Residue "HQ ARG 78": "NH1" <-> "NH2" Residue "HR GLU 30": "OE1" <-> "OE2" Residue "HR ARG 74": "NH1" <-> "NH2" Residue "HS ARG 20": "NH1" <-> "NH2" Residue "HS ARG 29": "NH1" <-> "NH2" Residue "HS ARG 83": "NH1" <-> "NH2" Residue "HT GLU 30": "OE1" <-> "OE2" Residue "HT ARG 74": "NH1" <-> "NH2" Residue "HU GLU 30": "OE1" <-> "OE2" Residue "HU GLU 35": "OE1" <-> "OE2" Residue "HU GLU 62": "OE1" <-> "OE2" Residue "HU ARG 74": "NH1" <-> "NH2" Residue "HU ARG 78": "NH1" <-> "NH2" Residue "HV GLU 30": "OE1" <-> "OE2" Residue "HV ARG 74": "NH1" <-> "NH2" Residue "HW ARG 20": "NH1" <-> "NH2" Residue "HW ARG 29": "NH1" <-> "NH2" Residue "HW ARG 83": "NH1" <-> "NH2" Residue "HX ARG 74": "NH1" <-> "NH2" Residue "HY GLU 3": "OE1" <-> "OE2" Residue "HY GLU 62": "OE1" <-> "OE2" Residue "HY ARG 74": "NH1" <-> "NH2" Residue "HY ARG 78": "NH1" <-> "NH2" Residue "HZ GLU 30": "OE1" <-> "OE2" Residue "HZ ARG 74": "NH1" <-> "NH2" Residue "IA ARG 20": "NH1" <-> "NH2" Residue "IA ARG 29": "NH1" <-> "NH2" Residue "IA ARG 83": "NH1" <-> "NH2" Residue "IB ARG 74": "NH1" <-> "NH2" Residue "IC GLU 30": "OE1" <-> "OE2" Residue "IC GLU 35": "OE1" <-> "OE2" Residue "IC GLU 62": "OE1" <-> "OE2" Residue "IC ARG 74": "NH1" <-> "NH2" Residue "IC ARG 78": "NH1" <-> "NH2" Residue "ID GLU 30": "OE1" <-> "OE2" Residue "ID ARG 74": "NH1" <-> "NH2" Residue "IE ARG 20": "NH1" <-> "NH2" Residue "IE ARG 29": "NH1" <-> "NH2" Residue "IE ARG 83": "NH1" <-> "NH2" Residue "IF ARG 74": "NH1" <-> "NH2" Residue "IG GLU 35": "OE1" <-> "OE2" Residue "IG GLU 62": "OE1" <-> "OE2" Residue "IG ARG 74": "NH1" <-> "NH2" Residue "IG ARG 78": "NH1" <-> "NH2" Residue "IH GLU 30": "OE1" <-> "OE2" Residue "IH ARG 74": "NH1" <-> "NH2" Residue "II ARG 20": "NH1" <-> "NH2" Residue "II ARG 29": "NH1" <-> "NH2" Residue "II ARG 83": "NH1" <-> "NH2" Residue "IJ ARG 74": "NH1" <-> "NH2" Residue "IK GLU 35": "OE1" <-> "OE2" Residue "IK GLU 62": "OE1" <-> "OE2" Residue "IK ARG 74": "NH1" <-> "NH2" Residue "IK ARG 78": "NH1" <-> "NH2" Residue "IL ARG 74": "NH1" <-> "NH2" Residue "IM ARG 20": "NH1" <-> "NH2" Residue "IM ARG 29": "NH1" <-> "NH2" Residue "IM ARG 83": "NH1" <-> "NH2" Residue "IN ARG 74": "NH1" <-> "NH2" Residue "IO GLU 3": "OE1" <-> "OE2" Residue "IO GLU 35": "OE1" <-> "OE2" Residue "IO GLU 62": "OE1" <-> "OE2" Residue "IO ARG 74": "NH1" <-> "NH2" Residue "IO ARG 78": "NH1" <-> "NH2" Residue "IP GLU 30": "OE1" <-> "OE2" Residue "IP ARG 74": "NH1" <-> "NH2" Residue "IQ ARG 20": "NH1" <-> "NH2" Residue "IQ ARG 29": "NH1" <-> "NH2" Residue "IQ ARG 83": "NH1" <-> "NH2" Residue "IR ARG 74": "NH1" <-> "NH2" Residue "IS GLU 35": "OE1" <-> "OE2" Residue "IS GLU 62": "OE1" <-> "OE2" Residue "IS ARG 74": "NH1" <-> "NH2" Residue "IS ARG 78": "NH1" <-> "NH2" Residue "IT GLU 30": "OE1" <-> "OE2" Residue "IT ARG 74": "NH1" <-> "NH2" Residue "IU ARG 20": "NH1" <-> "NH2" Residue "IU ARG 29": "NH1" <-> "NH2" Residue "IU ARG 83": "NH1" <-> "NH2" Residue "IV ARG 74": "NH1" <-> "NH2" Residue "IW GLU 30": "OE1" <-> "OE2" Residue "IW GLU 35": "OE1" <-> "OE2" Residue "IW GLU 62": "OE1" <-> "OE2" Residue "IW ARG 74": "NH1" <-> "NH2" Residue "IW ARG 78": "NH1" <-> "NH2" Residue "IX GLU 30": "OE1" <-> "OE2" Residue "IX ARG 74": "NH1" <-> "NH2" Residue "IY ARG 20": "NH1" <-> "NH2" Residue "IY ARG 29": "NH1" <-> "NH2" Residue "IY ARG 83": "NH1" <-> "NH2" Residue "IZ ARG 74": "NH1" <-> "NH2" Residue "JA GLU 35": "OE1" <-> "OE2" Residue "JA GLU 62": "OE1" <-> "OE2" Residue "JA ARG 74": "NH1" <-> "NH2" Residue "JA ARG 78": "NH1" <-> "NH2" Residue "JB GLU 30": "OE1" <-> "OE2" Residue "JB ARG 74": "NH1" <-> "NH2" Residue "JC ARG 20": "NH1" <-> "NH2" Residue "JC ARG 29": "NH1" <-> "NH2" Residue "JC ARG 83": "NH1" <-> "NH2" Residue "JD ARG 74": "NH1" <-> "NH2" Residue "JE GLU 62": "OE1" <-> "OE2" Residue "JE ARG 74": "NH1" <-> "NH2" Residue "JE ARG 78": "NH1" <-> "NH2" Residue "JF GLU 30": "OE1" <-> "OE2" Residue "JF GLU 35": "OE1" <-> "OE2" Residue "JF ARG 74": "NH1" <-> "NH2" Time to flip residues: 0.37s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 141480 Number of models: 1 Model: "" Number of chains: 240 Chain: "AA" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "AB" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AC" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AD" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "AE" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "AF" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AG" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AH" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "AI" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "AJ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AK" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AL" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "AM" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "AN" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AO" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AP" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "AQ" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "AR" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AS" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AT" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "AU" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "AV" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AW" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "AX" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "AY" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "AZ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BA" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BB" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "BC" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "BD" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BE" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BF" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "BG" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "BH" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BI" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BJ" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "BK" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "BL" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BM" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BN" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "BO" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "BP" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BQ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BR" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "BS" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "BT" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BU" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BV" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "BW" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "BX" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BY" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "BZ" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "CA" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "CB" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CC" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CD" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "CE" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "CF" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CG" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CH" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "CI" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "CJ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CK" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CL" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "CM" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "CN" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CO" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CP" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "CQ" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "CR" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CS" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CT" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "CU" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "CV" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CW" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "CX" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "CY" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "CZ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DA" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DB" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "DC" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "DD" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DE" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DF" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "DG" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "DH" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DI" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DJ" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "DK" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "DL" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DM" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DN" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "DO" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "DP" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DQ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DR" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "DS" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "DT" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DU" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DV" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "DW" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "DX" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DY" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "DZ" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "EA" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "EB" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "EC" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "ED" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "EE" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "EF" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "EG" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "EH" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "EI" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "EJ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "EK" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "EL" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "EM" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "EN" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "EO" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "EP" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "EQ" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "ER" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "ES" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "ET" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "EU" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "EV" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "EW" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "EX" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "EY" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "EZ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FA" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FB" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "FC" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "FD" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FE" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FF" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "FG" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "FH" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FI" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FJ" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "FK" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "FL" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FM" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FN" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "FO" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "FP" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FQ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FR" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "FS" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "FT" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FU" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FV" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "FW" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "FX" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FY" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "FZ" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "GA" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "GB" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GC" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GD" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "GE" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "GF" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GG" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GH" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "GI" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "GJ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GK" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GL" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "GM" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "GN" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GO" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GP" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "GQ" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "GR" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GS" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GT" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "GU" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "GV" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GW" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "GX" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "GY" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "GZ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HA" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HB" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "HC" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "HD" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HE" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HF" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "HG" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "HH" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HI" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HJ" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "HK" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "HL" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HM" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HN" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "HO" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "HP" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HQ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HR" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "HS" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "HT" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HU" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HV" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "HW" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "HX" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HY" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "HZ" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "IA" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "IB" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "IC" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "ID" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "IE" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "IF" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "IG" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "IH" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "II" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "IJ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "IK" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "IL" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "IM" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "IN" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "IO" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "IP" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "IQ" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "IR" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "IS" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "IT" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "IU" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "IV" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "IW" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "IX" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "IY" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "IZ" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "JA" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "JB" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Chain: "JC" Number of atoms: 616 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 616 Classifications: {'peptide': 81} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain breaks: 1 Unresolved non-hydrogen bonds: 18 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 16 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'TYR:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 10 Chain: "JD" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "JE" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 569 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 1, 'TRANS': 79} Chain: "JF" Number of atoms: 604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 604 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 1, 'TRANS': 84} Time building chain proxies: 53.91, per 1000 atoms: 0.38 Number of scatterers: 141480 At special positions: 0 Unit cell: (252.15, 252.15, 252.15, 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 1020 16.00 O 27540 8.00 N 24900 7.00 C 88020 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: 41.62 Conformation dependent library (CDL) restraints added in 20.2 seconds 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 35640 Finding SS restraints... Secondary structure from input PDB file: 420 helices and 240 sheets defined 33.4% alpha, 29.2% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 11.15 Creating SS restraints... Processing helix chain 'AB' and resid 12 through 27 removed outlier: 3.876A pdb=" N CYSAB 16 " --> pdb=" O GLYAB 12 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ALAAB 27 " --> pdb=" O METAB 23 " (cutoff:3.500A) Processing helix chain 'AB' and resid 49 through 68 removed outlier: 3.667A pdb=" N ASPAB 58 " --> pdb=" O ASNAB 54 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N SERAB 59 " --> pdb=" O ALAAB 55 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ARGAB 66 " --> pdb=" O GLUAB 62 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ILEAB 67 " --> pdb=" O ALAAB 63 " (cutoff:3.500A) Processing helix chain 'AC' and resid 12 through 27 removed outlier: 3.742A pdb=" N CYSAC 16 " --> pdb=" O GLYAC 12 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ALAAC 27 " --> pdb=" O METAC 23 " (cutoff:3.500A) Processing helix chain 'AC' and resid 49 through 68 removed outlier: 3.855A pdb=" N ILEAC 67 " --> pdb=" O ALAAC 63 " (cutoff:3.500A) Processing helix chain 'AD' and resid 13 through 26 Processing helix chain 'AD' and resid 49 through 68 removed outlier: 3.833A pdb=" N ARGAD 66 " --> pdb=" O GLUAD 62 " (cutoff:3.500A) removed outlier: 4.024A pdb=" N ILEAD 67 " --> pdb=" O ALAAD 63 " (cutoff:3.500A) Processing helix chain 'AD' and resid 82 through 86 Processing helix chain 'AF' and resid 13 through 27 removed outlier: 3.684A pdb=" N ALAAF 27 " --> pdb=" O METAF 23 " (cutoff:3.500A) Processing helix chain 'AF' and resid 49 through 68 removed outlier: 3.653A pdb=" N ASPAF 58 " --> pdb=" O ASNAF 54 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N SERAF 59 " --> pdb=" O ALAAF 55 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N ARGAF 66 " --> pdb=" O GLUAF 62 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N ILEAF 67 " --> pdb=" O ALAAF 63 " (cutoff:3.500A) Processing helix chain 'AG' and resid 13 through 27 removed outlier: 3.836A pdb=" N ALAAG 27 " --> pdb=" O METAG 23 " (cutoff:3.500A) Processing helix chain 'AG' and resid 49 through 68 removed outlier: 3.847A pdb=" N ILEAG 67 " --> pdb=" O ALAAG 63 " (cutoff:3.500A) Processing helix chain 'AH' and resid 13 through 26 Processing helix chain 'AH' and resid 49 through 68 removed outlier: 3.871A pdb=" N ARGAH 66 " --> pdb=" O GLUAH 62 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N ILEAH 67 " --> pdb=" O ALAAH 63 " (cutoff:3.500A) Processing helix chain 'AH' and resid 82 through 86 Processing helix chain 'AJ' and resid 13 through 27 removed outlier: 3.754A pdb=" N ALAAJ 27 " --> pdb=" O METAJ 23 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 49 through 68 removed outlier: 3.679A pdb=" N ASPAJ 58 " --> pdb=" O ASNAJ 54 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N SERAJ 59 " --> pdb=" O ALAAJ 55 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N ARGAJ 66 " --> pdb=" O GLUAJ 62 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N ILEAJ 67 " --> pdb=" O ALAAJ 63 " (cutoff:3.500A) Processing helix chain 'AK' and resid 13 through 27 removed outlier: 3.818A pdb=" N ALAAK 27 " --> pdb=" O METAK 23 " (cutoff:3.500A) Processing helix chain 'AK' and resid 49 through 68 removed outlier: 3.513A pdb=" N GLUAK 62 " --> pdb=" O ASPAK 58 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ILEAK 67 " --> pdb=" O ALAAK 63 " (cutoff:3.500A) Processing helix chain 'AL' and resid 13 through 26 Processing helix chain 'AL' and resid 49 through 68 removed outlier: 3.791A pdb=" N ARGAL 66 " --> pdb=" O GLUAL 62 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N ILEAL 67 " --> pdb=" O ALAAL 63 " (cutoff:3.500A) Processing helix chain 'AL' and resid 82 through 86 Processing helix chain 'AN' and resid 12 through 27 removed outlier: 3.881A pdb=" N CYSAN 16 " --> pdb=" O GLYAN 12 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ALAAN 27 " --> pdb=" O METAN 23 " (cutoff:3.500A) Processing helix chain 'AN' and resid 49 through 68 removed outlier: 3.679A pdb=" N ASPAN 58 " --> pdb=" O ASNAN 54 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N SERAN 59 " --> pdb=" O ALAAN 55 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N GLUAN 62 " --> pdb=" O ASPAN 58 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N ARGAN 66 " --> pdb=" O GLUAN 62 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N ILEAN 67 " --> pdb=" O ALAAN 63 " (cutoff:3.500A) Processing helix chain 'AO' and resid 12 through 27 removed outlier: 3.721A pdb=" N CYSAO 16 " --> pdb=" O GLYAO 12 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N ALAAO 27 " --> pdb=" O METAO 23 " (cutoff:3.500A) Processing helix chain 'AO' and resid 49 through 68 removed outlier: 3.853A pdb=" N ILEAO 67 " --> pdb=" O ALAAO 63 " (cutoff:3.500A) Processing helix chain 'AP' and resid 13 through 26 Processing helix chain 'AP' and resid 49 through 68 removed outlier: 3.815A pdb=" N ARGAP 66 " --> pdb=" O GLUAP 62 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N ILEAP 67 " --> pdb=" O ALAAP 63 " (cutoff:3.500A) Processing helix chain 'AP' and resid 82 through 86 Processing helix chain 'AR' and resid 13 through 27 removed outlier: 3.686A pdb=" N ALAAR 27 " --> pdb=" O METAR 23 " (cutoff:3.500A) Processing helix chain 'AR' and resid 49 through 68 removed outlier: 3.625A pdb=" N ASPAR 58 " --> pdb=" O ASNAR 54 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N SERAR 59 " --> pdb=" O ALAAR 55 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N ARGAR 66 " --> pdb=" O GLUAR 62 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ILEAR 67 " --> pdb=" O ALAAR 63 " (cutoff:3.500A) Processing helix chain 'AS' and resid 12 through 27 removed outlier: 3.763A pdb=" N CYSAS 16 " --> pdb=" O GLYAS 12 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N ALAAS 27 " --> pdb=" O METAS 23 " (cutoff:3.500A) Processing helix chain 'AS' and resid 49 through 68 removed outlier: 3.860A pdb=" N ILEAS 67 " --> pdb=" O ALAAS 63 " (cutoff:3.500A) Processing helix chain 'AT' and resid 13 through 26 Processing helix chain 'AT' and resid 49 through 68 removed outlier: 3.856A pdb=" N ARGAT 66 " --> pdb=" O GLUAT 62 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ILEAT 67 " --> pdb=" O ALAAT 63 " (cutoff:3.500A) Processing helix chain 'AT' and resid 82 through 86 Processing helix chain 'AV' and resid 13 through 27 removed outlier: 3.696A pdb=" N ALAAV 27 " --> pdb=" O METAV 23 " (cutoff:3.500A) Processing helix chain 'AV' and resid 49 through 68 removed outlier: 3.693A pdb=" N ASPAV 58 " --> pdb=" O ASNAV 54 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N SERAV 59 " --> pdb=" O ALAAV 55 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ARGAV 66 " --> pdb=" O GLUAV 62 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ILEAV 67 " --> pdb=" O ALAAV 63 " (cutoff:3.500A) Processing helix chain 'AW' and resid 13 through 27 removed outlier: 3.839A pdb=" N ALAAW 27 " --> pdb=" O METAW 23 " (cutoff:3.500A) Processing helix chain 'AW' and resid 49 through 68 removed outlier: 3.867A pdb=" N ILEAW 67 " --> pdb=" O ALAAW 63 " (cutoff:3.500A) Processing helix chain 'AX' and resid 13 through 26 Processing helix chain 'AX' and resid 49 through 68 removed outlier: 3.781A pdb=" N ARGAX 66 " --> pdb=" O GLUAX 62 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N ILEAX 67 " --> pdb=" O ALAAX 63 " (cutoff:3.500A) Processing helix chain 'AX' and resid 82 through 86 Processing helix chain 'AZ' and resid 13 through 27 removed outlier: 3.746A pdb=" N ALAAZ 27 " --> pdb=" O METAZ 23 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 49 through 68 removed outlier: 3.672A pdb=" N ASPAZ 58 " --> pdb=" O ASNAZ 54 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N SERAZ 59 " --> pdb=" O ALAAZ 55 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARGAZ 66 " --> pdb=" O GLUAZ 62 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ILEAZ 67 " --> pdb=" O ALAAZ 63 " (cutoff:3.500A) Processing helix chain 'BA' and resid 13 through 27 removed outlier: 3.788A pdb=" N ALABA 27 " --> pdb=" O METBA 23 " (cutoff:3.500A) Processing helix chain 'BA' and resid 49 through 68 removed outlier: 3.864A pdb=" N ILEBA 67 " --> pdb=" O ALABA 63 " (cutoff:3.500A) Processing helix chain 'BB' and resid 13 through 26 Processing helix chain 'BB' and resid 49 through 68 removed outlier: 3.777A pdb=" N ARGBB 66 " --> pdb=" O GLUBB 62 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N ILEBB 67 " --> pdb=" O ALABB 63 " (cutoff:3.500A) Processing helix chain 'BB' and resid 82 through 86 Processing helix chain 'BD' and resid 12 through 27 removed outlier: 3.886A pdb=" N CYSBD 16 " --> pdb=" O GLYBD 12 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N ALABD 27 " --> pdb=" O METBD 23 " (cutoff:3.500A) Processing helix chain 'BD' and resid 49 through 68 removed outlier: 3.666A pdb=" N ASPBD 58 " --> pdb=" O ASNBD 54 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N SERBD 59 " --> pdb=" O ALABD 55 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N ARGBD 66 " --> pdb=" O GLUBD 62 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ILEBD 67 " --> pdb=" O ALABD 63 " (cutoff:3.500A) Processing helix chain 'BE' and resid 12 through 27 removed outlier: 3.741A pdb=" N CYSBE 16 " --> pdb=" O GLYBE 12 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N ALABE 27 " --> pdb=" O METBE 23 " (cutoff:3.500A) Processing helix chain 'BE' and resid 49 through 68 removed outlier: 3.857A pdb=" N ILEBE 67 " --> pdb=" O ALABE 63 " (cutoff:3.500A) Processing helix chain 'BF' and resid 13 through 26 Processing helix chain 'BF' and resid 49 through 68 removed outlier: 3.842A pdb=" N ARGBF 66 " --> pdb=" O GLUBF 62 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N ILEBF 67 " --> pdb=" O ALABF 63 " (cutoff:3.500A) Processing helix chain 'BF' and resid 82 through 86 Processing helix chain 'BH' and resid 13 through 27 removed outlier: 3.693A pdb=" N ALABH 27 " --> pdb=" O METBH 23 " (cutoff:3.500A) Processing helix chain 'BH' and resid 49 through 68 removed outlier: 3.613A pdb=" N ASPBH 58 " --> pdb=" O ASNBH 54 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N SERBH 59 " --> pdb=" O ALABH 55 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ARGBH 66 " --> pdb=" O GLUBH 62 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILEBH 67 " --> pdb=" O ALABH 63 " (cutoff:3.500A) Processing helix chain 'BI' and resid 12 through 27 removed outlier: 3.728A pdb=" N CYSBI 16 " --> pdb=" O GLYBI 12 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ALABI 27 " --> pdb=" O METBI 23 " (cutoff:3.500A) Processing helix chain 'BI' and resid 49 through 68 removed outlier: 3.852A pdb=" N ILEBI 67 " --> pdb=" O ALABI 63 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 13 through 26 Processing helix chain 'BJ' and resid 49 through 68 removed outlier: 3.791A pdb=" N ARGBJ 66 " --> pdb=" O GLUBJ 62 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N ILEBJ 67 " --> pdb=" O ALABJ 63 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 82 through 86 Processing helix chain 'BL' and resid 13 through 27 removed outlier: 3.743A pdb=" N ALABL 27 " --> pdb=" O METBL 23 " (cutoff:3.500A) Processing helix chain 'BL' and resid 49 through 68 removed outlier: 3.673A pdb=" N ASPBL 58 " --> pdb=" O ASNBL 54 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N SERBL 59 " --> pdb=" O ALABL 55 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N ARGBL 66 " --> pdb=" O GLUBL 62 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N ILEBL 67 " --> pdb=" O ALABL 63 " (cutoff:3.500A) Processing helix chain 'BM' and resid 13 through 27 removed outlier: 3.807A pdb=" N ALABM 27 " --> pdb=" O METBM 23 " (cutoff:3.500A) Processing helix chain 'BM' and resid 49 through 68 removed outlier: 3.876A pdb=" N ILEBM 67 " --> pdb=" O ALABM 63 " (cutoff:3.500A) Processing helix chain 'BN' and resid 13 through 26 Processing helix chain 'BN' and resid 49 through 68 removed outlier: 3.784A pdb=" N ARGBN 66 " --> pdb=" O GLUBN 62 " (cutoff:3.500A) removed outlier: 3.973A pdb=" N ILEBN 67 " --> pdb=" O ALABN 63 " (cutoff:3.500A) Processing helix chain 'BN' and resid 82 through 86 Processing helix chain 'BP' and resid 13 through 27 removed outlier: 3.649A pdb=" N ALABP 27 " --> pdb=" O METBP 23 " (cutoff:3.500A) Processing helix chain 'BP' and resid 49 through 68 removed outlier: 3.666A pdb=" N ASPBP 58 " --> pdb=" O ASNBP 54 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N SERBP 59 " --> pdb=" O ALABP 55 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ARGBP 66 " --> pdb=" O GLUBP 62 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N ILEBP 67 " --> pdb=" O ALABP 63 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 13 through 27 removed outlier: 3.811A pdb=" N ALABQ 27 " --> pdb=" O METBQ 23 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 49 through 68 removed outlier: 3.869A pdb=" N ILEBQ 67 " --> pdb=" O ALABQ 63 " (cutoff:3.500A) Processing helix chain 'BR' and resid 13 through 26 Processing helix chain 'BR' and resid 49 through 68 removed outlier: 3.800A pdb=" N ARGBR 66 " --> pdb=" O GLUBR 62 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N ILEBR 67 " --> pdb=" O ALABR 63 " (cutoff:3.500A) Processing helix chain 'BR' and resid 82 through 86 Processing helix chain 'BT' and resid 13 through 27 removed outlier: 3.693A pdb=" N ALABT 27 " --> pdb=" O METBT 23 " (cutoff:3.500A) Processing helix chain 'BT' and resid 49 through 68 removed outlier: 3.654A pdb=" N ASPBT 58 " --> pdb=" O ASNBT 54 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N SERBT 59 " --> pdb=" O ALABT 55 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N ARGBT 66 " --> pdb=" O GLUBT 62 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ILEBT 67 " --> pdb=" O ALABT 63 " (cutoff:3.500A) Processing helix chain 'BU' and resid 12 through 27 removed outlier: 3.783A pdb=" N CYSBU 16 " --> pdb=" O GLYBU 12 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N ALABU 27 " --> pdb=" O METBU 23 " (cutoff:3.500A) Processing helix chain 'BU' and resid 49 through 68 removed outlier: 3.534A pdb=" N GLUBU 62 " --> pdb=" O ASPBU 58 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N ILEBU 67 " --> pdb=" O ALABU 63 " (cutoff:3.500A) Processing helix chain 'BV' and resid 13 through 26 Processing helix chain 'BV' and resid 49 through 68 removed outlier: 3.811A pdb=" N ARGBV 66 " --> pdb=" O GLUBV 62 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ILEBV 67 " --> pdb=" O ALABV 63 " (cutoff:3.500A) Processing helix chain 'BV' and resid 82 through 86 Processing helix chain 'BX' and resid 13 through 27 removed outlier: 3.728A pdb=" N ALABX 27 " --> pdb=" O METBX 23 " (cutoff:3.500A) Processing helix chain 'BX' and resid 49 through 68 removed outlier: 3.642A pdb=" N ASPBX 58 " --> pdb=" O ASNBX 54 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N SERBX 59 " --> pdb=" O ALABX 55 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N ARGBX 66 " --> pdb=" O GLUBX 62 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N ILEBX 67 " --> pdb=" O ALABX 63 " (cutoff:3.500A) Processing helix chain 'BY' and resid 12 through 27 removed outlier: 3.744A pdb=" N CYSBY 16 " --> pdb=" O GLYBY 12 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N ALABY 27 " --> pdb=" O METBY 23 " (cutoff:3.500A) Processing helix chain 'BY' and resid 49 through 68 removed outlier: 3.861A pdb=" N ILEBY 67 " --> pdb=" O ALABY 63 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 13 through 26 Processing helix chain 'BZ' and resid 49 through 68 removed outlier: 3.759A pdb=" N ARGBZ 66 " --> pdb=" O GLUBZ 62 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N ILEBZ 67 " --> pdb=" O ALABZ 63 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 82 through 86 Processing helix chain 'CB' and resid 13 through 27 removed outlier: 3.755A pdb=" N ALACB 27 " --> pdb=" O METCB 23 " (cutoff:3.500A) Processing helix chain 'CB' and resid 49 through 68 removed outlier: 3.677A pdb=" N ASPCB 58 " --> pdb=" O ASNCB 54 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N SERCB 59 " --> pdb=" O ALACB 55 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N ARGCB 66 " --> pdb=" O GLUCB 62 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ILECB 67 " --> pdb=" O ALACB 63 " (cutoff:3.500A) Processing helix chain 'CC' and resid 13 through 27 removed outlier: 3.831A pdb=" N ALACC 27 " --> pdb=" O METCC 23 " (cutoff:3.500A) Processing helix chain 'CC' and resid 49 through 68 removed outlier: 3.535A pdb=" N GLUCC 62 " --> pdb=" O ASPCC 58 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ILECC 67 " --> pdb=" O ALACC 63 " (cutoff:3.500A) Processing helix chain 'CD' and resid 13 through 26 Processing helix chain 'CD' and resid 49 through 68 removed outlier: 3.793A pdb=" N ARGCD 66 " --> pdb=" O GLUCD 62 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ILECD 67 " --> pdb=" O ALACD 63 " (cutoff:3.500A) Processing helix chain 'CD' and resid 82 through 86 Processing helix chain 'CF' and resid 13 through 27 removed outlier: 3.658A pdb=" N ALACF 27 " --> pdb=" O METCF 23 " (cutoff:3.500A) Processing helix chain 'CF' and resid 49 through 68 removed outlier: 3.685A pdb=" N ASPCF 58 " --> pdb=" O ASNCF 54 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N SERCF 59 " --> pdb=" O ALACF 55 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ARGCF 66 " --> pdb=" O GLUCF 62 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N ILECF 67 " --> pdb=" O ALACF 63 " (cutoff:3.500A) Processing helix chain 'CG' and resid 13 through 27 removed outlier: 3.818A pdb=" N ALACG 27 " --> pdb=" O METCG 23 " (cutoff:3.500A) Processing helix chain 'CG' and resid 49 through 68 removed outlier: 3.863A pdb=" N ILECG 67 " --> pdb=" O ALACG 63 " (cutoff:3.500A) Processing helix chain 'CH' and resid 13 through 26 Processing helix chain 'CH' and resid 49 through 68 removed outlier: 3.845A pdb=" N ARGCH 66 " --> pdb=" O GLUCH 62 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N ILECH 67 " --> pdb=" O ALACH 63 " (cutoff:3.500A) Processing helix chain 'CH' and resid 82 through 86 Processing helix chain 'CJ' and resid 13 through 27 removed outlier: 3.728A pdb=" N ALACJ 27 " --> pdb=" O METCJ 23 " (cutoff:3.500A) Processing helix chain 'CJ' and resid 49 through 68 removed outlier: 3.639A pdb=" N ASPCJ 58 " --> pdb=" O ASNCJ 54 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N SERCJ 59 " --> pdb=" O ALACJ 55 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ARGCJ 66 " --> pdb=" O GLUCJ 62 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N ILECJ 67 " --> pdb=" O ALACJ 63 " (cutoff:3.500A) Processing helix chain 'CK' and resid 12 through 27 removed outlier: 3.745A pdb=" N CYSCK 16 " --> pdb=" O GLYCK 12 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALACK 27 " --> pdb=" O METCK 23 " (cutoff:3.500A) Processing helix chain 'CK' and resid 49 through 68 removed outlier: 3.856A pdb=" N ILECK 67 " --> pdb=" O ALACK 63 " (cutoff:3.500A) Processing helix chain 'CL' and resid 13 through 26 Processing helix chain 'CL' and resid 49 through 68 removed outlier: 3.785A pdb=" N ARGCL 66 " --> pdb=" O GLUCL 62 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N ILECL 67 " --> pdb=" O ALACL 63 " (cutoff:3.500A) Processing helix chain 'CL' and resid 82 through 86 Processing helix chain 'CN' and resid 13 through 27 removed outlier: 3.654A pdb=" N ALACN 27 " --> pdb=" O METCN 23 " (cutoff:3.500A) Processing helix chain 'CN' and resid 49 through 68 removed outlier: 3.641A pdb=" N ASPCN 58 " --> pdb=" O ASNCN 54 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N SERCN 59 " --> pdb=" O ALACN 55 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ARGCN 66 " --> pdb=" O GLUCN 62 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N ILECN 67 " --> pdb=" O ALACN 63 " (cutoff:3.500A) Processing helix chain 'CO' and resid 13 through 27 removed outlier: 3.824A pdb=" N ALACO 27 " --> pdb=" O METCO 23 " (cutoff:3.500A) Processing helix chain 'CO' and resid 49 through 68 removed outlier: 3.501A pdb=" N GLUCO 62 " --> pdb=" O ASPCO 58 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILECO 67 " --> pdb=" O ALACO 63 " (cutoff:3.500A) Processing helix chain 'CP' and resid 13 through 26 Processing helix chain 'CP' and resid 49 through 68 removed outlier: 3.868A pdb=" N ARGCP 66 " --> pdb=" O GLUCP 62 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N ILECP 67 " --> pdb=" O ALACP 63 " (cutoff:3.500A) Processing helix chain 'CP' and resid 82 through 86 Processing helix chain 'CR' and resid 12 through 27 removed outlier: 3.884A pdb=" N CYSCR 16 " --> pdb=" O GLYCR 12 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N ALACR 27 " --> pdb=" O METCR 23 " (cutoff:3.500A) Processing helix chain 'CR' and resid 49 through 68 removed outlier: 3.665A pdb=" N ASPCR 58 " --> pdb=" O ASNCR 54 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N SERCR 59 " --> pdb=" O ALACR 55 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N ARGCR 66 " --> pdb=" O GLUCR 62 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N ILECR 67 " --> pdb=" O ALACR 63 " (cutoff:3.500A) Processing helix chain 'CS' and resid 12 through 27 removed outlier: 3.713A pdb=" N CYSCS 16 " --> pdb=" O GLYCS 12 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N ALACS 27 " --> pdb=" O METCS 23 " (cutoff:3.500A) Processing helix chain 'CS' and resid 49 through 68 removed outlier: 3.856A pdb=" N ILECS 67 " --> pdb=" O ALACS 63 " (cutoff:3.500A) Processing helix chain 'CT' and resid 13 through 26 Processing helix chain 'CT' and resid 49 through 68 removed outlier: 3.828A pdb=" N ARGCT 66 " --> pdb=" O GLUCT 62 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N ILECT 67 " --> pdb=" O ALACT 63 " (cutoff:3.500A) Processing helix chain 'CT' and resid 80 through 86 Processing helix chain 'CV' and resid 12 through 27 removed outlier: 3.855A pdb=" N CYSCV 16 " --> pdb=" O GLYCV 12 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N ALACV 27 " --> pdb=" O METCV 23 " (cutoff:3.500A) Processing helix chain 'CV' and resid 49 through 68 removed outlier: 3.691A pdb=" N ASPCV 58 " --> pdb=" O ASNCV 54 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N SERCV 59 " --> pdb=" O ALACV 55 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N ARGCV 66 " --> pdb=" O GLUCV 62 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N ILECV 67 " --> pdb=" O ALACV 63 " (cutoff:3.500A) Processing helix chain 'CW' and resid 13 through 27 removed outlier: 3.823A pdb=" N ALACW 27 " --> pdb=" O METCW 23 " (cutoff:3.500A) Processing helix chain 'CW' and resid 49 through 68 removed outlier: 3.871A pdb=" N ILECW 67 " --> pdb=" O ALACW 63 " (cutoff:3.500A) Processing helix chain 'CX' and resid 13 through 26 Processing helix chain 'CX' and resid 49 through 68 removed outlier: 3.791A pdb=" N ARGCX 66 " --> pdb=" O GLUCX 62 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILECX 67 " --> pdb=" O ALACX 63 " (cutoff:3.500A) Processing helix chain 'CX' and resid 82 through 86 Processing helix chain 'CZ' and resid 12 through 27 removed outlier: 3.833A pdb=" N CYSCZ 16 " --> pdb=" O GLYCZ 12 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ALACZ 27 " --> pdb=" O METCZ 23 " (cutoff:3.500A) Processing helix chain 'CZ' and resid 49 through 68 removed outlier: 3.791A pdb=" N ARGCZ 66 " --> pdb=" O GLUCZ 62 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N ILECZ 67 " --> pdb=" O ALACZ 63 " (cutoff:3.500A) Processing helix chain 'DA' and resid 12 through 27 removed outlier: 3.745A pdb=" N CYSDA 16 " --> pdb=" O GLYDA 12 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ALADA 27 " --> pdb=" O METDA 23 " (cutoff:3.500A) Processing helix chain 'DA' and resid 49 through 68 removed outlier: 3.859A pdb=" N ILEDA 67 " --> pdb=" O ALADA 63 " (cutoff:3.500A) Processing helix chain 'DB' and resid 13 through 26 Processing helix chain 'DB' and resid 49 through 68 removed outlier: 3.785A pdb=" N ARGDB 66 " --> pdb=" O GLUDB 62 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ILEDB 67 " --> pdb=" O ALADB 63 " (cutoff:3.500A) Processing helix chain 'DB' and resid 82 through 86 Processing helix chain 'DD' and resid 13 through 27 removed outlier: 3.671A pdb=" N ALADD 27 " --> pdb=" O METDD 23 " (cutoff:3.500A) Processing helix chain 'DD' and resid 49 through 68 removed outlier: 3.644A pdb=" N ASPDD 58 " --> pdb=" O ASNDD 54 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N SERDD 59 " --> pdb=" O ALADD 55 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N ARGDD 66 " --> pdb=" O GLUDD 62 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N ILEDD 67 " --> pdb=" O ALADD 63 " (cutoff:3.500A) Processing helix chain 'DE' and resid 13 through 27 removed outlier: 3.854A pdb=" N ALADE 27 " --> pdb=" O METDE 23 " (cutoff:3.500A) Processing helix chain 'DE' and resid 49 through 68 removed outlier: 3.505A pdb=" N GLUDE 62 " --> pdb=" O ASPDE 58 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ILEDE 67 " --> pdb=" O ALADE 63 " (cutoff:3.500A) Processing helix chain 'DF' and resid 13 through 26 Processing helix chain 'DF' and resid 49 through 68 removed outlier: 3.864A pdb=" N ARGDF 66 " --> pdb=" O GLUDF 62 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ILEDF 67 " --> pdb=" O ALADF 63 " (cutoff:3.500A) Processing helix chain 'DF' and resid 80 through 86 Processing helix chain 'DH' and resid 12 through 27 removed outlier: 3.864A pdb=" N CYSDH 16 " --> pdb=" O GLYDH 12 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N ALADH 27 " --> pdb=" O METDH 23 " (cutoff:3.500A) Processing helix chain 'DH' and resid 49 through 68 removed outlier: 3.689A pdb=" N ASPDH 58 " --> pdb=" O ASNDH 54 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N SERDH 59 " --> pdb=" O ALADH 55 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N ARGDH 66 " --> pdb=" O GLUDH 62 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N ILEDH 67 " --> pdb=" O ALADH 63 " (cutoff:3.500A) Processing helix chain 'DI' and resid 13 through 27 removed outlier: 3.865A pdb=" N ALADI 27 " --> pdb=" O METDI 23 " (cutoff:3.500A) Processing helix chain 'DI' and resid 49 through 68 removed outlier: 3.533A pdb=" N GLUDI 62 " --> pdb=" O ASPDI 58 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N ILEDI 67 " --> pdb=" O ALADI 63 " (cutoff:3.500A) Processing helix chain 'DJ' and resid 13 through 26 Processing helix chain 'DJ' and resid 49 through 68 removed outlier: 3.793A pdb=" N ARGDJ 66 " --> pdb=" O GLUDJ 62 " (cutoff:3.500A) removed outlier: 4.034A pdb=" N ILEDJ 67 " --> pdb=" O ALADJ 63 " (cutoff:3.500A) Processing helix chain 'DJ' and resid 82 through 86 Processing helix chain 'DL' and resid 12 through 27 removed outlier: 3.882A pdb=" N CYSDL 16 " --> pdb=" O GLYDL 12 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ALADL 27 " --> pdb=" O METDL 23 " (cutoff:3.500A) Processing helix chain 'DL' and resid 49 through 68 removed outlier: 3.683A pdb=" N ASPDL 58 " --> pdb=" O ASNDL 54 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N SERDL 59 " --> pdb=" O ALADL 55 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N ARGDL 66 " --> pdb=" O GLUDL 62 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N ILEDL 67 " --> pdb=" O ALADL 63 " (cutoff:3.500A) Processing helix chain 'DM' and resid 12 through 27 removed outlier: 3.748A pdb=" N CYSDM 16 " --> pdb=" O GLYDM 12 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ALADM 27 " --> pdb=" O METDM 23 " (cutoff:3.500A) Processing helix chain 'DM' and resid 49 through 68 removed outlier: 3.855A pdb=" N ILEDM 67 " --> pdb=" O ALADM 63 " (cutoff:3.500A) Processing helix chain 'DN' and resid 13 through 26 Processing helix chain 'DN' and resid 49 through 68 removed outlier: 3.770A pdb=" N ARGDN 66 " --> pdb=" O GLUDN 62 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ILEDN 67 " --> pdb=" O ALADN 63 " (cutoff:3.500A) Processing helix chain 'DN' and resid 82 through 86 Processing helix chain 'DP' and resid 13 through 27 removed outlier: 3.730A pdb=" N ALADP 27 " --> pdb=" O METDP 23 " (cutoff:3.500A) Processing helix chain 'DP' and resid 49 through 68 removed outlier: 3.657A pdb=" N ASPDP 58 " --> pdb=" O ASNDP 54 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SERDP 59 " --> pdb=" O ALADP 55 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N ARGDP 66 " --> pdb=" O GLUDP 62 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N ILEDP 67 " --> pdb=" O ALADP 63 " (cutoff:3.500A) Processing helix chain 'DQ' and resid 13 through 27 removed outlier: 3.819A pdb=" N ALADQ 27 " --> pdb=" O METDQ 23 " (cutoff:3.500A) Processing helix chain 'DQ' and resid 49 through 68 removed outlier: 3.520A pdb=" N GLUDQ 62 " --> pdb=" O ASPDQ 58 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ILEDQ 67 " --> pdb=" O ALADQ 63 " (cutoff:3.500A) Processing helix chain 'DR' and resid 13 through 26 Processing helix chain 'DR' and resid 49 through 68 removed outlier: 3.778A pdb=" N ARGDR 66 " --> pdb=" O GLUDR 62 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N ILEDR 67 " --> pdb=" O ALADR 63 " (cutoff:3.500A) Processing helix chain 'DR' and resid 82 through 86 Processing helix chain 'DT' and resid 13 through 27 removed outlier: 3.687A pdb=" N ALADT 27 " --> pdb=" O METDT 23 " (cutoff:3.500A) Processing helix chain 'DT' and resid 49 through 68 removed outlier: 3.645A pdb=" N ASPDT 58 " --> pdb=" O ASNDT 54 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N SERDT 59 " --> pdb=" O ALADT 55 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N ARGDT 66 " --> pdb=" O GLUDT 62 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N ILEDT 67 " --> pdb=" O ALADT 63 " (cutoff:3.500A) Processing helix chain 'DU' and resid 13 through 27 removed outlier: 3.856A pdb=" N ALADU 27 " --> pdb=" O METDU 23 " (cutoff:3.500A) Processing helix chain 'DU' and resid 49 through 68 removed outlier: 3.530A pdb=" N GLUDU 62 " --> pdb=" O ASPDU 58 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ILEDU 67 " --> pdb=" O ALADU 63 " (cutoff:3.500A) Processing helix chain 'DV' and resid 13 through 26 Processing helix chain 'DV' and resid 49 through 68 removed outlier: 3.809A pdb=" N ARGDV 66 " --> pdb=" O GLUDV 62 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N ILEDV 67 " --> pdb=" O ALADV 63 " (cutoff:3.500A) Processing helix chain 'DV' and resid 82 through 86 Processing helix chain 'DX' and resid 12 through 27 removed outlier: 3.858A pdb=" N CYSDX 16 " --> pdb=" O GLYDX 12 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N ALADX 27 " --> pdb=" O METDX 23 " (cutoff:3.500A) Processing helix chain 'DX' and resid 49 through 68 removed outlier: 3.699A pdb=" N ASPDX 58 " --> pdb=" O ASNDX 54 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N SERDX 59 " --> pdb=" O ALADX 55 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N ARGDX 66 " --> pdb=" O GLUDX 62 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N ILEDX 67 " --> pdb=" O ALADX 63 " (cutoff:3.500A) Processing helix chain 'DY' and resid 13 through 27 removed outlier: 3.790A pdb=" N ALADY 27 " --> pdb=" O METDY 23 " (cutoff:3.500A) Processing helix chain 'DY' and resid 49 through 68 removed outlier: 3.865A pdb=" N ILEDY 67 " --> pdb=" O ALADY 63 " (cutoff:3.500A) Processing helix chain 'DZ' and resid 13 through 26 Processing helix chain 'DZ' and resid 49 through 68 removed outlier: 3.793A pdb=" N ARGDZ 66 " --> pdb=" O GLUDZ 62 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N ILEDZ 67 " --> pdb=" O ALADZ 63 " (cutoff:3.500A) Processing helix chain 'DZ' and resid 82 through 86 Processing helix chain 'EB' and resid 12 through 27 removed outlier: 3.891A pdb=" N CYSEB 16 " --> pdb=" O GLYEB 12 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N ALAEB 27 " --> pdb=" O METEB 23 " (cutoff:3.500A) Processing helix chain 'EB' and resid 49 through 68 removed outlier: 3.679A pdb=" N ASPEB 58 " --> pdb=" O ASNEB 54 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N SEREB 59 " --> pdb=" O ALAEB 55 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ARGEB 66 " --> pdb=" O GLUEB 62 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N ILEEB 67 " --> pdb=" O ALAEB 63 " (cutoff:3.500A) Processing helix chain 'EC' and resid 12 through 27 removed outlier: 3.736A pdb=" N CYSEC 16 " --> pdb=" O GLYEC 12 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N ALAEC 27 " --> pdb=" O METEC 23 " (cutoff:3.500A) Processing helix chain 'EC' and resid 49 through 68 removed outlier: 3.855A pdb=" N ILEEC 67 " --> pdb=" O ALAEC 63 " (cutoff:3.500A) Processing helix chain 'ED' and resid 13 through 26 Processing helix chain 'ED' and resid 49 through 68 removed outlier: 3.841A pdb=" N ARGED 66 " --> pdb=" O GLUED 62 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N ILEED 67 " --> pdb=" O ALAED 63 " (cutoff:3.500A) Processing helix chain 'ED' and resid 82 through 86 Processing helix chain 'EF' and resid 13 through 27 removed outlier: 3.666A pdb=" N ALAEF 27 " --> pdb=" O METEF 23 " (cutoff:3.500A) Processing helix chain 'EF' and resid 49 through 68 removed outlier: 3.650A pdb=" N ASPEF 58 " --> pdb=" O ASNEF 54 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N SEREF 59 " --> pdb=" O ALAEF 55 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N ARGEF 66 " --> pdb=" O GLUEF 62 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N ILEEF 67 " --> pdb=" O ALAEF 63 " (cutoff:3.500A) Processing helix chain 'EG' and resid 13 through 27 removed outlier: 3.845A pdb=" N ALAEG 27 " --> pdb=" O METEG 23 " (cutoff:3.500A) Processing helix chain 'EG' and resid 49 through 68 removed outlier: 3.845A pdb=" N ILEEG 67 " --> pdb=" O ALAEG 63 " (cutoff:3.500A) Processing helix chain 'EH' and resid 13 through 26 Processing helix chain 'EH' and resid 49 through 68 removed outlier: 3.831A pdb=" N ARGEH 66 " --> pdb=" O GLUEH 62 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ILEEH 67 " --> pdb=" O ALAEH 63 " (cutoff:3.500A) Processing helix chain 'EH' and resid 82 through 86 Processing helix chain 'EJ' and resid 13 through 27 removed outlier: 3.775A pdb=" N ALAEJ 27 " --> pdb=" O METEJ 23 " (cutoff:3.500A) Processing helix chain 'EJ' and resid 49 through 68 removed outlier: 3.685A pdb=" N ASPEJ 58 " --> pdb=" O ASNEJ 54 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N SEREJ 59 " --> pdb=" O ALAEJ 55 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N ARGEJ 66 " --> pdb=" O GLUEJ 62 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N ILEEJ 67 " --> pdb=" O ALAEJ 63 " (cutoff:3.500A) Processing helix chain 'EK' and resid 13 through 27 removed outlier: 3.822A pdb=" N ALAEK 27 " --> pdb=" O METEK 23 " (cutoff:3.500A) Processing helix chain 'EK' and resid 49 through 68 removed outlier: 3.518A pdb=" N GLUEK 62 " --> pdb=" O ASPEK 58 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N ILEEK 67 " --> pdb=" O ALAEK 63 " (cutoff:3.500A) Processing helix chain 'EL' and resid 13 through 26 Processing helix chain 'EL' and resid 49 through 68 removed outlier: 3.787A pdb=" N ARGEL 66 " --> pdb=" O GLUEL 62 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ILEEL 67 " --> pdb=" O ALAEL 63 " (cutoff:3.500A) Processing helix chain 'EL' and resid 82 through 86 Processing helix chain 'EN' and resid 13 through 27 removed outlier: 3.699A pdb=" N ALAEN 27 " --> pdb=" O METEN 23 " (cutoff:3.500A) Processing helix chain 'EN' and resid 49 through 68 removed outlier: 3.632A pdb=" N ASPEN 58 " --> pdb=" O ASNEN 54 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N SEREN 59 " --> pdb=" O ALAEN 55 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ARGEN 66 " --> pdb=" O GLUEN 62 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N ILEEN 67 " --> pdb=" O ALAEN 63 " (cutoff:3.500A) Processing helix chain 'EO' and resid 12 through 27 removed outlier: 3.753A pdb=" N CYSEO 16 " --> pdb=" O GLYEO 12 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ALAEO 27 " --> pdb=" O METEO 23 " (cutoff:3.500A) Processing helix chain 'EO' and resid 49 through 68 removed outlier: 3.865A pdb=" N ILEEO 67 " --> pdb=" O ALAEO 63 " (cutoff:3.500A) Processing helix chain 'EP' and resid 13 through 26 Processing helix chain 'EP' and resid 49 through 68 removed outlier: 3.772A pdb=" N ARGEP 66 " --> pdb=" O GLUEP 62 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N ILEEP 67 " --> pdb=" O ALAEP 63 " (cutoff:3.500A) Processing helix chain 'EP' and resid 82 through 86 Processing helix chain 'ER' and resid 12 through 27 removed outlier: 3.883A pdb=" N CYSER 16 " --> pdb=" O GLYER 12 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ALAER 27 " --> pdb=" O METER 23 " (cutoff:3.500A) Processing helix chain 'ER' and resid 49 through 68 removed outlier: 3.666A pdb=" N ASPER 58 " --> pdb=" O ASNER 54 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N SERER 59 " --> pdb=" O ALAER 55 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ARGER 66 " --> pdb=" O GLUER 62 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N ILEER 67 " --> pdb=" O ALAER 63 " (cutoff:3.500A) Processing helix chain 'ES' and resid 12 through 27 removed outlier: 3.731A pdb=" N CYSES 16 " --> pdb=" O GLYES 12 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ALAES 27 " --> pdb=" O METES 23 " (cutoff:3.500A) Processing helix chain 'ES' and resid 49 through 68 removed outlier: 3.855A pdb=" N ILEES 67 " --> pdb=" O ALAES 63 " (cutoff:3.500A) Processing helix chain 'ET' and resid 13 through 26 Processing helix chain 'ET' and resid 49 through 68 removed outlier: 3.821A pdb=" N ARGET 66 " --> pdb=" O GLUET 62 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N ILEET 67 " --> pdb=" O ALAET 63 " (cutoff:3.500A) Processing helix chain 'ET' and resid 82 through 86 Processing helix chain 'EV' and resid 13 through 27 removed outlier: 3.746A pdb=" N ALAEV 27 " --> pdb=" O METEV 23 " (cutoff:3.500A) Processing helix chain 'EV' and resid 49 through 68 removed outlier: 3.664A pdb=" N ASPEV 58 " --> pdb=" O ASNEV 54 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N SEREV 59 " --> pdb=" O ALAEV 55 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ARGEV 66 " --> pdb=" O GLUEV 62 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N ILEEV 67 " --> pdb=" O ALAEV 63 " (cutoff:3.500A) Processing helix chain 'EW' and resid 13 through 27 removed outlier: 3.809A pdb=" N ALAEW 27 " --> pdb=" O METEW 23 " (cutoff:3.500A) Processing helix chain 'EW' and resid 49 through 68 removed outlier: 3.503A pdb=" N GLUEW 62 " --> pdb=" O ASPEW 58 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ILEEW 67 " --> pdb=" O ALAEW 63 " (cutoff:3.500A) Processing helix chain 'EX' and resid 13 through 26 Processing helix chain 'EX' and resid 49 through 68 removed outlier: 3.774A pdb=" N ARGEX 66 " --> pdb=" O GLUEX 62 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N ILEEX 67 " --> pdb=" O ALAEX 63 " (cutoff:3.500A) Processing helix chain 'EX' and resid 82 through 86 Processing helix chain 'EZ' and resid 12 through 27 removed outlier: 3.888A pdb=" N CYSEZ 16 " --> pdb=" O GLYEZ 12 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N ALAEZ 27 " --> pdb=" O METEZ 23 " (cutoff:3.500A) Processing helix chain 'EZ' and resid 49 through 68 removed outlier: 3.658A pdb=" N ASPEZ 58 " --> pdb=" O ASNEZ 54 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N SEREZ 59 " --> pdb=" O ALAEZ 55 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N ARGEZ 66 " --> pdb=" O GLUEZ 62 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N ILEEZ 67 " --> pdb=" O ALAEZ 63 " (cutoff:3.500A) Processing helix chain 'FA' and resid 12 through 27 removed outlier: 3.774A pdb=" N CYSFA 16 " --> pdb=" O GLYFA 12 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N ALAFA 27 " --> pdb=" O METFA 23 " (cutoff:3.500A) Processing helix chain 'FA' and resid 49 through 68 removed outlier: 3.545A pdb=" N GLUFA 62 " --> pdb=" O ASPFA 58 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N ILEFA 67 " --> pdb=" O ALAFA 63 " (cutoff:3.500A) Processing helix chain 'FB' and resid 13 through 26 Processing helix chain 'FB' and resid 49 through 68 removed outlier: 3.796A pdb=" N ARGFB 66 " --> pdb=" O GLUFB 62 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILEFB 67 " --> pdb=" O ALAFB 63 " (cutoff:3.500A) Processing helix chain 'FB' and resid 82 through 86 Processing helix chain 'FD' and resid 12 through 27 removed outlier: 3.874A pdb=" N CYSFD 16 " --> pdb=" O GLYFD 12 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N ALAFD 27 " --> pdb=" O METFD 23 " (cutoff:3.500A) Processing helix chain 'FD' and resid 49 through 68 removed outlier: 3.666A pdb=" N ASPFD 58 " --> pdb=" O ASNFD 54 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N SERFD 59 " --> pdb=" O ALAFD 55 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ARGFD 66 " --> pdb=" O GLUFD 62 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ILEFD 67 " --> pdb=" O ALAFD 63 " (cutoff:3.500A) Processing helix chain 'FE' and resid 12 through 27 removed outlier: 3.736A pdb=" N CYSFE 16 " --> pdb=" O GLYFE 12 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N ALAFE 27 " --> pdb=" O METFE 23 " (cutoff:3.500A) Processing helix chain 'FE' and resid 49 through 68 removed outlier: 3.854A pdb=" N ILEFE 67 " --> pdb=" O ALAFE 63 " (cutoff:3.500A) Processing helix chain 'FF' and resid 13 through 26 Processing helix chain 'FF' and resid 49 through 68 removed outlier: 3.828A pdb=" N ARGFF 66 " --> pdb=" O GLUFF 62 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N ILEFF 67 " --> pdb=" O ALAFF 63 " (cutoff:3.500A) Processing helix chain 'FF' and resid 82 through 86 Processing helix chain 'FH' and resid 12 through 27 removed outlier: 3.866A pdb=" N CYSFH 16 " --> pdb=" O GLYFH 12 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALAFH 27 " --> pdb=" O METFH 23 " (cutoff:3.500A) Processing helix chain 'FH' and resid 49 through 68 removed outlier: 3.693A pdb=" N ASPFH 58 " --> pdb=" O ASNFH 54 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N SERFH 59 " --> pdb=" O ALAFH 55 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N ARGFH 66 " --> pdb=" O GLUFH 62 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ILEFH 67 " --> pdb=" O ALAFH 63 " (cutoff:3.500A) Processing helix chain 'FI' and resid 13 through 27 removed outlier: 3.873A pdb=" N ALAFI 27 " --> pdb=" O METFI 23 " (cutoff:3.500A) Processing helix chain 'FI' and resid 49 through 68 removed outlier: 3.542A pdb=" N GLUFI 62 " --> pdb=" O ASPFI 58 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N ILEFI 67 " --> pdb=" O ALAFI 63 " (cutoff:3.500A) Processing helix chain 'FJ' and resid 13 through 26 Processing helix chain 'FJ' and resid 49 through 68 removed outlier: 3.793A pdb=" N ARGFJ 66 " --> pdb=" O GLUFJ 62 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N ILEFJ 67 " --> pdb=" O ALAFJ 63 " (cutoff:3.500A) Processing helix chain 'FJ' and resid 82 through 86 Processing helix chain 'FL' and resid 13 through 27 removed outlier: 3.674A pdb=" N ALAFL 27 " --> pdb=" O METFL 23 " (cutoff:3.500A) Processing helix chain 'FL' and resid 49 through 68 removed outlier: 3.622A pdb=" N ASPFL 58 " --> pdb=" O ASNFL 54 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N SERFL 59 " --> pdb=" O ALAFL 55 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ARGFL 66 " --> pdb=" O GLUFL 62 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ILEFL 67 " --> pdb=" O ALAFL 63 " (cutoff:3.500A) Processing helix chain 'FM' and resid 12 through 27 removed outlier: 3.736A pdb=" N CYSFM 16 " --> pdb=" O GLYFM 12 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N ALAFM 27 " --> pdb=" O METFM 23 " (cutoff:3.500A) Processing helix chain 'FM' and resid 49 through 68 removed outlier: 3.862A pdb=" N ILEFM 67 " --> pdb=" O ALAFM 63 " (cutoff:3.500A) Processing helix chain 'FN' and resid 13 through 26 Processing helix chain 'FN' and resid 49 through 68 removed outlier: 3.837A pdb=" N ARGFN 66 " --> pdb=" O GLUFN 62 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N ILEFN 67 " --> pdb=" O ALAFN 63 " (cutoff:3.500A) Processing helix chain 'FN' and resid 82 through 86 Processing helix chain 'FP' and resid 13 through 27 removed outlier: 3.706A pdb=" N ALAFP 27 " --> pdb=" O METFP 23 " (cutoff:3.500A) Processing helix chain 'FP' and resid 49 through 68 removed outlier: 3.654A pdb=" N ASPFP 58 " --> pdb=" O ASNFP 54 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N SERFP 59 " --> pdb=" O ALAFP 55 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N ARGFP 66 " --> pdb=" O GLUFP 62 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N ILEFP 67 " --> pdb=" O ALAFP 63 " (cutoff:3.500A) Processing helix chain 'FQ' and resid 13 through 27 removed outlier: 3.820A pdb=" N ALAFQ 27 " --> pdb=" O METFQ 23 " (cutoff:3.500A) Processing helix chain 'FQ' and resid 49 through 68 removed outlier: 3.527A pdb=" N GLUFQ 62 " --> pdb=" O ASPFQ 58 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N ILEFQ 67 " --> pdb=" O ALAFQ 63 " (cutoff:3.500A) Processing helix chain 'FR' and resid 13 through 26 Processing helix chain 'FR' and resid 49 through 68 removed outlier: 3.760A pdb=" N ARGFR 66 " --> pdb=" O GLUFR 62 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N ILEFR 67 " --> pdb=" O ALAFR 63 " (cutoff:3.500A) Processing helix chain 'FR' and resid 82 through 86 Processing helix chain 'FT' and resid 12 through 27 removed outlier: 3.875A pdb=" N CYSFT 16 " --> pdb=" O GLYFT 12 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ALAFT 27 " --> pdb=" O METFT 23 " (cutoff:3.500A) Processing helix chain 'FT' and resid 49 through 68 removed outlier: 3.667A pdb=" N ASPFT 58 " --> pdb=" O ASNFT 54 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N SERFT 59 " --> pdb=" O ALAFT 55 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N ARGFT 66 " --> pdb=" O GLUFT 62 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N ILEFT 67 " --> pdb=" O ALAFT 63 " (cutoff:3.500A) Processing helix chain 'FU' and resid 12 through 27 removed outlier: 3.728A pdb=" N CYSFU 16 " --> pdb=" O GLYFU 12 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N ALAFU 27 " --> pdb=" O METFU 23 " (cutoff:3.500A) Processing helix chain 'FU' and resid 49 through 68 removed outlier: 3.860A pdb=" N ILEFU 67 " --> pdb=" O ALAFU 63 " (cutoff:3.500A) Processing helix chain 'FV' and resid 13 through 26 Processing helix chain 'FV' and resid 49 through 68 removed outlier: 3.813A pdb=" N ARGFV 66 " --> pdb=" O GLUFV 62 " (cutoff:3.500A) removed outlier: 4.025A pdb=" N ILEFV 67 " --> pdb=" O ALAFV 63 " (cutoff:3.500A) Processing helix chain 'FV' and resid 82 through 86 Processing helix chain 'FX' and resid 12 through 27 removed outlier: 3.850A pdb=" N CYSFX 16 " --> pdb=" O GLYFX 12 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ALAFX 27 " --> pdb=" O METFX 23 " (cutoff:3.500A) Processing helix chain 'FX' and resid 49 through 68 removed outlier: 3.695A pdb=" N ASPFX 58 " --> pdb=" O ASNFX 54 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N SERFX 59 " --> pdb=" O ALAFX 55 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N ARGFX 66 " --> pdb=" O GLUFX 62 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ILEFX 67 " --> pdb=" O ALAFX 63 " (cutoff:3.500A) Processing helix chain 'FY' and resid 13 through 27 removed outlier: 3.830A pdb=" N ALAFY 27 " --> pdb=" O METFY 23 " (cutoff:3.500A) Processing helix chain 'FY' and resid 49 through 68 removed outlier: 3.859A pdb=" N ILEFY 67 " --> pdb=" O ALAFY 63 " (cutoff:3.500A) Processing helix chain 'FZ' and resid 13 through 26 Processing helix chain 'FZ' and resid 49 through 68 removed outlier: 3.775A pdb=" N ARGFZ 66 " --> pdb=" O GLUFZ 62 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N ILEFZ 67 " --> pdb=" O ALAFZ 63 " (cutoff:3.500A) Processing helix chain 'FZ' and resid 82 through 86 Processing helix chain 'GB' and resid 13 through 27 removed outlier: 3.652A pdb=" N ALAGB 27 " --> pdb=" O METGB 23 " (cutoff:3.500A) Processing helix chain 'GB' and resid 49 through 68 removed outlier: 3.645A pdb=" N ASPGB 58 " --> pdb=" O ASNGB 54 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N SERGB 59 " --> pdb=" O ALAGB 55 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARGGB 66 " --> pdb=" O GLUGB 62 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N ILEGB 67 " --> pdb=" O ALAGB 63 " (cutoff:3.500A) Processing helix chain 'GC' and resid 13 through 27 removed outlier: 3.809A pdb=" N ALAGC 27 " --> pdb=" O METGC 23 " (cutoff:3.500A) Processing helix chain 'GC' and resid 49 through 68 removed outlier: 3.839A pdb=" N ILEGC 67 " --> pdb=" O ALAGC 63 " (cutoff:3.500A) Processing helix chain 'GD' and resid 13 through 26 Processing helix chain 'GD' and resid 49 through 68 removed outlier: 3.855A pdb=" N ARGGD 66 " --> pdb=" O GLUGD 62 " (cutoff:3.500A) removed outlier: 4.025A pdb=" N ILEGD 67 " --> pdb=" O ALAGD 63 " (cutoff:3.500A) Processing helix chain 'GD' and resid 82 through 86 Processing helix chain 'GF' and resid 13 through 27 removed outlier: 3.729A pdb=" N ALAGF 27 " --> pdb=" O METGF 23 " (cutoff:3.500A) Processing helix chain 'GF' and resid 49 through 68 removed outlier: 3.642A pdb=" N ASPGF 58 " --> pdb=" O ASNGF 54 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N SERGF 59 " --> pdb=" O ALAGF 55 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N ARGGF 66 " --> pdb=" O GLUGF 62 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ILEGF 67 " --> pdb=" O ALAGF 63 " (cutoff:3.500A) Processing helix chain 'GG' and resid 12 through 27 removed outlier: 3.771A pdb=" N CYSGG 16 " --> pdb=" O GLYGG 12 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N ALAGG 27 " --> pdb=" O METGG 23 " (cutoff:3.500A) Processing helix chain 'GG' and resid 49 through 68 removed outlier: 3.846A pdb=" N ILEGG 67 " --> pdb=" O ALAGG 63 " (cutoff:3.500A) Processing helix chain 'GH' and resid 13 through 26 Processing helix chain 'GH' and resid 49 through 68 removed outlier: 3.785A pdb=" N ARGGH 66 " --> pdb=" O GLUGH 62 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N ILEGH 67 " --> pdb=" O ALAGH 63 " (cutoff:3.500A) Processing helix chain 'GH' and resid 82 through 86 Processing helix chain 'GJ' and resid 13 through 27 removed outlier: 3.755A pdb=" N ALAGJ 27 " --> pdb=" O METGJ 23 " (cutoff:3.500A) Processing helix chain 'GJ' and resid 49 through 68 removed outlier: 3.680A pdb=" N ASPGJ 58 " --> pdb=" O ASNGJ 54 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N SERGJ 59 " --> pdb=" O ALAGJ 55 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ARGGJ 66 " --> pdb=" O GLUGJ 62 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ILEGJ 67 " --> pdb=" O ALAGJ 63 " (cutoff:3.500A) Processing helix chain 'GK' and resid 13 through 27 removed outlier: 3.816A pdb=" N ALAGK 27 " --> pdb=" O METGK 23 " (cutoff:3.500A) Processing helix chain 'GK' and resid 49 through 68 removed outlier: 3.509A pdb=" N GLUGK 62 " --> pdb=" O ASPGK 58 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N ILEGK 67 " --> pdb=" O ALAGK 63 " (cutoff:3.500A) Processing helix chain 'GL' and resid 13 through 26 Processing helix chain 'GL' and resid 49 through 68 removed outlier: 3.790A pdb=" N ARGGL 66 " --> pdb=" O GLUGL 62 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N ILEGL 67 " --> pdb=" O ALAGL 63 " (cutoff:3.500A) Processing helix chain 'GL' and resid 82 through 86 Processing helix chain 'GN' and resid 12 through 27 removed outlier: 3.866A pdb=" N CYSGN 16 " --> pdb=" O GLYGN 12 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ALAGN 27 " --> pdb=" O METGN 23 " (cutoff:3.500A) Processing helix chain 'GN' and resid 49 through 68 removed outlier: 3.689A pdb=" N ASPGN 58 " --> pdb=" O ASNGN 54 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N SERGN 59 " --> pdb=" O ALAGN 55 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ARGGN 66 " --> pdb=" O GLUGN 62 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ILEGN 67 " --> pdb=" O ALAGN 63 " (cutoff:3.500A) Processing helix chain 'GO' and resid 13 through 27 removed outlier: 3.845A pdb=" N ALAGO 27 " --> pdb=" O METGO 23 " (cutoff:3.500A) Processing helix chain 'GO' and resid 49 through 68 removed outlier: 3.843A pdb=" N ILEGO 67 " --> pdb=" O ALAGO 63 " (cutoff:3.500A) Processing helix chain 'GP' and resid 13 through 26 Processing helix chain 'GP' and resid 49 through 68 removed outlier: 3.799A pdb=" N ARGGP 66 " --> pdb=" O GLUGP 62 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ILEGP 67 " --> pdb=" O ALAGP 63 " (cutoff:3.500A) Processing helix chain 'GP' and resid 82 through 86 Processing helix chain 'GR' and resid 13 through 27 removed outlier: 3.653A pdb=" N ALAGR 27 " --> pdb=" O METGR 23 " (cutoff:3.500A) Processing helix chain 'GR' and resid 49 through 68 removed outlier: 3.636A pdb=" N ASPGR 58 " --> pdb=" O ASNGR 54 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N SERGR 59 " --> pdb=" O ALAGR 55 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N ARGGR 66 " --> pdb=" O GLUGR 62 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ILEGR 67 " --> pdb=" O ALAGR 63 " (cutoff:3.500A) Processing helix chain 'GS' and resid 13 through 27 removed outlier: 3.845A pdb=" N ALAGS 27 " --> pdb=" O METGS 23 " (cutoff:3.500A) Processing helix chain 'GS' and resid 49 through 68 removed outlier: 3.849A pdb=" N ILEGS 67 " --> pdb=" O ALAGS 63 " (cutoff:3.500A) Processing helix chain 'GT' and resid 13 through 26 Processing helix chain 'GT' and resid 49 through 68 removed outlier: 3.823A pdb=" N ARGGT 66 " --> pdb=" O GLUGT 62 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N ILEGT 67 " --> pdb=" O ALAGT 63 " (cutoff:3.500A) Processing helix chain 'GT' and resid 82 through 86 Processing helix chain 'GV' and resid 13 through 27 removed outlier: 3.714A pdb=" N ALAGV 27 " --> pdb=" O METGV 23 " (cutoff:3.500A) Processing helix chain 'GV' and resid 49 through 68 removed outlier: 3.635A pdb=" N ASPGV 58 " --> pdb=" O ASNGV 54 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N SERGV 59 " --> pdb=" O ALAGV 55 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N ARGGV 66 " --> pdb=" O GLUGV 62 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ILEGV 67 " --> pdb=" O ALAGV 63 " (cutoff:3.500A) Processing helix chain 'GW' and resid 12 through 27 removed outlier: 3.765A pdb=" N CYSGW 16 " --> pdb=" O GLYGW 12 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N ALAGW 27 " --> pdb=" O METGW 23 " (cutoff:3.500A) Processing helix chain 'GW' and resid 49 through 68 removed outlier: 3.863A pdb=" N ILEGW 67 " --> pdb=" O ALAGW 63 " (cutoff:3.500A) Processing helix chain 'GX' and resid 13 through 26 Processing helix chain 'GX' and resid 49 through 68 removed outlier: 3.771A pdb=" N ARGGX 66 " --> pdb=" O GLUGX 62 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N ILEGX 67 " --> pdb=" O ALAGX 63 " (cutoff:3.500A) Processing helix chain 'GX' and resid 82 through 86 Processing helix chain 'GZ' and resid 13 through 27 removed outlier: 3.658A pdb=" N ALAGZ 27 " --> pdb=" O METGZ 23 " (cutoff:3.500A) Processing helix chain 'GZ' and resid 49 through 68 removed outlier: 3.697A pdb=" N ASPGZ 58 " --> pdb=" O ASNGZ 54 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N SERGZ 59 " --> pdb=" O ALAGZ 55 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N ARGGZ 66 " --> pdb=" O GLUGZ 62 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N ILEGZ 67 " --> pdb=" O ALAGZ 63 " (cutoff:3.500A) Processing helix chain 'HA' and resid 13 through 27 removed outlier: 3.824A pdb=" N ALAHA 27 " --> pdb=" O METHA 23 " (cutoff:3.500A) Processing helix chain 'HA' and resid 49 through 68 removed outlier: 3.867A pdb=" N ILEHA 67 " --> pdb=" O ALAHA 63 " (cutoff:3.500A) Processing helix chain 'HB' and resid 13 through 26 Processing helix chain 'HB' and resid 49 through 68 removed outlier: 3.785A pdb=" N ARGHB 66 " --> pdb=" O GLUHB 62 " (cutoff:3.500A) removed outlier: 4.015A pdb=" N ILEHB 67 " --> pdb=" O ALAHB 63 " (cutoff:3.500A) Processing helix chain 'HB' and resid 82 through 86 Processing helix chain 'HD' and resid 13 through 27 removed outlier: 3.743A pdb=" N ALAHD 27 " --> pdb=" O METHD 23 " (cutoff:3.500A) Processing helix chain 'HD' and resid 49 through 68 removed outlier: 3.670A pdb=" N ASPHD 58 " --> pdb=" O ASNHD 54 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N SERHD 59 " --> pdb=" O ALAHD 55 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ARGHD 66 " --> pdb=" O GLUHD 62 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ILEHD 67 " --> pdb=" O ALAHD 63 " (cutoff:3.500A) Processing helix chain 'HE' and resid 13 through 27 removed outlier: 3.793A pdb=" N ALAHE 27 " --> pdb=" O METHE 23 " (cutoff:3.500A) Processing helix chain 'HE' and resid 49 through 68 removed outlier: 3.858A pdb=" N ILEHE 67 " --> pdb=" O ALAHE 63 " (cutoff:3.500A) Processing helix chain 'HF' and resid 13 through 26 Processing helix chain 'HF' and resid 49 through 68 removed outlier: 3.774A pdb=" N ARGHF 66 " --> pdb=" O GLUHF 62 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N ILEHF 67 " --> pdb=" O ALAHF 63 " (cutoff:3.500A) Processing helix chain 'HF' and resid 82 through 86 Processing helix chain 'HH' and resid 12 through 27 removed outlier: 3.881A pdb=" N CYSHH 16 " --> pdb=" O GLYHH 12 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N ALAHH 27 " --> pdb=" O METHH 23 " (cutoff:3.500A) Processing helix chain 'HH' and resid 49 through 68 removed outlier: 3.665A pdb=" N ASPHH 58 " --> pdb=" O ASNHH 54 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N SERHH 59 " --> pdb=" O ALAHH 55 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ARGHH 66 " --> pdb=" O GLUHH 62 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ILEHH 67 " --> pdb=" O ALAHH 63 " (cutoff:3.500A) Processing helix chain 'HI' and resid 12 through 27 removed outlier: 3.744A pdb=" N CYSHI 16 " --> pdb=" O GLYHI 12 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N ALAHI 27 " --> pdb=" O METHI 23 " (cutoff:3.500A) Processing helix chain 'HI' and resid 49 through 68 removed outlier: 3.857A pdb=" N ILEHI 67 " --> pdb=" O ALAHI 63 " (cutoff:3.500A) Processing helix chain 'HJ' and resid 13 through 26 Processing helix chain 'HJ' and resid 49 through 68 removed outlier: 3.839A pdb=" N ARGHJ 66 " --> pdb=" O GLUHJ 62 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ILEHJ 67 " --> pdb=" O ALAHJ 63 " (cutoff:3.500A) Processing helix chain 'HJ' and resid 82 through 86 Processing helix chain 'HL' and resid 13 through 27 removed outlier: 3.673A pdb=" N ALAHL 27 " --> pdb=" O METHL 23 " (cutoff:3.500A) Processing helix chain 'HL' and resid 49 through 68 removed outlier: 3.626A pdb=" N ASPHL 58 " --> pdb=" O ASNHL 54 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N SERHL 59 " --> pdb=" O ALAHL 55 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ARGHL 66 " --> pdb=" O GLUHL 62 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N ILEHL 67 " --> pdb=" O ALAHL 63 " (cutoff:3.500A) Processing helix chain 'HM' and resid 12 through 27 removed outlier: 3.760A pdb=" N CYSHM 16 " --> pdb=" O GLYHM 12 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N ALAHM 27 " --> pdb=" O METHM 23 " (cutoff:3.500A) Processing helix chain 'HM' and resid 49 through 68 removed outlier: 3.861A pdb=" N ILEHM 67 " --> pdb=" O ALAHM 63 " (cutoff:3.500A) Processing helix chain 'HN' and resid 13 through 26 Processing helix chain 'HN' and resid 49 through 68 removed outlier: 3.872A pdb=" N ARGHN 66 " --> pdb=" O GLUHN 62 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ILEHN 67 " --> pdb=" O ALAHN 63 " (cutoff:3.500A) Processing helix chain 'HN' and resid 82 through 86 Processing helix chain 'HP' and resid 13 through 27 removed outlier: 3.679A pdb=" N ALAHP 27 " --> pdb=" O METHP 23 " (cutoff:3.500A) Processing helix chain 'HP' and resid 49 through 68 removed outlier: 3.675A pdb=" N ASPHP 58 " --> pdb=" O ASNHP 54 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N SERHP 59 " --> pdb=" O ALAHP 55 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N ARGHP 66 " --> pdb=" O GLUHP 62 " (cutoff:3.500A) removed outlier: 3.973A pdb=" N ILEHP 67 " --> pdb=" O ALAHP 63 " (cutoff:3.500A) Processing helix chain 'HQ' and resid 13 through 27 removed outlier: 3.883A pdb=" N ALAHQ 27 " --> pdb=" O METHQ 23 " (cutoff:3.500A) Processing helix chain 'HQ' and resid 49 through 68 removed outlier: 3.541A pdb=" N GLUHQ 62 " --> pdb=" O ASPHQ 58 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N ILEHQ 67 " --> pdb=" O ALAHQ 63 " (cutoff:3.500A) Processing helix chain 'HR' and resid 13 through 26 Processing helix chain 'HR' and resid 49 through 68 removed outlier: 3.794A pdb=" N ARGHR 66 " --> pdb=" O GLUHR 62 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N ILEHR 67 " --> pdb=" O ALAHR 63 " (cutoff:3.500A) Processing helix chain 'HR' and resid 82 through 86 Processing helix chain 'HT' and resid 13 through 27 removed outlier: 3.728A pdb=" N ALAHT 27 " --> pdb=" O METHT 23 " (cutoff:3.500A) Processing helix chain 'HT' and resid 49 through 68 removed outlier: 3.667A pdb=" N ASPHT 58 " --> pdb=" O ASNHT 54 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N SERHT 59 " --> pdb=" O ALAHT 55 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N ARGHT 66 " --> pdb=" O GLUHT 62 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N ILEHT 67 " --> pdb=" O ALAHT 63 " (cutoff:3.500A) Processing helix chain 'HU' and resid 13 through 27 removed outlier: 3.787A pdb=" N ALAHU 27 " --> pdb=" O METHU 23 " (cutoff:3.500A) Processing helix chain 'HU' and resid 49 through 68 removed outlier: 3.866A pdb=" N ILEHU 67 " --> pdb=" O ALAHU 63 " (cutoff:3.500A) Processing helix chain 'HV' and resid 13 through 26 Processing helix chain 'HV' and resid 49 through 68 removed outlier: 3.762A pdb=" N ARGHV 66 " --> pdb=" O GLUHV 62 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N ILEHV 67 " --> pdb=" O ALAHV 63 " (cutoff:3.500A) Processing helix chain 'HV' and resid 82 through 86 Processing helix chain 'HX' and resid 13 through 27 removed outlier: 3.709A pdb=" N ALAHX 27 " --> pdb=" O METHX 23 " (cutoff:3.500A) Processing helix chain 'HX' and resid 49 through 68 removed outlier: 3.635A pdb=" N ASPHX 58 " --> pdb=" O ASNHX 54 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N SERHX 59 " --> pdb=" O ALAHX 55 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N ARGHX 66 " --> pdb=" O GLUHX 62 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N ILEHX 67 " --> pdb=" O ALAHX 63 " (cutoff:3.500A) Processing helix chain 'HY' and resid 12 through 27 removed outlier: 3.756A pdb=" N CYSHY 16 " --> pdb=" O GLYHY 12 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ALAHY 27 " --> pdb=" O METHY 23 " (cutoff:3.500A) Processing helix chain 'HY' and resid 49 through 68 removed outlier: 3.861A pdb=" N ILEHY 67 " --> pdb=" O ALAHY 63 " (cutoff:3.500A) Processing helix chain 'HZ' and resid 13 through 26 Processing helix chain 'HZ' and resid 49 through 68 removed outlier: 3.773A pdb=" N ARGHZ 66 " --> pdb=" O GLUHZ 62 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N ILEHZ 67 " --> pdb=" O ALAHZ 63 " (cutoff:3.500A) Processing helix chain 'HZ' and resid 82 through 86 Processing helix chain 'IB' and resid 12 through 27 removed outlier: 3.871A pdb=" N CYSIB 16 " --> pdb=" O GLYIB 12 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ALAIB 27 " --> pdb=" O METIB 23 " (cutoff:3.500A) Processing helix chain 'IB' and resid 49 through 68 removed outlier: 3.665A pdb=" N ASPIB 58 " --> pdb=" O ASNIB 54 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N SERIB 59 " --> pdb=" O ALAIB 55 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N ARGIB 66 " --> pdb=" O GLUIB 62 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ILEIB 67 " --> pdb=" O ALAIB 63 " (cutoff:3.500A) Processing helix chain 'IC' and resid 12 through 27 removed outlier: 3.728A pdb=" N CYSIC 16 " --> pdb=" O GLYIC 12 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ALAIC 27 " --> pdb=" O METIC 23 " (cutoff:3.500A) Processing helix chain 'IC' and resid 49 through 68 removed outlier: 3.857A pdb=" N ILEIC 67 " --> pdb=" O ALAIC 63 " (cutoff:3.500A) Processing helix chain 'ID' and resid 13 through 26 Processing helix chain 'ID' and resid 49 through 68 removed outlier: 3.813A pdb=" N ARGID 66 " --> pdb=" O GLUID 62 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N ILEID 67 " --> pdb=" O ALAID 63 " (cutoff:3.500A) Processing helix chain 'ID' and resid 82 through 86 Processing helix chain 'IF' and resid 13 through 27 removed outlier: 3.689A pdb=" N ALAIF 27 " --> pdb=" O METIF 23 " (cutoff:3.500A) Processing helix chain 'IF' and resid 49 through 68 removed outlier: 3.648A pdb=" N ASPIF 58 " --> pdb=" O ASNIF 54 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N SERIF 59 " --> pdb=" O ALAIF 55 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ARGIF 66 " --> pdb=" O GLUIF 62 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N ILEIF 67 " --> pdb=" O ALAIF 63 " (cutoff:3.500A) Processing helix chain 'IG' and resid 13 through 27 removed outlier: 3.859A pdb=" N ALAIG 27 " --> pdb=" O METIG 23 " (cutoff:3.500A) Processing helix chain 'IG' and resid 49 through 68 removed outlier: 3.520A pdb=" N GLUIG 62 " --> pdb=" O ASPIG 58 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N ILEIG 67 " --> pdb=" O ALAIG 63 " (cutoff:3.500A) Processing helix chain 'IH' and resid 13 through 26 Processing helix chain 'IH' and resid 49 through 68 removed outlier: 3.869A pdb=" N ARGIH 66 " --> pdb=" O GLUIH 62 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N ILEIH 67 " --> pdb=" O ALAIH 63 " (cutoff:3.500A) Processing helix chain 'IH' and resid 82 through 86 Processing helix chain 'IJ' and resid 13 through 27 removed outlier: 3.740A pdb=" N ALAIJ 27 " --> pdb=" O METIJ 23 " (cutoff:3.500A) Processing helix chain 'IJ' and resid 49 through 68 removed outlier: 3.665A pdb=" N ASPIJ 58 " --> pdb=" O ASNIJ 54 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N SERIJ 59 " --> pdb=" O ALAIJ 55 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N ARGIJ 66 " --> pdb=" O GLUIJ 62 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N ILEIJ 67 " --> pdb=" O ALAIJ 63 " (cutoff:3.500A) Processing helix chain 'IK' and resid 13 through 27 removed outlier: 3.805A pdb=" N ALAIK 27 " --> pdb=" O METIK 23 " (cutoff:3.500A) Processing helix chain 'IK' and resid 49 through 68 removed outlier: 3.509A pdb=" N GLUIK 62 " --> pdb=" O ASPIK 58 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ILEIK 67 " --> pdb=" O ALAIK 63 " (cutoff:3.500A) Processing helix chain 'IL' and resid 13 through 26 Processing helix chain 'IL' and resid 49 through 68 removed outlier: 3.806A pdb=" N ARGIL 66 " --> pdb=" O GLUIL 62 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N ILEIL 67 " --> pdb=" O ALAIL 63 " (cutoff:3.500A) Processing helix chain 'IL' and resid 82 through 86 Processing helix chain 'IN' and resid 13 through 27 removed outlier: 3.720A pdb=" N ALAIN 27 " --> pdb=" O METIN 23 " (cutoff:3.500A) Processing helix chain 'IN' and resid 49 through 68 removed outlier: 3.641A pdb=" N ASPIN 58 " --> pdb=" O ASNIN 54 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N SERIN 59 " --> pdb=" O ALAIN 55 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N ARGIN 66 " --> pdb=" O GLUIN 62 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N ILEIN 67 " --> pdb=" O ALAIN 63 " (cutoff:3.500A) Processing helix chain 'IO' and resid 12 through 27 removed outlier: 3.754A pdb=" N CYSIO 16 " --> pdb=" O GLYIO 12 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALAIO 27 " --> pdb=" O METIO 23 " (cutoff:3.500A) Processing helix chain 'IO' and resid 49 through 68 removed outlier: 3.856A pdb=" N ILEIO 67 " --> pdb=" O ALAIO 63 " (cutoff:3.500A) Processing helix chain 'IP' and resid 13 through 26 Processing helix chain 'IP' and resid 49 through 68 removed outlier: 3.773A pdb=" N ARGIP 66 " --> pdb=" O GLUIP 62 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ILEIP 67 " --> pdb=" O ALAIP 63 " (cutoff:3.500A) Processing helix chain 'IP' and resid 82 through 86 Processing helix chain 'IR' and resid 12 through 27 removed outlier: 3.870A pdb=" N CYSIR 16 " --> pdb=" O GLYIR 12 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N ALAIR 27 " --> pdb=" O METIR 23 " (cutoff:3.500A) Processing helix chain 'IR' and resid 49 through 68 removed outlier: 3.667A pdb=" N ASPIR 58 " --> pdb=" O ASNIR 54 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N SERIR 59 " --> pdb=" O ALAIR 55 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ARGIR 66 " --> pdb=" O GLUIR 62 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N ILEIR 67 " --> pdb=" O ALAIR 63 " (cutoff:3.500A) Processing helix chain 'IS' and resid 12 through 27 removed outlier: 3.735A pdb=" N CYSIS 16 " --> pdb=" O GLYIS 12 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ALAIS 27 " --> pdb=" O METIS 23 " (cutoff:3.500A) Processing helix chain 'IS' and resid 49 through 68 removed outlier: 3.862A pdb=" N ILEIS 67 " --> pdb=" O ALAIS 63 " (cutoff:3.500A) Processing helix chain 'IT' and resid 13 through 26 Processing helix chain 'IT' and resid 49 through 68 removed outlier: 3.814A pdb=" N ARGIT 66 " --> pdb=" O GLUIT 62 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N ILEIT 67 " --> pdb=" O ALAIT 63 " (cutoff:3.500A) Processing helix chain 'IT' and resid 82 through 86 Processing helix chain 'IV' and resid 13 through 27 removed outlier: 3.773A pdb=" N ALAIV 27 " --> pdb=" O METIV 23 " (cutoff:3.500A) Processing helix chain 'IV' and resid 49 through 68 removed outlier: 3.681A pdb=" N ASPIV 58 " --> pdb=" O ASNIV 54 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N SERIV 59 " --> pdb=" O ALAIV 55 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N ARGIV 66 " --> pdb=" O GLUIV 62 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N ILEIV 67 " --> pdb=" O ALAIV 63 " (cutoff:3.500A) Processing helix chain 'IW' and resid 13 through 27 removed outlier: 3.809A pdb=" N ALAIW 27 " --> pdb=" O METIW 23 " (cutoff:3.500A) Processing helix chain 'IW' and resid 49 through 68 removed outlier: 3.510A pdb=" N GLUIW 62 " --> pdb=" O ASPIW 58 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ILEIW 67 " --> pdb=" O ALAIW 63 " (cutoff:3.500A) Processing helix chain 'IX' and resid 13 through 26 Processing helix chain 'IX' and resid 49 through 68 removed outlier: 3.769A pdb=" N ARGIX 66 " --> pdb=" O GLUIX 62 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ILEIX 67 " --> pdb=" O ALAIX 63 " (cutoff:3.500A) Processing helix chain 'IX' and resid 82 through 86 Processing helix chain 'IZ' and resid 13 through 27 removed outlier: 3.655A pdb=" N ALAIZ 27 " --> pdb=" O METIZ 23 " (cutoff:3.500A) Processing helix chain 'IZ' and resid 49 through 68 removed outlier: 3.637A pdb=" N ASPIZ 58 " --> pdb=" O ASNIZ 54 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N SERIZ 59 " --> pdb=" O ALAIZ 55 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N ARGIZ 66 " --> pdb=" O GLUIZ 62 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N ILEIZ 67 " --> pdb=" O ALAIZ 63 " (cutoff:3.500A) Processing helix chain 'JA' and resid 12 through 27 removed outlier: 3.781A pdb=" N CYSJA 16 " --> pdb=" O GLYJA 12 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ALAJA 27 " --> pdb=" O METJA 23 " (cutoff:3.500A) Processing helix chain 'JA' and resid 49 through 68 removed outlier: 3.514A pdb=" N GLUJA 62 " --> pdb=" O ASPJA 58 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ILEJA 67 " --> pdb=" O ALAJA 63 " (cutoff:3.500A) Processing helix chain 'JB' and resid 13 through 26 Processing helix chain 'JB' and resid 49 through 68 removed outlier: 3.824A pdb=" N ARGJB 66 " --> pdb=" O GLUJB 62 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ILEJB 67 " --> pdb=" O ALAJB 63 " (cutoff:3.500A) Processing helix chain 'JB' and resid 82 through 86 Processing helix chain 'JD' and resid 13 through 27 removed outlier: 3.673A pdb=" N ALAJD 27 " --> pdb=" O METJD 23 " (cutoff:3.500A) Processing helix chain 'JD' and resid 49 through 68 removed outlier: 3.692A pdb=" N ASPJD 58 " --> pdb=" O ASNJD 54 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N SERJD 59 " --> pdb=" O ALAJD 55 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ARGJD 66 " --> pdb=" O GLUJD 62 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N ILEJD 67 " --> pdb=" O ALAJD 63 " (cutoff:3.500A) Processing helix chain 'JE' and resid 12 through 27 removed outlier: 3.688A pdb=" N CYSJE 16 " --> pdb=" O GLYJE 12 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALAJE 27 " --> pdb=" O METJE 23 " (cutoff:3.500A) Processing helix chain 'JE' and resid 49 through 68 removed outlier: 4.006A pdb=" N ILEJE 67 " --> pdb=" O ALAJE 63 " (cutoff:3.500A) Processing helix chain 'JF' and resid 12 through 26 removed outlier: 3.783A pdb=" N CYSJF 16 " --> pdb=" O GLYJF 12 " (cutoff:3.500A) Processing helix chain 'JF' and resid 49 through 65 Processing helix chain 'JF' and resid 82 through 87 removed outlier: 3.675A pdb=" N ILEJF 86 " --> pdb=" O ASPJF 82 " (cutoff:3.500A) Processing sheet with id= A, first strand: chain 'AA' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUAA 26 " --> pdb=" O THRAA 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISAA 9 " --> pdb=" O LEUAA 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUAA 24 " --> pdb=" O HISAA 9 " (cutoff:3.500A) Processing sheet with id= B, first strand: chain 'AB' and resid 69 through 76 removed outlier: 4.776A pdb=" N LYSAB 69 " --> pdb=" O LYSAB 11 " (cutoff:3.500A) removed outlier: 6.657A pdb=" N GLUAB 9 " --> pdb=" O VALAB 71 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N SERAB 73 " --> pdb=" O LEUAB 7 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N LEUAB 7 " --> pdb=" O SERAB 73 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N VALAB 75 " --> pdb=" O LEUAB 5 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N LEUAB 5 " --> pdb=" O VALAB 75 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N GLYAB 48 " --> pdb=" O ALAAB 4 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLYAB 33 " --> pdb=" O METAB 45 " (cutoff:3.500A) removed outlier: 6.652A pdb=" N LYSAB 47 " --> pdb=" O LEUAB 31 " (cutoff:3.500A) removed outlier: 5.696A pdb=" N LEUAB 31 " --> pdb=" O LYSAB 47 " (cutoff:3.500A) Processing sheet with id= C, first strand: chain 'AC' and resid 70 through 76 removed outlier: 6.671A pdb=" N GLUAC 9 " --> pdb=" O VALAC 71 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N SERAC 73 " --> pdb=" O LEUAC 7 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LEUAC 7 " --> pdb=" O SERAC 73 " (cutoff:3.500A) removed outlier: 4.494A pdb=" N VALAC 75 " --> pdb=" O LEUAC 5 " (cutoff:3.500A) removed outlier: 6.651A pdb=" N LEUAC 5 " --> pdb=" O VALAC 75 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N GLYAC 48 " --> pdb=" O ALAAC 4 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N METAC 45 " --> pdb=" O GLYAC 33 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N GLYAC 33 " --> pdb=" O METAC 45 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N LYSAC 47 " --> pdb=" O LEUAC 31 " (cutoff:3.500A) removed outlier: 5.581A pdb=" N LEUAC 31 " --> pdb=" O LYSAC 47 " (cutoff:3.500A) Processing sheet with id= D, first strand: chain 'AD' and resid 70 through 76 removed outlier: 6.675A pdb=" N GLUAD 9 " --> pdb=" O VALAD 71 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N SERAD 73 " --> pdb=" O LEUAD 7 " (cutoff:3.500A) removed outlier: 6.688A pdb=" N LEUAD 7 " --> pdb=" O SERAD 73 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N VALAD 75 " --> pdb=" O LEUAD 5 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N LEUAD 5 " --> pdb=" O VALAD 75 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N GLYAD 48 " --> pdb=" O ALAAD 4 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N GLYAD 33 " --> pdb=" O METAD 45 " (cutoff:3.500A) removed outlier: 6.628A pdb=" N LYSAD 47 " --> pdb=" O LEUAD 31 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N LEUAD 31 " --> pdb=" O LYSAD 47 " (cutoff:3.500A) Processing sheet with id= E, first strand: chain 'AE' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUAE 26 " --> pdb=" O THRAE 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISAE 9 " --> pdb=" O LEUAE 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUAE 24 " --> pdb=" O HISAE 9 " (cutoff:3.500A) Processing sheet with id= F, first strand: chain 'AF' and resid 69 through 76 removed outlier: 4.754A pdb=" N LYSAF 69 " --> pdb=" O LYSAF 11 " (cutoff:3.500A) removed outlier: 6.693A pdb=" N GLUAF 9 " --> pdb=" O VALAF 71 " (cutoff:3.500A) removed outlier: 4.271A pdb=" N SERAF 73 " --> pdb=" O LEUAF 7 " (cutoff:3.500A) removed outlier: 6.733A pdb=" N LEUAF 7 " --> pdb=" O SERAF 73 " (cutoff:3.500A) removed outlier: 4.384A pdb=" N VALAF 75 " --> pdb=" O LEUAF 5 " (cutoff:3.500A) removed outlier: 6.570A pdb=" N LEUAF 5 " --> pdb=" O VALAF 75 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N GLYAF 48 " --> pdb=" O ALAAF 4 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N GLYAF 33 " --> pdb=" O METAF 45 " (cutoff:3.500A) removed outlier: 6.657A pdb=" N LYSAF 47 " --> pdb=" O LEUAF 31 " (cutoff:3.500A) removed outlier: 5.700A pdb=" N LEUAF 31 " --> pdb=" O LYSAF 47 " (cutoff:3.500A) Processing sheet with id= G, first strand: chain 'AG' and resid 70 through 76 removed outlier: 6.683A pdb=" N GLUAG 9 " --> pdb=" O VALAG 71 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N SERAG 73 " --> pdb=" O LEUAG 7 " (cutoff:3.500A) removed outlier: 6.634A pdb=" N LEUAG 7 " --> pdb=" O SERAG 73 " (cutoff:3.500A) removed outlier: 4.493A pdb=" N VALAG 75 " --> pdb=" O LEUAG 5 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N LEUAG 5 " --> pdb=" O VALAG 75 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N GLYAG 48 " --> pdb=" O ALAAG 4 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N METAG 45 " --> pdb=" O GLYAG 33 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N GLYAG 33 " --> pdb=" O METAG 45 " (cutoff:3.500A) removed outlier: 6.716A pdb=" N LYSAG 47 " --> pdb=" O LEUAG 31 " (cutoff:3.500A) removed outlier: 5.553A pdb=" N LEUAG 31 " --> pdb=" O LYSAG 47 " (cutoff:3.500A) Processing sheet with id= H, first strand: chain 'AH' and resid 70 through 76 removed outlier: 6.681A pdb=" N GLUAH 9 " --> pdb=" O VALAH 71 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N SERAH 73 " --> pdb=" O LEUAH 7 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N LEUAH 7 " --> pdb=" O SERAH 73 " (cutoff:3.500A) removed outlier: 4.329A pdb=" N VALAH 75 " --> pdb=" O LEUAH 5 " (cutoff:3.500A) removed outlier: 6.466A pdb=" N LEUAH 5 " --> pdb=" O VALAH 75 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N GLYAH 48 " --> pdb=" O ALAAH 4 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N GLYAH 33 " --> pdb=" O METAH 45 " (cutoff:3.500A) removed outlier: 6.628A pdb=" N LYSAH 47 " --> pdb=" O LEUAH 31 " (cutoff:3.500A) removed outlier: 5.463A pdb=" N LEUAH 31 " --> pdb=" O LYSAH 47 " (cutoff:3.500A) Processing sheet with id= I, first strand: chain 'AI' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUAI 26 " --> pdb=" O THRAI 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISAI 9 " --> pdb=" O LEUAI 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUAI 24 " --> pdb=" O HISAI 9 " (cutoff:3.500A) Processing sheet with id= J, first strand: chain 'AJ' and resid 69 through 76 removed outlier: 4.778A pdb=" N LYSAJ 69 " --> pdb=" O LYSAJ 11 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N GLUAJ 9 " --> pdb=" O VALAJ 71 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N SERAJ 73 " --> pdb=" O LEUAJ 7 " (cutoff:3.500A) removed outlier: 6.725A pdb=" N LEUAJ 7 " --> pdb=" O SERAJ 73 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N VALAJ 75 " --> pdb=" O LEUAJ 5 " (cutoff:3.500A) removed outlier: 6.601A pdb=" N LEUAJ 5 " --> pdb=" O VALAJ 75 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N GLYAJ 48 " --> pdb=" O ALAAJ 4 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N GLYAJ 33 " --> pdb=" O METAJ 45 " (cutoff:3.500A) removed outlier: 6.690A pdb=" N LYSAJ 47 " --> pdb=" O LEUAJ 31 " (cutoff:3.500A) removed outlier: 5.695A pdb=" N LEUAJ 31 " --> pdb=" O LYSAJ 47 " (cutoff:3.500A) Processing sheet with id= K, first strand: chain 'AK' and resid 70 through 76 removed outlier: 6.731A pdb=" N GLUAK 9 " --> pdb=" O VALAK 71 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N SERAK 73 " --> pdb=" O LEUAK 7 " (cutoff:3.500A) removed outlier: 6.644A pdb=" N LEUAK 7 " --> pdb=" O SERAK 73 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VALAK 75 " --> pdb=" O LEUAK 5 " (cutoff:3.500A) removed outlier: 6.667A pdb=" N LEUAK 5 " --> pdb=" O VALAK 75 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLYAK 48 " --> pdb=" O ALAAK 4 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N METAK 45 " --> pdb=" O GLYAK 33 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLYAK 33 " --> pdb=" O METAK 45 " (cutoff:3.500A) removed outlier: 6.766A pdb=" N LYSAK 47 " --> pdb=" O LEUAK 31 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N LEUAK 31 " --> pdb=" O LYSAK 47 " (cutoff:3.500A) Processing sheet with id= L, first strand: chain 'AL' and resid 70 through 76 removed outlier: 6.683A pdb=" N GLUAL 9 " --> pdb=" O VALAL 71 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N SERAL 73 " --> pdb=" O LEUAL 7 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N LEUAL 7 " --> pdb=" O SERAL 73 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N VALAL 75 " --> pdb=" O LEUAL 5 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N LEUAL 5 " --> pdb=" O VALAL 75 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLYAL 48 " --> pdb=" O ALAAL 4 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N GLYAL 33 " --> pdb=" O METAL 45 " (cutoff:3.500A) removed outlier: 6.608A pdb=" N LYSAL 47 " --> pdb=" O LEUAL 31 " (cutoff:3.500A) removed outlier: 5.489A pdb=" N LEUAL 31 " --> pdb=" O LYSAL 47 " (cutoff:3.500A) Processing sheet with id= M, first strand: chain 'AM' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUAM 26 " --> pdb=" O THRAM 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISAM 9 " --> pdb=" O LEUAM 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUAM 24 " --> pdb=" O HISAM 9 " (cutoff:3.500A) Processing sheet with id= N, first strand: chain 'AN' and resid 69 through 76 removed outlier: 4.771A pdb=" N LYSAN 69 " --> pdb=" O LYSAN 11 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N GLUAN 9 " --> pdb=" O VALAN 71 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N SERAN 73 " --> pdb=" O LEUAN 7 " (cutoff:3.500A) removed outlier: 6.734A pdb=" N LEUAN 7 " --> pdb=" O SERAN 73 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N VALAN 75 " --> pdb=" O LEUAN 5 " (cutoff:3.500A) removed outlier: 6.558A pdb=" N LEUAN 5 " --> pdb=" O VALAN 75 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLYAN 48 " --> pdb=" O ALAAN 4 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLYAN 33 " --> pdb=" O METAN 45 " (cutoff:3.500A) removed outlier: 6.650A pdb=" N LYSAN 47 " --> pdb=" O LEUAN 31 " (cutoff:3.500A) removed outlier: 5.694A pdb=" N LEUAN 31 " --> pdb=" O LYSAN 47 " (cutoff:3.500A) Processing sheet with id= O, first strand: chain 'AO' and resid 70 through 76 removed outlier: 6.668A pdb=" N GLUAO 9 " --> pdb=" O VALAO 71 " (cutoff:3.500A) removed outlier: 4.378A pdb=" N SERAO 73 " --> pdb=" O LEUAO 7 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N LEUAO 7 " --> pdb=" O SERAO 73 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N VALAO 75 " --> pdb=" O LEUAO 5 " (cutoff:3.500A) removed outlier: 6.653A pdb=" N LEUAO 5 " --> pdb=" O VALAO 75 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N GLYAO 48 " --> pdb=" O ALAAO 4 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N METAO 45 " --> pdb=" O GLYAO 33 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N GLYAO 33 " --> pdb=" O METAO 45 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N LYSAO 47 " --> pdb=" O LEUAO 31 " (cutoff:3.500A) removed outlier: 5.571A pdb=" N LEUAO 31 " --> pdb=" O LYSAO 47 " (cutoff:3.500A) Processing sheet with id= P, first strand: chain 'AP' and resid 70 through 76 removed outlier: 6.686A pdb=" N GLUAP 9 " --> pdb=" O VALAP 71 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N SERAP 73 " --> pdb=" O LEUAP 7 " (cutoff:3.500A) removed outlier: 6.694A pdb=" N LEUAP 7 " --> pdb=" O SERAP 73 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VALAP 75 " --> pdb=" O LEUAP 5 " (cutoff:3.500A) removed outlier: 6.480A pdb=" N LEUAP 5 " --> pdb=" O VALAP 75 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N GLYAP 48 " --> pdb=" O ALAAP 4 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLYAP 33 " --> pdb=" O METAP 45 " (cutoff:3.500A) removed outlier: 6.615A pdb=" N LYSAP 47 " --> pdb=" O LEUAP 31 " (cutoff:3.500A) removed outlier: 5.463A pdb=" N LEUAP 31 " --> pdb=" O LYSAP 47 " (cutoff:3.500A) Processing sheet with id= Q, first strand: chain 'AQ' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUAQ 26 " --> pdb=" O THRAQ 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISAQ 9 " --> pdb=" O LEUAQ 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUAQ 24 " --> pdb=" O HISAQ 9 " (cutoff:3.500A) Processing sheet with id= R, first strand: chain 'AR' and resid 69 through 76 removed outlier: 4.753A pdb=" N LYSAR 69 " --> pdb=" O LYSAR 11 " (cutoff:3.500A) removed outlier: 6.676A pdb=" N GLUAR 9 " --> pdb=" O VALAR 71 " (cutoff:3.500A) removed outlier: 4.297A pdb=" N SERAR 73 " --> pdb=" O LEUAR 7 " (cutoff:3.500A) removed outlier: 6.733A pdb=" N LEUAR 7 " --> pdb=" O SERAR 73 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N VALAR 75 " --> pdb=" O LEUAR 5 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N LEUAR 5 " --> pdb=" O VALAR 75 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N GLYAR 48 " --> pdb=" O ALAAR 4 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLYAR 33 " --> pdb=" O METAR 45 " (cutoff:3.500A) removed outlier: 6.670A pdb=" N LYSAR 47 " --> pdb=" O LEUAR 31 " (cutoff:3.500A) removed outlier: 5.675A pdb=" N LEUAR 31 " --> pdb=" O LYSAR 47 " (cutoff:3.500A) Processing sheet with id= S, first strand: chain 'AS' and resid 70 through 76 removed outlier: 6.681A pdb=" N GLUAS 9 " --> pdb=" O VALAS 71 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N SERAS 73 " --> pdb=" O LEUAS 7 " (cutoff:3.500A) removed outlier: 6.647A pdb=" N LEUAS 7 " --> pdb=" O SERAS 73 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N VALAS 75 " --> pdb=" O LEUAS 5 " (cutoff:3.500A) removed outlier: 6.612A pdb=" N LEUAS 5 " --> pdb=" O VALAS 75 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N GLYAS 48 " --> pdb=" O ALAAS 4 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N METAS 45 " --> pdb=" O GLYAS 33 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N GLYAS 33 " --> pdb=" O METAS 45 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N LYSAS 47 " --> pdb=" O LEUAS 31 " (cutoff:3.500A) removed outlier: 5.571A pdb=" N LEUAS 31 " --> pdb=" O LYSAS 47 " (cutoff:3.500A) Processing sheet with id= T, first strand: chain 'AT' and resid 70 through 76 removed outlier: 6.633A pdb=" N GLUAT 9 " --> pdb=" O VALAT 71 " (cutoff:3.500A) removed outlier: 4.342A pdb=" N SERAT 73 " --> pdb=" O LEUAT 7 " (cutoff:3.500A) removed outlier: 6.669A pdb=" N LEUAT 7 " --> pdb=" O SERAT 73 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N VALAT 75 " --> pdb=" O LEUAT 5 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N LEUAT 5 " --> pdb=" O VALAT 75 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N GLYAT 48 " --> pdb=" O ALAAT 4 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N GLYAT 33 " --> pdb=" O METAT 45 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N LYSAT 47 " --> pdb=" O LEUAT 31 " (cutoff:3.500A) removed outlier: 5.469A pdb=" N LEUAT 31 " --> pdb=" O LYSAT 47 " (cutoff:3.500A) Processing sheet with id= U, first strand: chain 'AU' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUAU 26 " --> pdb=" O THRAU 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISAU 9 " --> pdb=" O LEUAU 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUAU 24 " --> pdb=" O HISAU 9 " (cutoff:3.500A) Processing sheet with id= V, first strand: chain 'AV' and resid 69 through 76 removed outlier: 4.774A pdb=" N LYSAV 69 " --> pdb=" O LYSAV 11 " (cutoff:3.500A) removed outlier: 6.666A pdb=" N GLUAV 9 " --> pdb=" O VALAV 71 " (cutoff:3.500A) removed outlier: 4.299A pdb=" N SERAV 73 " --> pdb=" O LEUAV 7 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N LEUAV 7 " --> pdb=" O SERAV 73 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VALAV 75 " --> pdb=" O LEUAV 5 " (cutoff:3.500A) removed outlier: 6.564A pdb=" N LEUAV 5 " --> pdb=" O VALAV 75 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N GLYAV 48 " --> pdb=" O ALAAV 4 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N GLYAV 33 " --> pdb=" O METAV 45 " (cutoff:3.500A) removed outlier: 6.650A pdb=" N LYSAV 47 " --> pdb=" O LEUAV 31 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LEUAV 31 " --> pdb=" O LYSAV 47 " (cutoff:3.500A) Processing sheet with id= W, first strand: chain 'AW' and resid 70 through 76 removed outlier: 6.705A pdb=" N GLUAW 9 " --> pdb=" O VALAW 71 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N SERAW 73 " --> pdb=" O LEUAW 7 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N LEUAW 7 " --> pdb=" O SERAW 73 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VALAW 75 " --> pdb=" O LEUAW 5 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N LEUAW 5 " --> pdb=" O VALAW 75 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N GLYAW 48 " --> pdb=" O ALAAW 4 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N METAW 45 " --> pdb=" O GLYAW 33 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLYAW 33 " --> pdb=" O METAW 45 " (cutoff:3.500A) removed outlier: 6.765A pdb=" N LYSAW 47 " --> pdb=" O LEUAW 31 " (cutoff:3.500A) removed outlier: 5.593A pdb=" N LEUAW 31 " --> pdb=" O LYSAW 47 " (cutoff:3.500A) Processing sheet with id= X, first strand: chain 'AX' and resid 70 through 76 removed outlier: 6.683A pdb=" N GLUAX 9 " --> pdb=" O VALAX 71 " (cutoff:3.500A) removed outlier: 4.366A pdb=" N SERAX 73 " --> pdb=" O LEUAX 7 " (cutoff:3.500A) removed outlier: 6.706A pdb=" N LEUAX 7 " --> pdb=" O SERAX 73 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VALAX 75 " --> pdb=" O LEUAX 5 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N LEUAX 5 " --> pdb=" O VALAX 75 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N GLYAX 48 " --> pdb=" O ALAAX 4 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N GLYAX 33 " --> pdb=" O METAX 45 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N LYSAX 47 " --> pdb=" O LEUAX 31 " (cutoff:3.500A) removed outlier: 5.433A pdb=" N LEUAX 31 " --> pdb=" O LYSAX 47 " (cutoff:3.500A) Processing sheet with id= Y, first strand: chain 'AY' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUAY 26 " --> pdb=" O THRAY 7 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N HISAY 9 " --> pdb=" O LEUAY 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUAY 24 " --> pdb=" O HISAY 9 " (cutoff:3.500A) Processing sheet with id= Z, first strand: chain 'AZ' and resid 69 through 76 removed outlier: 4.770A pdb=" N LYSAZ 69 " --> pdb=" O LYSAZ 11 " (cutoff:3.500A) removed outlier: 6.676A pdb=" N GLUAZ 9 " --> pdb=" O VALAZ 71 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N SERAZ 73 " --> pdb=" O LEUAZ 7 " (cutoff:3.500A) removed outlier: 6.711A pdb=" N LEUAZ 7 " --> pdb=" O SERAZ 73 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N VALAZ 75 " --> pdb=" O LEUAZ 5 " (cutoff:3.500A) removed outlier: 6.597A pdb=" N LEUAZ 5 " --> pdb=" O VALAZ 75 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLYAZ 48 " --> pdb=" O ALAAZ 4 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLYAZ 33 " --> pdb=" O METAZ 45 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N LYSAZ 47 " --> pdb=" O LEUAZ 31 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LEUAZ 31 " --> pdb=" O LYSAZ 47 " (cutoff:3.500A) Processing sheet with id= AA, first strand: chain 'BA' and resid 70 through 76 removed outlier: 6.716A pdb=" N GLUBA 9 " --> pdb=" O VALBA 71 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N SERBA 73 " --> pdb=" O LEUBA 7 " (cutoff:3.500A) removed outlier: 6.636A pdb=" N LEUBA 7 " --> pdb=" O SERBA 73 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VALBA 75 " --> pdb=" O LEUBA 5 " (cutoff:3.500A) removed outlier: 6.659A pdb=" N LEUBA 5 " --> pdb=" O VALBA 75 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLYBA 48 " --> pdb=" O ALABA 4 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N METBA 45 " --> pdb=" O GLYBA 33 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N GLYBA 33 " --> pdb=" O METBA 45 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N LYSBA 47 " --> pdb=" O LEUBA 31 " (cutoff:3.500A) removed outlier: 5.552A pdb=" N LEUBA 31 " --> pdb=" O LYSBA 47 " (cutoff:3.500A) Processing sheet with id= AB, first strand: chain 'BB' and resid 70 through 76 removed outlier: 6.673A pdb=" N GLUBB 9 " --> pdb=" O VALBB 71 " (cutoff:3.500A) removed outlier: 4.342A pdb=" N SERBB 73 " --> pdb=" O LEUBB 7 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N LEUBB 7 " --> pdb=" O SERBB 73 " (cutoff:3.500A) removed outlier: 4.361A pdb=" N VALBB 75 " --> pdb=" O LEUBB 5 " (cutoff:3.500A) removed outlier: 6.504A pdb=" N LEUBB 5 " --> pdb=" O VALBB 75 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLYBB 48 " --> pdb=" O ALABB 4 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N GLYBB 33 " --> pdb=" O METBB 45 " (cutoff:3.500A) removed outlier: 6.621A pdb=" N LYSBB 47 " --> pdb=" O LEUBB 31 " (cutoff:3.500A) removed outlier: 5.463A pdb=" N LEUBB 31 " --> pdb=" O LYSBB 47 " (cutoff:3.500A) Processing sheet with id= AC, first strand: chain 'BC' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUBC 26 " --> pdb=" O THRBC 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISBC 9 " --> pdb=" O LEUBC 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUBC 24 " --> pdb=" O HISBC 9 " (cutoff:3.500A) Processing sheet with id= AD, first strand: chain 'BD' and resid 69 through 76 removed outlier: 4.777A pdb=" N LYSBD 69 " --> pdb=" O LYSBD 11 " (cutoff:3.500A) removed outlier: 6.678A pdb=" N GLUBD 9 " --> pdb=" O VALBD 71 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N SERBD 73 " --> pdb=" O LEUBD 7 " (cutoff:3.500A) removed outlier: 6.732A pdb=" N LEUBD 7 " --> pdb=" O SERBD 73 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N VALBD 75 " --> pdb=" O LEUBD 5 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N LEUBD 5 " --> pdb=" O VALBD 75 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N GLYBD 48 " --> pdb=" O ALABD 4 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLYBD 33 " --> pdb=" O METBD 45 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N LYSBD 47 " --> pdb=" O LEUBD 31 " (cutoff:3.500A) removed outlier: 5.693A pdb=" N LEUBD 31 " --> pdb=" O LYSBD 47 " (cutoff:3.500A) Processing sheet with id= AE, first strand: chain 'BE' and resid 70 through 76 removed outlier: 6.677A pdb=" N GLUBE 9 " --> pdb=" O VALBE 71 " (cutoff:3.500A) removed outlier: 4.366A pdb=" N SERBE 73 " --> pdb=" O LEUBE 7 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LEUBE 7 " --> pdb=" O SERBE 73 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N VALBE 75 " --> pdb=" O LEUBE 5 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N LEUBE 5 " --> pdb=" O VALBE 75 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N GLYBE 48 " --> pdb=" O ALABE 4 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N METBE 45 " --> pdb=" O GLYBE 33 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N GLYBE 33 " --> pdb=" O METBE 45 " (cutoff:3.500A) removed outlier: 6.785A pdb=" N LYSBE 47 " --> pdb=" O LEUBE 31 " (cutoff:3.500A) removed outlier: 5.574A pdb=" N LEUBE 31 " --> pdb=" O LYSBE 47 " (cutoff:3.500A) Processing sheet with id= AF, first strand: chain 'BF' and resid 70 through 76 removed outlier: 6.687A pdb=" N GLUBF 9 " --> pdb=" O VALBF 71 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N SERBF 73 " --> pdb=" O LEUBF 7 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N LEUBF 7 " --> pdb=" O SERBF 73 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VALBF 75 " --> pdb=" O LEUBF 5 " (cutoff:3.500A) removed outlier: 6.483A pdb=" N LEUBF 5 " --> pdb=" O VALBF 75 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N GLYBF 48 " --> pdb=" O ALABF 4 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N GLYBF 33 " --> pdb=" O METBF 45 " (cutoff:3.500A) removed outlier: 6.621A pdb=" N LYSBF 47 " --> pdb=" O LEUBF 31 " (cutoff:3.500A) removed outlier: 5.463A pdb=" N LEUBF 31 " --> pdb=" O LYSBF 47 " (cutoff:3.500A) Processing sheet with id= AG, first strand: chain 'BG' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUBG 26 " --> pdb=" O THRBG 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISBG 9 " --> pdb=" O LEUBG 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUBG 24 " --> pdb=" O HISBG 9 " (cutoff:3.500A) Processing sheet with id= AH, first strand: chain 'BH' and resid 69 through 76 removed outlier: 4.747A pdb=" N LYSBH 69 " --> pdb=" O LYSBH 11 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLUBH 9 " --> pdb=" O VALBH 71 " (cutoff:3.500A) removed outlier: 4.276A pdb=" N SERBH 73 " --> pdb=" O LEUBH 7 " (cutoff:3.500A) removed outlier: 6.714A pdb=" N LEUBH 7 " --> pdb=" O SERBH 73 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N VALBH 75 " --> pdb=" O LEUBH 5 " (cutoff:3.500A) removed outlier: 6.571A pdb=" N LEUBH 5 " --> pdb=" O VALBH 75 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLYBH 48 " --> pdb=" O ALABH 4 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLYBH 33 " --> pdb=" O METBH 45 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N LYSBH 47 " --> pdb=" O LEUBH 31 " (cutoff:3.500A) removed outlier: 5.686A pdb=" N LEUBH 31 " --> pdb=" O LYSBH 47 " (cutoff:3.500A) Processing sheet with id= AI, first strand: chain 'BI' and resid 70 through 76 removed outlier: 6.662A pdb=" N GLUBI 9 " --> pdb=" O VALBI 71 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N SERBI 73 " --> pdb=" O LEUBI 7 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N LEUBI 7 " --> pdb=" O SERBI 73 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N VALBI 75 " --> pdb=" O LEUBI 5 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N LEUBI 5 " --> pdb=" O VALBI 75 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N GLYBI 48 " --> pdb=" O ALABI 4 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N METBI 45 " --> pdb=" O GLYBI 33 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N GLYBI 33 " --> pdb=" O METBI 45 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N LYSBI 47 " --> pdb=" O LEUBI 31 " (cutoff:3.500A) removed outlier: 5.489A pdb=" N LEUBI 31 " --> pdb=" O LYSBI 47 " (cutoff:3.500A) Processing sheet with id= AJ, first strand: chain 'BJ' and resid 70 through 76 removed outlier: 6.668A pdb=" N GLUBJ 9 " --> pdb=" O VALBJ 71 " (cutoff:3.500A) removed outlier: 4.364A pdb=" N SERBJ 73 " --> pdb=" O LEUBJ 7 " (cutoff:3.500A) removed outlier: 6.666A pdb=" N LEUBJ 7 " --> pdb=" O SERBJ 73 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VALBJ 75 " --> pdb=" O LEUBJ 5 " (cutoff:3.500A) removed outlier: 6.480A pdb=" N LEUBJ 5 " --> pdb=" O VALBJ 75 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N GLYBJ 48 " --> pdb=" O ALABJ 4 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N GLYBJ 33 " --> pdb=" O METBJ 45 " (cutoff:3.500A) removed outlier: 6.631A pdb=" N LYSBJ 47 " --> pdb=" O LEUBJ 31 " (cutoff:3.500A) removed outlier: 5.459A pdb=" N LEUBJ 31 " --> pdb=" O LYSBJ 47 " (cutoff:3.500A) Processing sheet with id= AK, first strand: chain 'BK' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUBK 26 " --> pdb=" O THRBK 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISBK 9 " --> pdb=" O LEUBK 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUBK 24 " --> pdb=" O HISBK 9 " (cutoff:3.500A) Processing sheet with id= AL, first strand: chain 'BL' and resid 69 through 76 removed outlier: 4.785A pdb=" N LYSBL 69 " --> pdb=" O LYSBL 11 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N GLUBL 9 " --> pdb=" O VALBL 71 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N SERBL 73 " --> pdb=" O LEUBL 7 " (cutoff:3.500A) removed outlier: 6.723A pdb=" N LEUBL 7 " --> pdb=" O SERBL 73 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N VALBL 75 " --> pdb=" O LEUBL 5 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N LEUBL 5 " --> pdb=" O VALBL 75 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLYBL 48 " --> pdb=" O ALABL 4 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N GLYBL 33 " --> pdb=" O METBL 45 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N LYSBL 47 " --> pdb=" O LEUBL 31 " (cutoff:3.500A) removed outlier: 5.690A pdb=" N LEUBL 31 " --> pdb=" O LYSBL 47 " (cutoff:3.500A) Processing sheet with id= AM, first strand: chain 'BM' and resid 70 through 76 removed outlier: 6.744A pdb=" N GLUBM 9 " --> pdb=" O VALBM 71 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N SERBM 73 " --> pdb=" O LEUBM 7 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LEUBM 7 " --> pdb=" O SERBM 73 " (cutoff:3.500A) removed outlier: 4.526A pdb=" N VALBM 75 " --> pdb=" O LEUBM 5 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N LEUBM 5 " --> pdb=" O VALBM 75 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N GLYBM 48 " --> pdb=" O ALABM 4 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N METBM 45 " --> pdb=" O GLYBM 33 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLYBM 33 " --> pdb=" O METBM 45 " (cutoff:3.500A) removed outlier: 6.781A pdb=" N LYSBM 47 " --> pdb=" O LEUBM 31 " (cutoff:3.500A) removed outlier: 5.597A pdb=" N LEUBM 31 " --> pdb=" O LYSBM 47 " (cutoff:3.500A) Processing sheet with id= AN, first strand: chain 'BN' and resid 70 through 76 removed outlier: 6.645A pdb=" N GLUBN 9 " --> pdb=" O VALBN 71 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N SERBN 73 " --> pdb=" O LEUBN 7 " (cutoff:3.500A) removed outlier: 6.662A pdb=" N LEUBN 7 " --> pdb=" O SERBN 73 " (cutoff:3.500A) removed outlier: 4.348A pdb=" N VALBN 75 " --> pdb=" O LEUBN 5 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N LEUBN 5 " --> pdb=" O VALBN 75 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N GLYBN 48 " --> pdb=" O ALABN 4 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N GLYBN 33 " --> pdb=" O METBN 45 " (cutoff:3.500A) removed outlier: 6.605A pdb=" N LYSBN 47 " --> pdb=" O LEUBN 31 " (cutoff:3.500A) removed outlier: 5.481A pdb=" N LEUBN 31 " --> pdb=" O LYSBN 47 " (cutoff:3.500A) Processing sheet with id= AO, first strand: chain 'BO' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUBO 26 " --> pdb=" O THRBO 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISBO 9 " --> pdb=" O LEUBO 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUBO 24 " --> pdb=" O HISBO 9 " (cutoff:3.500A) Processing sheet with id= AP, first strand: chain 'BP' and resid 69 through 76 removed outlier: 4.748A pdb=" N LYSBP 69 " --> pdb=" O LYSBP 11 " (cutoff:3.500A) removed outlier: 6.696A pdb=" N GLUBP 9 " --> pdb=" O VALBP 71 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N SERBP 73 " --> pdb=" O LEUBP 7 " (cutoff:3.500A) removed outlier: 6.692A pdb=" N LEUBP 7 " --> pdb=" O SERBP 73 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N VALBP 75 " --> pdb=" O LEUBP 5 " (cutoff:3.500A) removed outlier: 6.551A pdb=" N LEUBP 5 " --> pdb=" O VALBP 75 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLYBP 48 " --> pdb=" O ALABP 4 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLYBP 33 " --> pdb=" O METBP 45 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N LYSBP 47 " --> pdb=" O LEUBP 31 " (cutoff:3.500A) removed outlier: 5.692A pdb=" N LEUBP 31 " --> pdb=" O LYSBP 47 " (cutoff:3.500A) Processing sheet with id= AQ, first strand: chain 'BQ' and resid 70 through 76 removed outlier: 6.710A pdb=" N GLUBQ 9 " --> pdb=" O VALBQ 71 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N SERBQ 73 " --> pdb=" O LEUBQ 7 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N LEUBQ 7 " --> pdb=" O SERBQ 73 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N VALBQ 75 " --> pdb=" O LEUBQ 5 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N LEUBQ 5 " --> pdb=" O VALBQ 75 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N GLYBQ 48 " --> pdb=" O ALABQ 4 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N METBQ 45 " --> pdb=" O GLYBQ 33 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLYBQ 33 " --> pdb=" O METBQ 45 " (cutoff:3.500A) removed outlier: 6.771A pdb=" N LYSBQ 47 " --> pdb=" O LEUBQ 31 " (cutoff:3.500A) removed outlier: 5.591A pdb=" N LEUBQ 31 " --> pdb=" O LYSBQ 47 " (cutoff:3.500A) Processing sheet with id= AR, first strand: chain 'BR' and resid 70 through 76 removed outlier: 6.673A pdb=" N GLUBR 9 " --> pdb=" O VALBR 71 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N SERBR 73 " --> pdb=" O LEUBR 7 " (cutoff:3.500A) removed outlier: 6.706A pdb=" N LEUBR 7 " --> pdb=" O SERBR 73 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N VALBR 75 " --> pdb=" O LEUBR 5 " (cutoff:3.500A) removed outlier: 6.485A pdb=" N LEUBR 5 " --> pdb=" O VALBR 75 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N GLYBR 48 " --> pdb=" O ALABR 4 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N GLYBR 33 " --> pdb=" O METBR 45 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N LYSBR 47 " --> pdb=" O LEUBR 31 " (cutoff:3.500A) removed outlier: 5.433A pdb=" N LEUBR 31 " --> pdb=" O LYSBR 47 " (cutoff:3.500A) Processing sheet with id= AS, first strand: chain 'BS' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUBS 26 " --> pdb=" O THRBS 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISBS 9 " --> pdb=" O LEUBS 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUBS 24 " --> pdb=" O HISBS 9 " (cutoff:3.500A) Processing sheet with id= AT, first strand: chain 'BT' and resid 69 through 76 removed outlier: 4.755A pdb=" N LYSBT 69 " --> pdb=" O LYSBT 11 " (cutoff:3.500A) removed outlier: 6.702A pdb=" N GLUBT 9 " --> pdb=" O VALBT 71 " (cutoff:3.500A) removed outlier: 4.268A pdb=" N SERBT 73 " --> pdb=" O LEUBT 7 " (cutoff:3.500A) removed outlier: 6.732A pdb=" N LEUBT 7 " --> pdb=" O SERBT 73 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N VALBT 75 " --> pdb=" O LEUBT 5 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEUBT 5 " --> pdb=" O VALBT 75 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N GLYBT 48 " --> pdb=" O ALABT 4 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLYBT 33 " --> pdb=" O METBT 45 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N LYSBT 47 " --> pdb=" O LEUBT 31 " (cutoff:3.500A) removed outlier: 5.699A pdb=" N LEUBT 31 " --> pdb=" O LYSBT 47 " (cutoff:3.500A) Processing sheet with id= AU, first strand: chain 'BU' and resid 70 through 76 removed outlier: 6.700A pdb=" N GLUBU 9 " --> pdb=" O VALBU 71 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N SERBU 73 " --> pdb=" O LEUBU 7 " (cutoff:3.500A) removed outlier: 6.645A pdb=" N LEUBU 7 " --> pdb=" O SERBU 73 " (cutoff:3.500A) removed outlier: 4.499A pdb=" N VALBU 75 " --> pdb=" O LEUBU 5 " (cutoff:3.500A) removed outlier: 6.647A pdb=" N LEUBU 5 " --> pdb=" O VALBU 75 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N GLYBU 48 " --> pdb=" O ALABU 4 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N METBU 45 " --> pdb=" O GLYBU 33 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLYBU 33 " --> pdb=" O METBU 45 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LYSBU 47 " --> pdb=" O LEUBU 31 " (cutoff:3.500A) removed outlier: 5.564A pdb=" N LEUBU 31 " --> pdb=" O LYSBU 47 " (cutoff:3.500A) Processing sheet with id= AV, first strand: chain 'BV' and resid 70 through 76 removed outlier: 6.677A pdb=" N GLUBV 9 " --> pdb=" O VALBV 71 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N SERBV 73 " --> pdb=" O LEUBV 7 " (cutoff:3.500A) removed outlier: 6.673A pdb=" N LEUBV 7 " --> pdb=" O SERBV 73 " (cutoff:3.500A) removed outlier: 4.333A pdb=" N VALBV 75 " --> pdb=" O LEUBV 5 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N LEUBV 5 " --> pdb=" O VALBV 75 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N GLYBV 48 " --> pdb=" O ALABV 4 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N GLYBV 33 " --> pdb=" O METBV 45 " (cutoff:3.500A) removed outlier: 6.631A pdb=" N LYSBV 47 " --> pdb=" O LEUBV 31 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N LEUBV 31 " --> pdb=" O LYSBV 47 " (cutoff:3.500A) Processing sheet with id= AW, first strand: chain 'BW' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUBW 26 " --> pdb=" O THRBW 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISBW 9 " --> pdb=" O LEUBW 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUBW 24 " --> pdb=" O HISBW 9 " (cutoff:3.500A) Processing sheet with id= AX, first strand: chain 'BX' and resid 69 through 76 removed outlier: 4.731A pdb=" N LYSBX 69 " --> pdb=" O LYSBX 11 " (cutoff:3.500A) removed outlier: 6.668A pdb=" N GLUBX 9 " --> pdb=" O VALBX 71 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N SERBX 73 " --> pdb=" O LEUBX 7 " (cutoff:3.500A) removed outlier: 6.732A pdb=" N LEUBX 7 " --> pdb=" O SERBX 73 " (cutoff:3.500A) removed outlier: 4.411A pdb=" N VALBX 75 " --> pdb=" O LEUBX 5 " (cutoff:3.500A) removed outlier: 6.582A pdb=" N LEUBX 5 " --> pdb=" O VALBX 75 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N GLYBX 48 " --> pdb=" O ALABX 4 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N GLYBX 33 " --> pdb=" O METBX 45 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N LYSBX 47 " --> pdb=" O LEUBX 31 " (cutoff:3.500A) removed outlier: 5.686A pdb=" N LEUBX 31 " --> pdb=" O LYSBX 47 " (cutoff:3.500A) Processing sheet with id= AY, first strand: chain 'BY' and resid 70 through 76 removed outlier: 6.660A pdb=" N GLUBY 9 " --> pdb=" O VALBY 71 " (cutoff:3.500A) removed outlier: 4.399A pdb=" N SERBY 73 " --> pdb=" O LEUBY 7 " (cutoff:3.500A) removed outlier: 6.656A pdb=" N LEUBY 7 " --> pdb=" O SERBY 73 " (cutoff:3.500A) removed outlier: 4.522A pdb=" N VALBY 75 " --> pdb=" O LEUBY 5 " (cutoff:3.500A) removed outlier: 6.650A pdb=" N LEUBY 5 " --> pdb=" O VALBY 75 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N METBY 45 " --> pdb=" O GLYBY 33 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N GLYBY 33 " --> pdb=" O METBY 45 " (cutoff:3.500A) removed outlier: 6.767A pdb=" N LYSBY 47 " --> pdb=" O LEUBY 31 " (cutoff:3.500A) removed outlier: 5.571A pdb=" N LEUBY 31 " --> pdb=" O LYSBY 47 " (cutoff:3.500A) Processing sheet with id= AZ, first strand: chain 'BZ' and resid 70 through 76 removed outlier: 6.627A pdb=" N GLUBZ 9 " --> pdb=" O VALBZ 71 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N SERBZ 73 " --> pdb=" O LEUBZ 7 " (cutoff:3.500A) removed outlier: 6.668A pdb=" N LEUBZ 7 " --> pdb=" O SERBZ 73 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N VALBZ 75 " --> pdb=" O LEUBZ 5 " (cutoff:3.500A) removed outlier: 6.481A pdb=" N LEUBZ 5 " --> pdb=" O VALBZ 75 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N GLYBZ 48 " --> pdb=" O ALABZ 4 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N GLYBZ 33 " --> pdb=" O METBZ 45 " (cutoff:3.500A) removed outlier: 6.636A pdb=" N LYSBZ 47 " --> pdb=" O LEUBZ 31 " (cutoff:3.500A) removed outlier: 5.474A pdb=" N LEUBZ 31 " --> pdb=" O LYSBZ 47 " (cutoff:3.500A) Processing sheet with id= BA, first strand: chain 'CA' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUCA 26 " --> pdb=" O THRCA 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISCA 9 " --> pdb=" O LEUCA 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUCA 24 " --> pdb=" O HISCA 9 " (cutoff:3.500A) Processing sheet with id= BB, first strand: chain 'CB' and resid 69 through 76 removed outlier: 4.765A pdb=" N LYSCB 69 " --> pdb=" O LYSCB 11 " (cutoff:3.500A) removed outlier: 6.706A pdb=" N GLUCB 9 " --> pdb=" O VALCB 71 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N SERCB 73 " --> pdb=" O LEUCB 7 " (cutoff:3.500A) removed outlier: 6.724A pdb=" N LEUCB 7 " --> pdb=" O SERCB 73 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N VALCB 75 " --> pdb=" O LEUCB 5 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N LEUCB 5 " --> pdb=" O VALCB 75 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N GLYCB 48 " --> pdb=" O ALACB 4 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLYCB 33 " --> pdb=" O METCB 45 " (cutoff:3.500A) removed outlier: 6.676A pdb=" N LYSCB 47 " --> pdb=" O LEUCB 31 " (cutoff:3.500A) removed outlier: 5.686A pdb=" N LEUCB 31 " --> pdb=" O LYSCB 47 " (cutoff:3.500A) Processing sheet with id= BC, first strand: chain 'CC' and resid 70 through 76 removed outlier: 6.730A pdb=" N GLUCC 9 " --> pdb=" O VALCC 71 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N SERCC 73 " --> pdb=" O LEUCC 7 " (cutoff:3.500A) removed outlier: 6.650A pdb=" N LEUCC 7 " --> pdb=" O SERCC 73 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N VALCC 75 " --> pdb=" O LEUCC 5 " (cutoff:3.500A) removed outlier: 6.665A pdb=" N LEUCC 5 " --> pdb=" O VALCC 75 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N GLYCC 48 " --> pdb=" O ALACC 4 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N METCC 45 " --> pdb=" O GLYCC 33 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N GLYCC 33 " --> pdb=" O METCC 45 " (cutoff:3.500A) removed outlier: 6.769A pdb=" N LYSCC 47 " --> pdb=" O LEUCC 31 " (cutoff:3.500A) removed outlier: 5.571A pdb=" N LEUCC 31 " --> pdb=" O LYSCC 47 " (cutoff:3.500A) Processing sheet with id= BD, first strand: chain 'CD' and resid 70 through 76 removed outlier: 6.685A pdb=" N GLUCD 9 " --> pdb=" O VALCD 71 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N SERCD 73 " --> pdb=" O LEUCD 7 " (cutoff:3.500A) removed outlier: 6.679A pdb=" N LEUCD 7 " --> pdb=" O SERCD 73 " (cutoff:3.500A) removed outlier: 4.350A pdb=" N VALCD 75 " --> pdb=" O LEUCD 5 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N LEUCD 5 " --> pdb=" O VALCD 75 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N GLYCD 48 " --> pdb=" O ALACD 4 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N GLYCD 33 " --> pdb=" O METCD 45 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LYSCD 47 " --> pdb=" O LEUCD 31 " (cutoff:3.500A) removed outlier: 5.471A pdb=" N LEUCD 31 " --> pdb=" O LYSCD 47 " (cutoff:3.500A) Processing sheet with id= BE, first strand: chain 'CE' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUCE 26 " --> pdb=" O THRCE 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISCE 9 " --> pdb=" O LEUCE 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUCE 24 " --> pdb=" O HISCE 9 " (cutoff:3.500A) Processing sheet with id= BF, first strand: chain 'CF' and resid 69 through 76 removed outlier: 4.770A pdb=" N LYSCF 69 " --> pdb=" O LYSCF 11 " (cutoff:3.500A) removed outlier: 6.676A pdb=" N GLUCF 9 " --> pdb=" O VALCF 71 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N SERCF 73 " --> pdb=" O LEUCF 7 " (cutoff:3.500A) removed outlier: 6.693A pdb=" N LEUCF 7 " --> pdb=" O SERCF 73 " (cutoff:3.500A) removed outlier: 4.382A pdb=" N VALCF 75 " --> pdb=" O LEUCF 5 " (cutoff:3.500A) removed outlier: 6.563A pdb=" N LEUCF 5 " --> pdb=" O VALCF 75 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N GLYCF 48 " --> pdb=" O ALACF 4 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N GLYCF 33 " --> pdb=" O METCF 45 " (cutoff:3.500A) removed outlier: 6.665A pdb=" N LYSCF 47 " --> pdb=" O LEUCF 31 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUCF 31 " --> pdb=" O LYSCF 47 " (cutoff:3.500A) Processing sheet with id= BG, first strand: chain 'CG' and resid 70 through 76 removed outlier: 6.713A pdb=" N GLUCG 9 " --> pdb=" O VALCG 71 " (cutoff:3.500A) removed outlier: 4.382A pdb=" N SERCG 73 " --> pdb=" O LEUCG 7 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LEUCG 7 " --> pdb=" O SERCG 73 " (cutoff:3.500A) removed outlier: 4.502A pdb=" N VALCG 75 " --> pdb=" O LEUCG 5 " (cutoff:3.500A) removed outlier: 6.637A pdb=" N LEUCG 5 " --> pdb=" O VALCG 75 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N GLYCG 48 " --> pdb=" O ALACG 4 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N METCG 45 " --> pdb=" O GLYCG 33 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLYCG 33 " --> pdb=" O METCG 45 " (cutoff:3.500A) removed outlier: 6.763A pdb=" N LYSCG 47 " --> pdb=" O LEUCG 31 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N LEUCG 31 " --> pdb=" O LYSCG 47 " (cutoff:3.500A) Processing sheet with id= BH, first strand: chain 'CH' and resid 70 through 76 removed outlier: 6.681A pdb=" N GLUCH 9 " --> pdb=" O VALCH 71 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N SERCH 73 " --> pdb=" O LEUCH 7 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEUCH 7 " --> pdb=" O SERCH 73 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VALCH 75 " --> pdb=" O LEUCH 5 " (cutoff:3.500A) removed outlier: 6.485A pdb=" N LEUCH 5 " --> pdb=" O VALCH 75 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N GLYCH 48 " --> pdb=" O ALACH 4 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N GLYCH 33 " --> pdb=" O METCH 45 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N LYSCH 47 " --> pdb=" O LEUCH 31 " (cutoff:3.500A) removed outlier: 5.433A pdb=" N LEUCH 31 " --> pdb=" O LYSCH 47 " (cutoff:3.500A) Processing sheet with id= BI, first strand: chain 'CI' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUCI 26 " --> pdb=" O THRCI 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISCI 9 " --> pdb=" O LEUCI 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUCI 24 " --> pdb=" O HISCI 9 " (cutoff:3.500A) Processing sheet with id= BJ, first strand: chain 'CJ' and resid 69 through 76 removed outlier: 4.752A pdb=" N LYSCJ 69 " --> pdb=" O LYSCJ 11 " (cutoff:3.500A) removed outlier: 6.669A pdb=" N GLUCJ 9 " --> pdb=" O VALCJ 71 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N SERCJ 73 " --> pdb=" O LEUCJ 7 " (cutoff:3.500A) removed outlier: 6.729A pdb=" N LEUCJ 7 " --> pdb=" O SERCJ 73 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N VALCJ 75 " --> pdb=" O LEUCJ 5 " (cutoff:3.500A) removed outlier: 6.583A pdb=" N LEUCJ 5 " --> pdb=" O VALCJ 75 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLYCJ 48 " --> pdb=" O ALACJ 4 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N GLYCJ 33 " --> pdb=" O METCJ 45 " (cutoff:3.500A) removed outlier: 6.666A pdb=" N LYSCJ 47 " --> pdb=" O LEUCJ 31 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N LEUCJ 31 " --> pdb=" O LYSCJ 47 " (cutoff:3.500A) Processing sheet with id= BK, first strand: chain 'CK' and resid 70 through 76 removed outlier: 6.651A pdb=" N GLUCK 9 " --> pdb=" O VALCK 71 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N SERCK 73 " --> pdb=" O LEUCK 7 " (cutoff:3.500A) removed outlier: 6.650A pdb=" N LEUCK 7 " --> pdb=" O SERCK 73 " (cutoff:3.500A) removed outlier: 4.523A pdb=" N VALCK 75 " --> pdb=" O LEUCK 5 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N LEUCK 5 " --> pdb=" O VALCK 75 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N GLYCK 48 " --> pdb=" O ALACK 4 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N METCK 45 " --> pdb=" O GLYCK 33 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N GLYCK 33 " --> pdb=" O METCK 45 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N LYSCK 47 " --> pdb=" O LEUCK 31 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N LEUCK 31 " --> pdb=" O LYSCK 47 " (cutoff:3.500A) Processing sheet with id= BL, first strand: chain 'CL' and resid 70 through 76 removed outlier: 6.638A pdb=" N GLUCL 9 " --> pdb=" O VALCL 71 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N SERCL 73 " --> pdb=" O LEUCL 7 " (cutoff:3.500A) removed outlier: 6.667A pdb=" N LEUCL 7 " --> pdb=" O SERCL 73 " (cutoff:3.500A) removed outlier: 4.342A pdb=" N VALCL 75 " --> pdb=" O LEUCL 5 " (cutoff:3.500A) removed outlier: 6.468A pdb=" N LEUCL 5 " --> pdb=" O VALCL 75 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLYCL 48 " --> pdb=" O ALACL 4 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N GLYCL 33 " --> pdb=" O METCL 45 " (cutoff:3.500A) removed outlier: 6.624A pdb=" N LYSCL 47 " --> pdb=" O LEUCL 31 " (cutoff:3.500A) removed outlier: 5.469A pdb=" N LEUCL 31 " --> pdb=" O LYSCL 47 " (cutoff:3.500A) Processing sheet with id= BM, first strand: chain 'CM' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUCM 26 " --> pdb=" O THRCM 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISCM 9 " --> pdb=" O LEUCM 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUCM 24 " --> pdb=" O HISCM 9 " (cutoff:3.500A) Processing sheet with id= BN, first strand: chain 'CN' and resid 69 through 76 removed outlier: 4.750A pdb=" N LYSCN 69 " --> pdb=" O LYSCN 11 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLUCN 9 " --> pdb=" O VALCN 71 " (cutoff:3.500A) removed outlier: 4.262A pdb=" N SERCN 73 " --> pdb=" O LEUCN 7 " (cutoff:3.500A) removed outlier: 6.725A pdb=" N LEUCN 7 " --> pdb=" O SERCN 73 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N VALCN 75 " --> pdb=" O LEUCN 5 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N LEUCN 5 " --> pdb=" O VALCN 75 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N GLYCN 48 " --> pdb=" O ALACN 4 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLYCN 33 " --> pdb=" O METCN 45 " (cutoff:3.500A) removed outlier: 6.667A pdb=" N LYSCN 47 " --> pdb=" O LEUCN 31 " (cutoff:3.500A) removed outlier: 5.714A pdb=" N LEUCN 31 " --> pdb=" O LYSCN 47 " (cutoff:3.500A) Processing sheet with id= BO, first strand: chain 'CO' and resid 70 through 76 removed outlier: 6.672A pdb=" N GLUCO 9 " --> pdb=" O VALCO 71 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N SERCO 73 " --> pdb=" O LEUCO 7 " (cutoff:3.500A) removed outlier: 6.624A pdb=" N LEUCO 7 " --> pdb=" O SERCO 73 " (cutoff:3.500A) removed outlier: 4.499A pdb=" N VALCO 75 " --> pdb=" O LEUCO 5 " (cutoff:3.500A) removed outlier: 6.647A pdb=" N LEUCO 5 " --> pdb=" O VALCO 75 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N GLYCO 48 " --> pdb=" O ALACO 4 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N METCO 45 " --> pdb=" O GLYCO 33 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N GLYCO 33 " --> pdb=" O METCO 45 " (cutoff:3.500A) removed outlier: 6.719A pdb=" N LYSCO 47 " --> pdb=" O LEUCO 31 " (cutoff:3.500A) removed outlier: 5.546A pdb=" N LEUCO 31 " --> pdb=" O LYSCO 47 " (cutoff:3.500A) Processing sheet with id= BP, first strand: chain 'CP' and resid 70 through 76 removed outlier: 6.674A pdb=" N GLUCP 9 " --> pdb=" O VALCP 71 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N SERCP 73 " --> pdb=" O LEUCP 7 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N LEUCP 7 " --> pdb=" O SERCP 73 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VALCP 75 " --> pdb=" O LEUCP 5 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N LEUCP 5 " --> pdb=" O VALCP 75 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLYCP 48 " --> pdb=" O ALACP 4 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N GLYCP 33 " --> pdb=" O METCP 45 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LYSCP 47 " --> pdb=" O LEUCP 31 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N LEUCP 31 " --> pdb=" O LYSCP 47 " (cutoff:3.500A) Processing sheet with id= BQ, first strand: chain 'CQ' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUCQ 26 " --> pdb=" O THRCQ 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISCQ 9 " --> pdb=" O LEUCQ 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUCQ 24 " --> pdb=" O HISCQ 9 " (cutoff:3.500A) Processing sheet with id= BR, first strand: chain 'CR' and resid 69 through 76 removed outlier: 4.769A pdb=" N LYSCR 69 " --> pdb=" O LYSCR 11 " (cutoff:3.500A) removed outlier: 6.671A pdb=" N GLUCR 9 " --> pdb=" O VALCR 71 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N SERCR 73 " --> pdb=" O LEUCR 7 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N LEUCR 7 " --> pdb=" O SERCR 73 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N VALCR 75 " --> pdb=" O LEUCR 5 " (cutoff:3.500A) removed outlier: 6.552A pdb=" N LEUCR 5 " --> pdb=" O VALCR 75 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N GLYCR 48 " --> pdb=" O ALACR 4 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLYCR 33 " --> pdb=" O METCR 45 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N LYSCR 47 " --> pdb=" O LEUCR 31 " (cutoff:3.500A) removed outlier: 5.700A pdb=" N LEUCR 31 " --> pdb=" O LYSCR 47 " (cutoff:3.500A) Processing sheet with id= BS, first strand: chain 'CS' and resid 70 through 76 removed outlier: 6.674A pdb=" N GLUCS 9 " --> pdb=" O VALCS 71 " (cutoff:3.500A) removed outlier: 4.378A pdb=" N SERCS 73 " --> pdb=" O LEUCS 7 " (cutoff:3.500A) removed outlier: 6.646A pdb=" N LEUCS 7 " --> pdb=" O SERCS 73 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N VALCS 75 " --> pdb=" O LEUCS 5 " (cutoff:3.500A) removed outlier: 6.651A pdb=" N LEUCS 5 " --> pdb=" O VALCS 75 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLYCS 48 " --> pdb=" O ALACS 4 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N METCS 45 " --> pdb=" O GLYCS 33 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N GLYCS 33 " --> pdb=" O METCS 45 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N LYSCS 47 " --> pdb=" O LEUCS 31 " (cutoff:3.500A) removed outlier: 5.585A pdb=" N LEUCS 31 " --> pdb=" O LYSCS 47 " (cutoff:3.500A) Processing sheet with id= BT, first strand: chain 'CT' and resid 70 through 76 removed outlier: 6.684A pdb=" N GLUCT 9 " --> pdb=" O VALCT 71 " (cutoff:3.500A) removed outlier: 4.402A pdb=" N SERCT 73 " --> pdb=" O LEUCT 7 " (cutoff:3.500A) removed outlier: 6.692A pdb=" N LEUCT 7 " --> pdb=" O SERCT 73 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N VALCT 75 " --> pdb=" O LEUCT 5 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N LEUCT 5 " --> pdb=" O VALCT 75 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N GLYCT 48 " --> pdb=" O ALACT 4 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N GLYCT 33 " --> pdb=" O METCT 45 " (cutoff:3.500A) removed outlier: 6.615A pdb=" N LYSCT 47 " --> pdb=" O LEUCT 31 " (cutoff:3.500A) removed outlier: 5.483A pdb=" N LEUCT 31 " --> pdb=" O LYSCT 47 " (cutoff:3.500A) Processing sheet with id= BU, first strand: chain 'CU' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUCU 26 " --> pdb=" O THRCU 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISCU 9 " --> pdb=" O LEUCU 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUCU 24 " --> pdb=" O HISCU 9 " (cutoff:3.500A) Processing sheet with id= BV, first strand: chain 'CV' and resid 69 through 76 removed outlier: 4.760A pdb=" N LYSCV 69 " --> pdb=" O LYSCV 11 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N GLUCV 9 " --> pdb=" O VALCV 71 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N SERCV 73 " --> pdb=" O LEUCV 7 " (cutoff:3.500A) removed outlier: 6.697A pdb=" N LEUCV 7 " --> pdb=" O SERCV 73 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N VALCV 75 " --> pdb=" O LEUCV 5 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N LEUCV 5 " --> pdb=" O VALCV 75 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N GLYCV 48 " --> pdb=" O ALACV 4 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLYCV 33 " --> pdb=" O METCV 45 " (cutoff:3.500A) removed outlier: 6.668A pdb=" N LYSCV 47 " --> pdb=" O LEUCV 31 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N LEUCV 31 " --> pdb=" O LYSCV 47 " (cutoff:3.500A) Processing sheet with id= BW, first strand: chain 'CW' and resid 70 through 76 removed outlier: 6.715A pdb=" N GLUCW 9 " --> pdb=" O VALCW 71 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N SERCW 73 " --> pdb=" O LEUCW 7 " (cutoff:3.500A) removed outlier: 6.628A pdb=" N LEUCW 7 " --> pdb=" O SERCW 73 " (cutoff:3.500A) removed outlier: 4.517A pdb=" N VALCW 75 " --> pdb=" O LEUCW 5 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N LEUCW 5 " --> pdb=" O VALCW 75 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N GLYCW 48 " --> pdb=" O ALACW 4 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N METCW 45 " --> pdb=" O GLYCW 33 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N GLYCW 33 " --> pdb=" O METCW 45 " (cutoff:3.500A) removed outlier: 6.771A pdb=" N LYSCW 47 " --> pdb=" O LEUCW 31 " (cutoff:3.500A) removed outlier: 5.591A pdb=" N LEUCW 31 " --> pdb=" O LYSCW 47 " (cutoff:3.500A) Processing sheet with id= BX, first strand: chain 'CX' and resid 70 through 76 removed outlier: 6.685A pdb=" N GLUCX 9 " --> pdb=" O VALCX 71 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N SERCX 73 " --> pdb=" O LEUCX 7 " (cutoff:3.500A) removed outlier: 6.706A pdb=" N LEUCX 7 " --> pdb=" O SERCX 73 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N VALCX 75 " --> pdb=" O LEUCX 5 " (cutoff:3.500A) removed outlier: 6.485A pdb=" N LEUCX 5 " --> pdb=" O VALCX 75 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N GLYCX 48 " --> pdb=" O ALACX 4 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N GLYCX 33 " --> pdb=" O METCX 45 " (cutoff:3.500A) removed outlier: 6.666A pdb=" N LYSCX 47 " --> pdb=" O LEUCX 31 " (cutoff:3.500A) removed outlier: 5.433A pdb=" N LEUCX 31 " --> pdb=" O LYSCX 47 " (cutoff:3.500A) Processing sheet with id= BY, first strand: chain 'CY' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUCY 26 " --> pdb=" O THRCY 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISCY 9 " --> pdb=" O LEUCY 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUCY 24 " --> pdb=" O HISCY 9 " (cutoff:3.500A) Processing sheet with id= BZ, first strand: chain 'CZ' and resid 69 through 76 removed outlier: 4.741A pdb=" N LYSCZ 69 " --> pdb=" O LYSCZ 11 " (cutoff:3.500A) removed outlier: 6.616A pdb=" N GLUCZ 9 " --> pdb=" O VALCZ 71 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N SERCZ 73 " --> pdb=" O LEUCZ 7 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N LEUCZ 7 " --> pdb=" O SERCZ 73 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N VALCZ 75 " --> pdb=" O LEUCZ 5 " (cutoff:3.500A) removed outlier: 6.582A pdb=" N LEUCZ 5 " --> pdb=" O VALCZ 75 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N GLYCZ 48 " --> pdb=" O ALACZ 4 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N GLYCZ 33 " --> pdb=" O METCZ 45 " (cutoff:3.500A) removed outlier: 6.652A pdb=" N LYSCZ 47 " --> pdb=" O LEUCZ 31 " (cutoff:3.500A) removed outlier: 5.673A pdb=" N LEUCZ 31 " --> pdb=" O LYSCZ 47 " (cutoff:3.500A) Processing sheet with id= CA, first strand: chain 'DA' and resid 70 through 76 removed outlier: 6.681A pdb=" N GLUDA 9 " --> pdb=" O VALDA 71 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N SERDA 73 " --> pdb=" O LEUDA 7 " (cutoff:3.500A) removed outlier: 6.659A pdb=" N LEUDA 7 " --> pdb=" O SERDA 73 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VALDA 75 " --> pdb=" O LEUDA 5 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N LEUDA 5 " --> pdb=" O VALDA 75 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLYDA 48 " --> pdb=" O ALADA 4 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N METDA 45 " --> pdb=" O GLYDA 33 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N GLYDA 33 " --> pdb=" O METDA 45 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N LYSDA 47 " --> pdb=" O LEUDA 31 " (cutoff:3.500A) removed outlier: 5.560A pdb=" N LEUDA 31 " --> pdb=" O LYSDA 47 " (cutoff:3.500A) Processing sheet with id= CB, first strand: chain 'DB' and resid 70 through 76 removed outlier: 6.632A pdb=" N GLUDB 9 " --> pdb=" O VALDB 71 " (cutoff:3.500A) removed outlier: 4.334A pdb=" N SERDB 73 " --> pdb=" O LEUDB 7 " (cutoff:3.500A) removed outlier: 6.667A pdb=" N LEUDB 7 " --> pdb=" O SERDB 73 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N VALDB 75 " --> pdb=" O LEUDB 5 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N LEUDB 5 " --> pdb=" O VALDB 75 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLYDB 48 " --> pdb=" O ALADB 4 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N GLYDB 33 " --> pdb=" O METDB 45 " (cutoff:3.500A) removed outlier: 6.636A pdb=" N LYSDB 47 " --> pdb=" O LEUDB 31 " (cutoff:3.500A) removed outlier: 5.471A pdb=" N LEUDB 31 " --> pdb=" O LYSDB 47 " (cutoff:3.500A) Processing sheet with id= CC, first strand: chain 'DC' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUDC 26 " --> pdb=" O THRDC 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISDC 9 " --> pdb=" O LEUDC 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUDC 24 " --> pdb=" O HISDC 9 " (cutoff:3.500A) Processing sheet with id= CD, first strand: chain 'DD' and resid 69 through 76 removed outlier: 4.750A pdb=" N LYSDD 69 " --> pdb=" O LYSDD 11 " (cutoff:3.500A) removed outlier: 6.711A pdb=" N GLUDD 9 " --> pdb=" O VALDD 71 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N SERDD 73 " --> pdb=" O LEUDD 7 " (cutoff:3.500A) removed outlier: 6.729A pdb=" N LEUDD 7 " --> pdb=" O SERDD 73 " (cutoff:3.500A) removed outlier: 4.383A pdb=" N VALDD 75 " --> pdb=" O LEUDD 5 " (cutoff:3.500A) removed outlier: 6.563A pdb=" N LEUDD 5 " --> pdb=" O VALDD 75 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLYDD 48 " --> pdb=" O ALADD 4 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N GLYDD 33 " --> pdb=" O METDD 45 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N LYSDD 47 " --> pdb=" O LEUDD 31 " (cutoff:3.500A) removed outlier: 5.706A pdb=" N LEUDD 31 " --> pdb=" O LYSDD 47 " (cutoff:3.500A) Processing sheet with id= CE, first strand: chain 'DE' and resid 70 through 76 removed outlier: 6.696A pdb=" N GLUDE 9 " --> pdb=" O VALDE 71 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N SERDE 73 " --> pdb=" O LEUDE 7 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LEUDE 7 " --> pdb=" O SERDE 73 " (cutoff:3.500A) removed outlier: 4.493A pdb=" N VALDE 75 " --> pdb=" O LEUDE 5 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N LEUDE 5 " --> pdb=" O VALDE 75 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N GLYDE 48 " --> pdb=" O ALADE 4 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N METDE 45 " --> pdb=" O GLYDE 33 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLYDE 33 " --> pdb=" O METDE 45 " (cutoff:3.500A) removed outlier: 6.715A pdb=" N LYSDE 47 " --> pdb=" O LEUDE 31 " (cutoff:3.500A) removed outlier: 5.565A pdb=" N LEUDE 31 " --> pdb=" O LYSDE 47 " (cutoff:3.500A) Processing sheet with id= CF, first strand: chain 'DF' and resid 70 through 76 removed outlier: 6.686A pdb=" N GLUDF 9 " --> pdb=" O VALDF 71 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N SERDF 73 " --> pdb=" O LEUDF 7 " (cutoff:3.500A) removed outlier: 6.679A pdb=" N LEUDF 7 " --> pdb=" O SERDF 73 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N VALDF 75 " --> pdb=" O LEUDF 5 " (cutoff:3.500A) removed outlier: 6.472A pdb=" N LEUDF 5 " --> pdb=" O VALDF 75 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N GLYDF 48 " --> pdb=" O ALADF 4 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N GLYDF 33 " --> pdb=" O METDF 45 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N LYSDF 47 " --> pdb=" O LEUDF 31 " (cutoff:3.500A) removed outlier: 5.462A pdb=" N LEUDF 31 " --> pdb=" O LYSDF 47 " (cutoff:3.500A) Processing sheet with id= CG, first strand: chain 'DG' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUDG 26 " --> pdb=" O THRDG 7 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N HISDG 9 " --> pdb=" O LEUDG 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUDG 24 " --> pdb=" O HISDG 9 " (cutoff:3.500A) Processing sheet with id= CH, first strand: chain 'DH' and resid 69 through 76 removed outlier: 4.747A pdb=" N LYSDH 69 " --> pdb=" O LYSDH 11 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N GLUDH 9 " --> pdb=" O VALDH 71 " (cutoff:3.500A) removed outlier: 4.283A pdb=" N SERDH 73 " --> pdb=" O LEUDH 7 " (cutoff:3.500A) removed outlier: 6.700A pdb=" N LEUDH 7 " --> pdb=" O SERDH 73 " (cutoff:3.500A) removed outlier: 4.384A pdb=" N VALDH 75 " --> pdb=" O LEUDH 5 " (cutoff:3.500A) removed outlier: 6.565A pdb=" N LEUDH 5 " --> pdb=" O VALDH 75 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N GLYDH 48 " --> pdb=" O ALADH 4 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N GLYDH 33 " --> pdb=" O METDH 45 " (cutoff:3.500A) removed outlier: 6.637A pdb=" N LYSDH 47 " --> pdb=" O LEUDH 31 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LEUDH 31 " --> pdb=" O LYSDH 47 " (cutoff:3.500A) Processing sheet with id= CI, first strand: chain 'DI' and resid 70 through 76 removed outlier: 6.724A pdb=" N GLUDI 9 " --> pdb=" O VALDI 71 " (cutoff:3.500A) removed outlier: 4.387A pdb=" N SERDI 73 " --> pdb=" O LEUDI 7 " (cutoff:3.500A) removed outlier: 6.646A pdb=" N LEUDI 7 " --> pdb=" O SERDI 73 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N VALDI 75 " --> pdb=" O LEUDI 5 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LEUDI 5 " --> pdb=" O VALDI 75 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N GLYDI 48 " --> pdb=" O ALADI 4 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N METDI 45 " --> pdb=" O GLYDI 33 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N GLYDI 33 " --> pdb=" O METDI 45 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N LYSDI 47 " --> pdb=" O LEUDI 31 " (cutoff:3.500A) removed outlier: 5.588A pdb=" N LEUDI 31 " --> pdb=" O LYSDI 47 " (cutoff:3.500A) Processing sheet with id= CJ, first strand: chain 'DJ' and resid 70 through 76 removed outlier: 6.681A pdb=" N GLUDJ 9 " --> pdb=" O VALDJ 71 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N SERDJ 73 " --> pdb=" O LEUDJ 7 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N LEUDJ 7 " --> pdb=" O SERDJ 73 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VALDJ 75 " --> pdb=" O LEUDJ 5 " (cutoff:3.500A) removed outlier: 6.485A pdb=" N LEUDJ 5 " --> pdb=" O VALDJ 75 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N GLYDJ 48 " --> pdb=" O ALADJ 4 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N GLYDJ 33 " --> pdb=" O METDJ 45 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N LYSDJ 47 " --> pdb=" O LEUDJ 31 " (cutoff:3.500A) removed outlier: 5.445A pdb=" N LEUDJ 31 " --> pdb=" O LYSDJ 47 " (cutoff:3.500A) Processing sheet with id= CK, first strand: chain 'DK' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUDK 26 " --> pdb=" O THRDK 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISDK 9 " --> pdb=" O LEUDK 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUDK 24 " --> pdb=" O HISDK 9 " (cutoff:3.500A) Processing sheet with id= CL, first strand: chain 'DL' and resid 69 through 76 removed outlier: 4.772A pdb=" N LYSDL 69 " --> pdb=" O LYSDL 11 " (cutoff:3.500A) removed outlier: 6.672A pdb=" N GLUDL 9 " --> pdb=" O VALDL 71 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N SERDL 73 " --> pdb=" O LEUDL 7 " (cutoff:3.500A) removed outlier: 6.731A pdb=" N LEUDL 7 " --> pdb=" O SERDL 73 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N VALDL 75 " --> pdb=" O LEUDL 5 " (cutoff:3.500A) removed outlier: 6.558A pdb=" N LEUDL 5 " --> pdb=" O VALDL 75 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N GLYDL 48 " --> pdb=" O ALADL 4 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLYDL 33 " --> pdb=" O METDL 45 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N LYSDL 47 " --> pdb=" O LEUDL 31 " (cutoff:3.500A) removed outlier: 5.692A pdb=" N LEUDL 31 " --> pdb=" O LYSDL 47 " (cutoff:3.500A) Processing sheet with id= CM, first strand: chain 'DM' and resid 70 through 76 removed outlier: 6.666A pdb=" N GLUDM 9 " --> pdb=" O VALDM 71 " (cutoff:3.500A) removed outlier: 4.365A pdb=" N SERDM 73 " --> pdb=" O LEUDM 7 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LEUDM 7 " --> pdb=" O SERDM 73 " (cutoff:3.500A) removed outlier: 4.492A pdb=" N VALDM 75 " --> pdb=" O LEUDM 5 " (cutoff:3.500A) removed outlier: 6.653A pdb=" N LEUDM 5 " --> pdb=" O VALDM 75 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N GLYDM 48 " --> pdb=" O ALADM 4 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N METDM 45 " --> pdb=" O GLYDM 33 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N GLYDM 33 " --> pdb=" O METDM 45 " (cutoff:3.500A) removed outlier: 6.786A pdb=" N LYSDM 47 " --> pdb=" O LEUDM 31 " (cutoff:3.500A) removed outlier: 5.562A pdb=" N LEUDM 31 " --> pdb=" O LYSDM 47 " (cutoff:3.500A) Processing sheet with id= CN, first strand: chain 'DN' and resid 70 through 76 removed outlier: 6.681A pdb=" N GLUDN 9 " --> pdb=" O VALDN 71 " (cutoff:3.500A) removed outlier: 4.401A pdb=" N SERDN 73 " --> pdb=" O LEUDN 7 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N LEUDN 7 " --> pdb=" O SERDN 73 " (cutoff:3.500A) removed outlier: 4.362A pdb=" N VALDN 75 " --> pdb=" O LEUDN 5 " (cutoff:3.500A) removed outlier: 6.483A pdb=" N LEUDN 5 " --> pdb=" O VALDN 75 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N GLYDN 48 " --> pdb=" O ALADN 4 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLYDN 33 " --> pdb=" O METDN 45 " (cutoff:3.500A) removed outlier: 6.623A pdb=" N LYSDN 47 " --> pdb=" O LEUDN 31 " (cutoff:3.500A) removed outlier: 5.462A pdb=" N LEUDN 31 " --> pdb=" O LYSDN 47 " (cutoff:3.500A) Processing sheet with id= CO, first strand: chain 'DO' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUDO 26 " --> pdb=" O THRDO 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISDO 9 " --> pdb=" O LEUDO 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUDO 24 " --> pdb=" O HISDO 9 " (cutoff:3.500A) Processing sheet with id= CP, first strand: chain 'DP' and resid 69 through 76 removed outlier: 4.789A pdb=" N LYSDP 69 " --> pdb=" O LYSDP 11 " (cutoff:3.500A) removed outlier: 6.672A pdb=" N GLUDP 9 " --> pdb=" O VALDP 71 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N SERDP 73 " --> pdb=" O LEUDP 7 " (cutoff:3.500A) removed outlier: 6.702A pdb=" N LEUDP 7 " --> pdb=" O SERDP 73 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N VALDP 75 " --> pdb=" O LEUDP 5 " (cutoff:3.500A) removed outlier: 6.599A pdb=" N LEUDP 5 " --> pdb=" O VALDP 75 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLYDP 48 " --> pdb=" O ALADP 4 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLYDP 33 " --> pdb=" O METDP 45 " (cutoff:3.500A) removed outlier: 6.680A pdb=" N LYSDP 47 " --> pdb=" O LEUDP 31 " (cutoff:3.500A) removed outlier: 5.674A pdb=" N LEUDP 31 " --> pdb=" O LYSDP 47 " (cutoff:3.500A) Processing sheet with id= CQ, first strand: chain 'DQ' and resid 70 through 76 removed outlier: 6.734A pdb=" N GLUDQ 9 " --> pdb=" O VALDQ 71 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N SERDQ 73 " --> pdb=" O LEUDQ 7 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LEUDQ 7 " --> pdb=" O SERDQ 73 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N VALDQ 75 " --> pdb=" O LEUDQ 5 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N LEUDQ 5 " --> pdb=" O VALDQ 75 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N GLYDQ 48 " --> pdb=" O ALADQ 4 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N METDQ 45 " --> pdb=" O GLYDQ 33 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLYDQ 33 " --> pdb=" O METDQ 45 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LYSDQ 47 " --> pdb=" O LEUDQ 31 " (cutoff:3.500A) removed outlier: 5.588A pdb=" N LEUDQ 31 " --> pdb=" O LYSDQ 47 " (cutoff:3.500A) Processing sheet with id= CR, first strand: chain 'DR' and resid 70 through 76 removed outlier: 6.644A pdb=" N GLUDR 9 " --> pdb=" O VALDR 71 " (cutoff:3.500A) removed outlier: 4.324A pdb=" N SERDR 73 " --> pdb=" O LEUDR 7 " (cutoff:3.500A) removed outlier: 6.669A pdb=" N LEUDR 7 " --> pdb=" O SERDR 73 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N VALDR 75 " --> pdb=" O LEUDR 5 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N LEUDR 5 " --> pdb=" O VALDR 75 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N GLYDR 48 " --> pdb=" O ALADR 4 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N GLYDR 33 " --> pdb=" O METDR 45 " (cutoff:3.500A) removed outlier: 6.621A pdb=" N LYSDR 47 " --> pdb=" O LEUDR 31 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N LEUDR 31 " --> pdb=" O LYSDR 47 " (cutoff:3.500A) Processing sheet with id= CS, first strand: chain 'DS' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUDS 26 " --> pdb=" O THRDS 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISDS 9 " --> pdb=" O LEUDS 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUDS 24 " --> pdb=" O HISDS 9 " (cutoff:3.500A) Processing sheet with id= CT, first strand: chain 'DT' and resid 69 through 76 removed outlier: 4.759A pdb=" N LYSDT 69 " --> pdb=" O LYSDT 11 " (cutoff:3.500A) removed outlier: 6.693A pdb=" N GLUDT 9 " --> pdb=" O VALDT 71 " (cutoff:3.500A) removed outlier: 4.266A pdb=" N SERDT 73 " --> pdb=" O LEUDT 7 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N LEUDT 7 " --> pdb=" O SERDT 73 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N VALDT 75 " --> pdb=" O LEUDT 5 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N LEUDT 5 " --> pdb=" O VALDT 75 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N GLYDT 48 " --> pdb=" O ALADT 4 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N GLYDT 33 " --> pdb=" O METDT 45 " (cutoff:3.500A) removed outlier: 6.659A pdb=" N LYSDT 47 " --> pdb=" O LEUDT 31 " (cutoff:3.500A) removed outlier: 5.696A pdb=" N LEUDT 31 " --> pdb=" O LYSDT 47 " (cutoff:3.500A) Processing sheet with id= CU, first strand: chain 'DU' and resid 70 through 76 removed outlier: 6.692A pdb=" N GLUDU 9 " --> pdb=" O VALDU 71 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N SERDU 73 " --> pdb=" O LEUDU 7 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LEUDU 7 " --> pdb=" O SERDU 73 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N VALDU 75 " --> pdb=" O LEUDU 5 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N LEUDU 5 " --> pdb=" O VALDU 75 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N GLYDU 48 " --> pdb=" O ALADU 4 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N METDU 45 " --> pdb=" O GLYDU 33 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N GLYDU 33 " --> pdb=" O METDU 45 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LYSDU 47 " --> pdb=" O LEUDU 31 " (cutoff:3.500A) removed outlier: 5.547A pdb=" N LEUDU 31 " --> pdb=" O LYSDU 47 " (cutoff:3.500A) Processing sheet with id= CV, first strand: chain 'DV' and resid 70 through 76 removed outlier: 6.699A pdb=" N GLUDV 9 " --> pdb=" O VALDV 71 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N SERDV 73 " --> pdb=" O LEUDV 7 " (cutoff:3.500A) removed outlier: 6.706A pdb=" N LEUDV 7 " --> pdb=" O SERDV 73 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N VALDV 75 " --> pdb=" O LEUDV 5 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N LEUDV 5 " --> pdb=" O VALDV 75 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N GLYDV 48 " --> pdb=" O ALADV 4 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N GLYDV 33 " --> pdb=" O METDV 45 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N LYSDV 47 " --> pdb=" O LEUDV 31 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N LEUDV 31 " --> pdb=" O LYSDV 47 " (cutoff:3.500A) Processing sheet with id= CW, first strand: chain 'DW' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUDW 26 " --> pdb=" O THRDW 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISDW 9 " --> pdb=" O LEUDW 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUDW 24 " --> pdb=" O HISDW 9 " (cutoff:3.500A) Processing sheet with id= CX, first strand: chain 'DX' and resid 69 through 76 removed outlier: 4.765A pdb=" N LYSDX 69 " --> pdb=" O LYSDX 11 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N GLUDX 9 " --> pdb=" O VALDX 71 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N SERDX 73 " --> pdb=" O LEUDX 7 " (cutoff:3.500A) removed outlier: 6.692A pdb=" N LEUDX 7 " --> pdb=" O SERDX 73 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N VALDX 75 " --> pdb=" O LEUDX 5 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEUDX 5 " --> pdb=" O VALDX 75 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N GLYDX 48 " --> pdb=" O ALADX 4 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLYDX 33 " --> pdb=" O METDX 45 " (cutoff:3.500A) removed outlier: 6.659A pdb=" N LYSDX 47 " --> pdb=" O LEUDX 31 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUDX 31 " --> pdb=" O LYSDX 47 " (cutoff:3.500A) Processing sheet with id= CY, first strand: chain 'DY' and resid 70 through 76 removed outlier: 6.702A pdb=" N GLUDY 9 " --> pdb=" O VALDY 71 " (cutoff:3.500A) removed outlier: 4.364A pdb=" N SERDY 73 " --> pdb=" O LEUDY 7 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LEUDY 7 " --> pdb=" O SERDY 73 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N VALDY 75 " --> pdb=" O LEUDY 5 " (cutoff:3.500A) removed outlier: 6.635A pdb=" N LEUDY 5 " --> pdb=" O VALDY 75 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N GLYDY 48 " --> pdb=" O ALADY 4 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N METDY 45 " --> pdb=" O GLYDY 33 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLYDY 33 " --> pdb=" O METDY 45 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N LYSDY 47 " --> pdb=" O LEUDY 31 " (cutoff:3.500A) removed outlier: 5.586A pdb=" N LEUDY 31 " --> pdb=" O LYSDY 47 " (cutoff:3.500A) Processing sheet with id= CZ, first strand: chain 'DZ' and resid 70 through 76 removed outlier: 6.674A pdb=" N GLUDZ 9 " --> pdb=" O VALDZ 71 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N SERDZ 73 " --> pdb=" O LEUDZ 7 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N LEUDZ 7 " --> pdb=" O SERDZ 73 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N VALDZ 75 " --> pdb=" O LEUDZ 5 " (cutoff:3.500A) removed outlier: 6.483A pdb=" N LEUDZ 5 " --> pdb=" O VALDZ 75 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N GLYDZ 48 " --> pdb=" O ALADZ 4 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N GLYDZ 33 " --> pdb=" O METDZ 45 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N LYSDZ 47 " --> pdb=" O LEUDZ 31 " (cutoff:3.500A) removed outlier: 5.426A pdb=" N LEUDZ 31 " --> pdb=" O LYSDZ 47 " (cutoff:3.500A) Processing sheet with id= DA, first strand: chain 'EA' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUEA 26 " --> pdb=" O THREA 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISEA 9 " --> pdb=" O LEUEA 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUEA 24 " --> pdb=" O HISEA 9 " (cutoff:3.500A) Processing sheet with id= DB, first strand: chain 'EB' and resid 69 through 76 removed outlier: 4.778A pdb=" N LYSEB 69 " --> pdb=" O LYSEB 11 " (cutoff:3.500A) removed outlier: 6.680A pdb=" N GLUEB 9 " --> pdb=" O VALEB 71 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N SEREB 73 " --> pdb=" O LEUEB 7 " (cutoff:3.500A) removed outlier: 6.734A pdb=" N LEUEB 7 " --> pdb=" O SEREB 73 " (cutoff:3.500A) removed outlier: 4.399A pdb=" N VALEB 75 " --> pdb=" O LEUEB 5 " (cutoff:3.500A) removed outlier: 6.557A pdb=" N LEUEB 5 " --> pdb=" O VALEB 75 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N GLYEB 48 " --> pdb=" O ALAEB 4 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLYEB 33 " --> pdb=" O METEB 45 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N LYSEB 47 " --> pdb=" O LEUEB 31 " (cutoff:3.500A) removed outlier: 5.690A pdb=" N LEUEB 31 " --> pdb=" O LYSEB 47 " (cutoff:3.500A) Processing sheet with id= DC, first strand: chain 'EC' and resid 70 through 76 removed outlier: 6.669A pdb=" N GLUEC 9 " --> pdb=" O VALEC 71 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N SEREC 73 " --> pdb=" O LEUEC 7 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LEUEC 7 " --> pdb=" O SEREC 73 " (cutoff:3.500A) removed outlier: 4.491A pdb=" N VALEC 75 " --> pdb=" O LEUEC 5 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N LEUEC 5 " --> pdb=" O VALEC 75 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLYEC 48 " --> pdb=" O ALAEC 4 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N METEC 45 " --> pdb=" O GLYEC 33 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N GLYEC 33 " --> pdb=" O METEC 45 " (cutoff:3.500A) removed outlier: 6.777A pdb=" N LYSEC 47 " --> pdb=" O LEUEC 31 " (cutoff:3.500A) removed outlier: 5.564A pdb=" N LEUEC 31 " --> pdb=" O LYSEC 47 " (cutoff:3.500A) Processing sheet with id= DD, first strand: chain 'ED' and resid 70 through 76 removed outlier: 6.676A pdb=" N GLUED 9 " --> pdb=" O VALED 71 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N SERED 73 " --> pdb=" O LEUED 7 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N LEUED 7 " --> pdb=" O SERED 73 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VALED 75 " --> pdb=" O LEUED 5 " (cutoff:3.500A) removed outlier: 6.485A pdb=" N LEUED 5 " --> pdb=" O VALED 75 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N GLYED 48 " --> pdb=" O ALAED 4 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLYED 33 " --> pdb=" O METED 45 " (cutoff:3.500A) removed outlier: 6.622A pdb=" N LYSED 47 " --> pdb=" O LEUED 31 " (cutoff:3.500A) removed outlier: 5.462A pdb=" N LEUED 31 " --> pdb=" O LYSED 47 " (cutoff:3.500A) Processing sheet with id= DE, first strand: chain 'EE' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUEE 26 " --> pdb=" O THREE 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISEE 9 " --> pdb=" O LEUEE 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUEE 24 " --> pdb=" O HISEE 9 " (cutoff:3.500A) Processing sheet with id= DF, first strand: chain 'EF' and resid 69 through 76 removed outlier: 4.742A pdb=" N LYSEF 69 " --> pdb=" O LYSEF 11 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N GLUEF 9 " --> pdb=" O VALEF 71 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N SEREF 73 " --> pdb=" O LEUEF 7 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N LEUEF 7 " --> pdb=" O SEREF 73 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N VALEF 75 " --> pdb=" O LEUEF 5 " (cutoff:3.500A) removed outlier: 6.566A pdb=" N LEUEF 5 " --> pdb=" O VALEF 75 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N GLYEF 48 " --> pdb=" O ALAEF 4 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N GLYEF 33 " --> pdb=" O METEF 45 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N LYSEF 47 " --> pdb=" O LEUEF 31 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUEF 31 " --> pdb=" O LYSEF 47 " (cutoff:3.500A) Processing sheet with id= DG, first strand: chain 'EG' and resid 70 through 76 removed outlier: 6.687A pdb=" N GLUEG 9 " --> pdb=" O VALEG 71 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N SEREG 73 " --> pdb=" O LEUEG 7 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LEUEG 7 " --> pdb=" O SEREG 73 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N VALEG 75 " --> pdb=" O LEUEG 5 " (cutoff:3.500A) removed outlier: 6.645A pdb=" N LEUEG 5 " --> pdb=" O VALEG 75 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N GLYEG 48 " --> pdb=" O ALAEG 4 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N METEG 45 " --> pdb=" O GLYEG 33 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N GLYEG 33 " --> pdb=" O METEG 45 " (cutoff:3.500A) removed outlier: 6.710A pdb=" N LYSEG 47 " --> pdb=" O LEUEG 31 " (cutoff:3.500A) removed outlier: 5.560A pdb=" N LEUEG 31 " --> pdb=" O LYSEG 47 " (cutoff:3.500A) Processing sheet with id= DH, first strand: chain 'EH' and resid 70 through 76 removed outlier: 6.678A pdb=" N GLUEH 9 " --> pdb=" O VALEH 71 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N SEREH 73 " --> pdb=" O LEUEH 7 " (cutoff:3.500A) removed outlier: 6.676A pdb=" N LEUEH 7 " --> pdb=" O SEREH 73 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VALEH 75 " --> pdb=" O LEUEH 5 " (cutoff:3.500A) removed outlier: 6.470A pdb=" N LEUEH 5 " --> pdb=" O VALEH 75 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLYEH 48 " --> pdb=" O ALAEH 4 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N GLYEH 33 " --> pdb=" O METEH 45 " (cutoff:3.500A) removed outlier: 6.631A pdb=" N LYSEH 47 " --> pdb=" O LEUEH 31 " (cutoff:3.500A) removed outlier: 5.458A pdb=" N LEUEH 31 " --> pdb=" O LYSEH 47 " (cutoff:3.500A) Processing sheet with id= DI, first strand: chain 'EI' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUEI 26 " --> pdb=" O THREI 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISEI 9 " --> pdb=" O LEUEI 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUEI 24 " --> pdb=" O HISEI 9 " (cutoff:3.500A) Processing sheet with id= DJ, first strand: chain 'EJ' and resid 69 through 76 removed outlier: 4.756A pdb=" N LYSEJ 69 " --> pdb=" O LYSEJ 11 " (cutoff:3.500A) removed outlier: 6.682A pdb=" N GLUEJ 9 " --> pdb=" O VALEJ 71 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N SEREJ 73 " --> pdb=" O LEUEJ 7 " (cutoff:3.500A) removed outlier: 6.730A pdb=" N LEUEJ 7 " --> pdb=" O SEREJ 73 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N VALEJ 75 " --> pdb=" O LEUEJ 5 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N LEUEJ 5 " --> pdb=" O VALEJ 75 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLYEJ 48 " --> pdb=" O ALAEJ 4 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N GLYEJ 33 " --> pdb=" O METEJ 45 " (cutoff:3.500A) removed outlier: 6.679A pdb=" N LYSEJ 47 " --> pdb=" O LEUEJ 31 " (cutoff:3.500A) removed outlier: 5.691A pdb=" N LEUEJ 31 " --> pdb=" O LYSEJ 47 " (cutoff:3.500A) Processing sheet with id= DK, first strand: chain 'EK' and resid 70 through 76 removed outlier: 6.721A pdb=" N GLUEK 9 " --> pdb=" O VALEK 71 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N SEREK 73 " --> pdb=" O LEUEK 7 " (cutoff:3.500A) removed outlier: 6.644A pdb=" N LEUEK 7 " --> pdb=" O SEREK 73 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N VALEK 75 " --> pdb=" O LEUEK 5 " (cutoff:3.500A) removed outlier: 6.670A pdb=" N LEUEK 5 " --> pdb=" O VALEK 75 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLYEK 48 " --> pdb=" O ALAEK 4 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N METEK 45 " --> pdb=" O GLYEK 33 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N GLYEK 33 " --> pdb=" O METEK 45 " (cutoff:3.500A) removed outlier: 6.772A pdb=" N LYSEK 47 " --> pdb=" O LEUEK 31 " (cutoff:3.500A) removed outlier: 5.561A pdb=" N LEUEK 31 " --> pdb=" O LYSEK 47 " (cutoff:3.500A) Processing sheet with id= DL, first strand: chain 'EL' and resid 70 through 76 removed outlier: 6.686A pdb=" N GLUEL 9 " --> pdb=" O VALEL 71 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N SEREL 73 " --> pdb=" O LEUEL 7 " (cutoff:3.500A) removed outlier: 6.682A pdb=" N LEUEL 7 " --> pdb=" O SEREL 73 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N VALEL 75 " --> pdb=" O LEUEL 5 " (cutoff:3.500A) removed outlier: 6.501A pdb=" N LEUEL 5 " --> pdb=" O VALEL 75 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N GLYEL 48 " --> pdb=" O ALAEL 4 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLYEL 33 " --> pdb=" O METEL 45 " (cutoff:3.500A) removed outlier: 6.613A pdb=" N LYSEL 47 " --> pdb=" O LEUEL 31 " (cutoff:3.500A) removed outlier: 5.487A pdb=" N LEUEL 31 " --> pdb=" O LYSEL 47 " (cutoff:3.500A) Processing sheet with id= DM, first strand: chain 'EM' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUEM 26 " --> pdb=" O THREM 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISEM 9 " --> pdb=" O LEUEM 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUEM 24 " --> pdb=" O HISEM 9 " (cutoff:3.500A) Processing sheet with id= DN, first strand: chain 'EN' and resid 69 through 76 removed outlier: 4.745A pdb=" N LYSEN 69 " --> pdb=" O LYSEN 11 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLUEN 9 " --> pdb=" O VALEN 71 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N SEREN 73 " --> pdb=" O LEUEN 7 " (cutoff:3.500A) removed outlier: 6.720A pdb=" N LEUEN 7 " --> pdb=" O SEREN 73 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N VALEN 75 " --> pdb=" O LEUEN 5 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N LEUEN 5 " --> pdb=" O VALEN 75 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLYEN 48 " --> pdb=" O ALAEN 4 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N GLYEN 33 " --> pdb=" O METEN 45 " (cutoff:3.500A) removed outlier: 6.659A pdb=" N LYSEN 47 " --> pdb=" O LEUEN 31 " (cutoff:3.500A) removed outlier: 5.682A pdb=" N LEUEN 31 " --> pdb=" O LYSEN 47 " (cutoff:3.500A) Processing sheet with id= DO, first strand: chain 'EO' and resid 70 through 76 removed outlier: 6.673A pdb=" N GLUEO 9 " --> pdb=" O VALEO 71 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N SEREO 73 " --> pdb=" O LEUEO 7 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LEUEO 7 " --> pdb=" O SEREO 73 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N VALEO 75 " --> pdb=" O LEUEO 5 " (cutoff:3.500A) removed outlier: 6.631A pdb=" N LEUEO 5 " --> pdb=" O VALEO 75 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N GLYEO 48 " --> pdb=" O ALAEO 4 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N METEO 45 " --> pdb=" O GLYEO 33 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLYEO 33 " --> pdb=" O METEO 45 " (cutoff:3.500A) removed outlier: 6.748A pdb=" N LYSEO 47 " --> pdb=" O LEUEO 31 " (cutoff:3.500A) removed outlier: 5.548A pdb=" N LEUEO 31 " --> pdb=" O LYSEO 47 " (cutoff:3.500A) Processing sheet with id= DP, first strand: chain 'EP' and resid 70 through 76 removed outlier: 6.646A pdb=" N GLUEP 9 " --> pdb=" O VALEP 71 " (cutoff:3.500A) removed outlier: 4.327A pdb=" N SEREP 73 " --> pdb=" O LEUEP 7 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N LEUEP 7 " --> pdb=" O SEREP 73 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N VALEP 75 " --> pdb=" O LEUEP 5 " (cutoff:3.500A) removed outlier: 6.489A pdb=" N LEUEP 5 " --> pdb=" O VALEP 75 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N GLYEP 48 " --> pdb=" O ALAEP 4 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N GLYEP 33 " --> pdb=" O METEP 45 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N LYSEP 47 " --> pdb=" O LEUEP 31 " (cutoff:3.500A) removed outlier: 5.480A pdb=" N LEUEP 31 " --> pdb=" O LYSEP 47 " (cutoff:3.500A) Processing sheet with id= DQ, first strand: chain 'EQ' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUEQ 26 " --> pdb=" O THREQ 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISEQ 9 " --> pdb=" O LEUEQ 24 " (cutoff:3.500A) removed outlier: 7.495A pdb=" N LEUEQ 24 " --> pdb=" O HISEQ 9 " (cutoff:3.500A) Processing sheet with id= DR, first strand: chain 'ER' and resid 69 through 76 removed outlier: 4.774A pdb=" N LYSER 69 " --> pdb=" O LYSER 11 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N GLUER 9 " --> pdb=" O VALER 71 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N SERER 73 " --> pdb=" O LEUER 7 " (cutoff:3.500A) removed outlier: 6.732A pdb=" N LEUER 7 " --> pdb=" O SERER 73 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N VALER 75 " --> pdb=" O LEUER 5 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N LEUER 5 " --> pdb=" O VALER 75 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N GLYER 48 " --> pdb=" O ALAER 4 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLYER 33 " --> pdb=" O METER 45 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N LYSER 47 " --> pdb=" O LEUER 31 " (cutoff:3.500A) removed outlier: 5.696A pdb=" N LEUER 31 " --> pdb=" O LYSER 47 " (cutoff:3.500A) Processing sheet with id= DS, first strand: chain 'ES' and resid 70 through 76 removed outlier: 6.668A pdb=" N GLUES 9 " --> pdb=" O VALES 71 " (cutoff:3.500A) removed outlier: 4.365A pdb=" N SERES 73 " --> pdb=" O LEUES 7 " (cutoff:3.500A) removed outlier: 6.635A pdb=" N LEUES 7 " --> pdb=" O SERES 73 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N VALES 75 " --> pdb=" O LEUES 5 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N LEUES 5 " --> pdb=" O VALES 75 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N GLYES 48 " --> pdb=" O ALAES 4 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N METES 45 " --> pdb=" O GLYES 33 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N GLYES 33 " --> pdb=" O METES 45 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N LYSES 47 " --> pdb=" O LEUES 31 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N LEUES 31 " --> pdb=" O LYSES 47 " (cutoff:3.500A) Processing sheet with id= DT, first strand: chain 'ET' and resid 70 through 76 removed outlier: 6.680A pdb=" N GLUET 9 " --> pdb=" O VALET 71 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N SERET 73 " --> pdb=" O LEUET 7 " (cutoff:3.500A) removed outlier: 6.694A pdb=" N LEUET 7 " --> pdb=" O SERET 73 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N VALET 75 " --> pdb=" O LEUET 5 " (cutoff:3.500A) removed outlier: 6.482A pdb=" N LEUET 5 " --> pdb=" O VALET 75 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N GLYET 48 " --> pdb=" O ALAET 4 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLYET 33 " --> pdb=" O METET 45 " (cutoff:3.500A) removed outlier: 6.623A pdb=" N LYSET 47 " --> pdb=" O LEUET 31 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N LEUET 31 " --> pdb=" O LYSET 47 " (cutoff:3.500A) Processing sheet with id= DU, first strand: chain 'EU' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUEU 26 " --> pdb=" O THREU 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISEU 9 " --> pdb=" O LEUEU 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUEU 24 " --> pdb=" O HISEU 9 " (cutoff:3.500A) Processing sheet with id= DV, first strand: chain 'EV' and resid 69 through 76 removed outlier: 4.785A pdb=" N LYSEV 69 " --> pdb=" O LYSEV 11 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N GLUEV 9 " --> pdb=" O VALEV 71 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N SEREV 73 " --> pdb=" O LEUEV 7 " (cutoff:3.500A) removed outlier: 6.711A pdb=" N LEUEV 7 " --> pdb=" O SEREV 73 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N VALEV 75 " --> pdb=" O LEUEV 5 " (cutoff:3.500A) removed outlier: 6.595A pdb=" N LEUEV 5 " --> pdb=" O VALEV 75 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N GLYEV 48 " --> pdb=" O ALAEV 4 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLYEV 33 " --> pdb=" O METEV 45 " (cutoff:3.500A) removed outlier: 6.688A pdb=" N LYSEV 47 " --> pdb=" O LEUEV 31 " (cutoff:3.500A) removed outlier: 5.686A pdb=" N LEUEV 31 " --> pdb=" O LYSEV 47 " (cutoff:3.500A) Processing sheet with id= DW, first strand: chain 'EW' and resid 70 through 76 removed outlier: 6.738A pdb=" N GLUEW 9 " --> pdb=" O VALEW 71 " (cutoff:3.500A) removed outlier: 4.366A pdb=" N SEREW 73 " --> pdb=" O LEUEW 7 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LEUEW 7 " --> pdb=" O SEREW 73 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N VALEW 75 " --> pdb=" O LEUEW 5 " (cutoff:3.500A) removed outlier: 6.650A pdb=" N LEUEW 5 " --> pdb=" O VALEW 75 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLYEW 48 " --> pdb=" O ALAEW 4 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N METEW 45 " --> pdb=" O GLYEW 33 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLYEW 33 " --> pdb=" O METEW 45 " (cutoff:3.500A) removed outlier: 6.785A pdb=" N LYSEW 47 " --> pdb=" O LEUEW 31 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N LEUEW 31 " --> pdb=" O LYSEW 47 " (cutoff:3.500A) Processing sheet with id= DX, first strand: chain 'EX' and resid 70 through 76 removed outlier: 6.685A pdb=" N GLUEX 9 " --> pdb=" O VALEX 71 " (cutoff:3.500A) removed outlier: 4.348A pdb=" N SEREX 73 " --> pdb=" O LEUEX 7 " (cutoff:3.500A) removed outlier: 6.672A pdb=" N LEUEX 7 " --> pdb=" O SEREX 73 " (cutoff:3.500A) removed outlier: 4.350A pdb=" N VALEX 75 " --> pdb=" O LEUEX 5 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N LEUEX 5 " --> pdb=" O VALEX 75 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N GLYEX 48 " --> pdb=" O ALAEX 4 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N GLYEX 33 " --> pdb=" O METEX 45 " (cutoff:3.500A) removed outlier: 6.615A pdb=" N LYSEX 47 " --> pdb=" O LEUEX 31 " (cutoff:3.500A) removed outlier: 5.463A pdb=" N LEUEX 31 " --> pdb=" O LYSEX 47 " (cutoff:3.500A) Processing sheet with id= DY, first strand: chain 'EY' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUEY 26 " --> pdb=" O THREY 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISEY 9 " --> pdb=" O LEUEY 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUEY 24 " --> pdb=" O HISEY 9 " (cutoff:3.500A) Processing sheet with id= DZ, first strand: chain 'EZ' and resid 69 through 76 removed outlier: 4.733A pdb=" N LYSEZ 69 " --> pdb=" O LYSEZ 11 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N GLUEZ 9 " --> pdb=" O VALEZ 71 " (cutoff:3.500A) removed outlier: 4.268A pdb=" N SEREZ 73 " --> pdb=" O LEUEZ 7 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N LEUEZ 7 " --> pdb=" O SEREZ 73 " (cutoff:3.500A) removed outlier: 4.384A pdb=" N VALEZ 75 " --> pdb=" O LEUEZ 5 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEUEZ 5 " --> pdb=" O VALEZ 75 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N GLYEZ 48 " --> pdb=" O ALAEZ 4 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLYEZ 33 " --> pdb=" O METEZ 45 " (cutoff:3.500A) removed outlier: 6.659A pdb=" N LYSEZ 47 " --> pdb=" O LEUEZ 31 " (cutoff:3.500A) removed outlier: 5.701A pdb=" N LEUEZ 31 " --> pdb=" O LYSEZ 47 " (cutoff:3.500A) Processing sheet with id= EA, first strand: chain 'FA' and resid 70 through 76 removed outlier: 6.683A pdb=" N GLUFA 9 " --> pdb=" O VALFA 71 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N SERFA 73 " --> pdb=" O LEUFA 7 " (cutoff:3.500A) removed outlier: 6.637A pdb=" N LEUFA 7 " --> pdb=" O SERFA 73 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N VALFA 75 " --> pdb=" O LEUFA 5 " (cutoff:3.500A) removed outlier: 6.653A pdb=" N LEUFA 5 " --> pdb=" O VALFA 75 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N GLYFA 48 " --> pdb=" O ALAFA 4 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N METFA 45 " --> pdb=" O GLYFA 33 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N GLYFA 33 " --> pdb=" O METFA 45 " (cutoff:3.500A) removed outlier: 6.713A pdb=" N LYSFA 47 " --> pdb=" O LEUFA 31 " (cutoff:3.500A) removed outlier: 5.543A pdb=" N LEUFA 31 " --> pdb=" O LYSFA 47 " (cutoff:3.500A) Processing sheet with id= EB, first strand: chain 'FB' and resid 70 through 76 removed outlier: 6.648A pdb=" N GLUFB 9 " --> pdb=" O VALFB 71 " (cutoff:3.500A) removed outlier: 4.350A pdb=" N SERFB 73 " --> pdb=" O LEUFB 7 " (cutoff:3.500A) removed outlier: 6.668A pdb=" N LEUFB 7 " --> pdb=" O SERFB 73 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N VALFB 75 " --> pdb=" O LEUFB 5 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N LEUFB 5 " --> pdb=" O VALFB 75 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N GLYFB 48 " --> pdb=" O ALAFB 4 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N GLYFB 33 " --> pdb=" O METFB 45 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYSFB 47 " --> pdb=" O LEUFB 31 " (cutoff:3.500A) removed outlier: 5.468A pdb=" N LEUFB 31 " --> pdb=" O LYSFB 47 " (cutoff:3.500A) Processing sheet with id= EC, first strand: chain 'FC' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUFC 26 " --> pdb=" O THRFC 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISFC 9 " --> pdb=" O LEUFC 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUFC 24 " --> pdb=" O HISFC 9 " (cutoff:3.500A) Processing sheet with id= ED, first strand: chain 'FD' and resid 69 through 76 removed outlier: 4.776A pdb=" N LYSFD 69 " --> pdb=" O LYSFD 11 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N GLUFD 9 " --> pdb=" O VALFD 71 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N SERFD 73 " --> pdb=" O LEUFD 7 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N LEUFD 7 " --> pdb=" O SERFD 73 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N VALFD 75 " --> pdb=" O LEUFD 5 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N LEUFD 5 " --> pdb=" O VALFD 75 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N GLYFD 48 " --> pdb=" O ALAFD 4 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLYFD 33 " --> pdb=" O METFD 45 " (cutoff:3.500A) removed outlier: 6.651A pdb=" N LYSFD 47 " --> pdb=" O LEUFD 31 " (cutoff:3.500A) removed outlier: 5.697A pdb=" N LEUFD 31 " --> pdb=" O LYSFD 47 " (cutoff:3.500A) Processing sheet with id= EE, first strand: chain 'FE' and resid 70 through 76 removed outlier: 6.673A pdb=" N GLUFE 9 " --> pdb=" O VALFE 71 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N SERFE 73 " --> pdb=" O LEUFE 7 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N LEUFE 7 " --> pdb=" O SERFE 73 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N VALFE 75 " --> pdb=" O LEUFE 5 " (cutoff:3.500A) removed outlier: 6.652A pdb=" N LEUFE 5 " --> pdb=" O VALFE 75 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N GLYFE 48 " --> pdb=" O ALAFE 4 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N METFE 45 " --> pdb=" O GLYFE 33 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLYFE 33 " --> pdb=" O METFE 45 " (cutoff:3.500A) removed outlier: 6.827A pdb=" N LYSFE 47 " --> pdb=" O LEUFE 31 " (cutoff:3.500A) removed outlier: 5.573A pdb=" N LEUFE 31 " --> pdb=" O LYSFE 47 " (cutoff:3.500A) Processing sheet with id= EF, first strand: chain 'FF' and resid 70 through 76 removed outlier: 6.690A pdb=" N GLUFF 9 " --> pdb=" O VALFF 71 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N SERFF 73 " --> pdb=" O LEUFF 7 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N LEUFF 7 " --> pdb=" O SERFF 73 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N VALFF 75 " --> pdb=" O LEUFF 5 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N LEUFF 5 " --> pdb=" O VALFF 75 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N GLYFF 48 " --> pdb=" O ALAFF 4 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLYFF 33 " --> pdb=" O METFF 45 " (cutoff:3.500A) removed outlier: 6.611A pdb=" N LYSFF 47 " --> pdb=" O LEUFF 31 " (cutoff:3.500A) removed outlier: 5.468A pdb=" N LEUFF 31 " --> pdb=" O LYSFF 47 " (cutoff:3.500A) Processing sheet with id= EG, first strand: chain 'FG' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUFG 26 " --> pdb=" O THRFG 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISFG 9 " --> pdb=" O LEUFG 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUFG 24 " --> pdb=" O HISFG 9 " (cutoff:3.500A) Processing sheet with id= EH, first strand: chain 'FH' and resid 69 through 76 removed outlier: 4.763A pdb=" N LYSFH 69 " --> pdb=" O LYSFH 11 " (cutoff:3.500A) removed outlier: 6.682A pdb=" N GLUFH 9 " --> pdb=" O VALFH 71 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N SERFH 73 " --> pdb=" O LEUFH 7 " (cutoff:3.500A) removed outlier: 6.700A pdb=" N LEUFH 7 " --> pdb=" O SERFH 73 " (cutoff:3.500A) removed outlier: 4.383A pdb=" N VALFH 75 " --> pdb=" O LEUFH 5 " (cutoff:3.500A) removed outlier: 6.564A pdb=" N LEUFH 5 " --> pdb=" O VALFH 75 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N GLYFH 48 " --> pdb=" O ALAFH 4 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N GLYFH 33 " --> pdb=" O METFH 45 " (cutoff:3.500A) removed outlier: 6.625A pdb=" N LYSFH 47 " --> pdb=" O LEUFH 31 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N LEUFH 31 " --> pdb=" O LYSFH 47 " (cutoff:3.500A) Processing sheet with id= EI, first strand: chain 'FI' and resid 70 through 76 removed outlier: 6.723A pdb=" N GLUFI 9 " --> pdb=" O VALFI 71 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N SERFI 73 " --> pdb=" O LEUFI 7 " (cutoff:3.500A) removed outlier: 6.653A pdb=" N LEUFI 7 " --> pdb=" O SERFI 73 " (cutoff:3.500A) removed outlier: 4.504A pdb=" N VALFI 75 " --> pdb=" O LEUFI 5 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LEUFI 5 " --> pdb=" O VALFI 75 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N GLYFI 48 " --> pdb=" O ALAFI 4 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N METFI 45 " --> pdb=" O GLYFI 33 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLYFI 33 " --> pdb=" O METFI 45 " (cutoff:3.500A) removed outlier: 6.769A pdb=" N LYSFI 47 " --> pdb=" O LEUFI 31 " (cutoff:3.500A) removed outlier: 5.589A pdb=" N LEUFI 31 " --> pdb=" O LYSFI 47 " (cutoff:3.500A) Processing sheet with id= EJ, first strand: chain 'FJ' and resid 70 through 76 removed outlier: 6.677A pdb=" N GLUFJ 9 " --> pdb=" O VALFJ 71 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N SERFJ 73 " --> pdb=" O LEUFJ 7 " (cutoff:3.500A) removed outlier: 6.707A pdb=" N LEUFJ 7 " --> pdb=" O SERFJ 73 " (cutoff:3.500A) removed outlier: 4.364A pdb=" N VALFJ 75 " --> pdb=" O LEUFJ 5 " (cutoff:3.500A) removed outlier: 6.488A pdb=" N LEUFJ 5 " --> pdb=" O VALFJ 75 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N GLYFJ 48 " --> pdb=" O ALAFJ 4 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N GLYFJ 33 " --> pdb=" O METFJ 45 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N LYSFJ 47 " --> pdb=" O LEUFJ 31 " (cutoff:3.500A) removed outlier: 5.437A pdb=" N LEUFJ 31 " --> pdb=" O LYSFJ 47 " (cutoff:3.500A) Processing sheet with id= EK, first strand: chain 'FK' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUFK 26 " --> pdb=" O THRFK 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISFK 9 " --> pdb=" O LEUFK 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUFK 24 " --> pdb=" O HISFK 9 " (cutoff:3.500A) Processing sheet with id= EL, first strand: chain 'FL' and resid 69 through 76 removed outlier: 4.752A pdb=" N LYSFL 69 " --> pdb=" O LYSFL 11 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N GLUFL 9 " --> pdb=" O VALFL 71 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N SERFL 73 " --> pdb=" O LEUFL 7 " (cutoff:3.500A) removed outlier: 6.722A pdb=" N LEUFL 7 " --> pdb=" O SERFL 73 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N VALFL 75 " --> pdb=" O LEUFL 5 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N LEUFL 5 " --> pdb=" O VALFL 75 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLYFL 48 " --> pdb=" O ALAFL 4 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N GLYFL 33 " --> pdb=" O METFL 45 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N LYSFL 47 " --> pdb=" O LEUFL 31 " (cutoff:3.500A) removed outlier: 5.681A pdb=" N LEUFL 31 " --> pdb=" O LYSFL 47 " (cutoff:3.500A) Processing sheet with id= EM, first strand: chain 'FM' and resid 70 through 76 removed outlier: 6.669A pdb=" N GLUFM 9 " --> pdb=" O VALFM 71 " (cutoff:3.500A) removed outlier: 4.384A pdb=" N SERFM 73 " --> pdb=" O LEUFM 7 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N LEUFM 7 " --> pdb=" O SERFM 73 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N VALFM 75 " --> pdb=" O LEUFM 5 " (cutoff:3.500A) removed outlier: 6.653A pdb=" N LEUFM 5 " --> pdb=" O VALFM 75 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N GLYFM 48 " --> pdb=" O ALAFM 4 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N METFM 45 " --> pdb=" O GLYFM 33 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N GLYFM 33 " --> pdb=" O METFM 45 " (cutoff:3.500A) removed outlier: 6.769A pdb=" N LYSFM 47 " --> pdb=" O LEUFM 31 " (cutoff:3.500A) removed outlier: 5.562A pdb=" N LEUFM 31 " --> pdb=" O LYSFM 47 " (cutoff:3.500A) Processing sheet with id= EN, first strand: chain 'FN' and resid 70 through 76 removed outlier: 6.628A pdb=" N GLUFN 9 " --> pdb=" O VALFN 71 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N SERFN 73 " --> pdb=" O LEUFN 7 " (cutoff:3.500A) removed outlier: 6.667A pdb=" N LEUFN 7 " --> pdb=" O SERFN 73 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N VALFN 75 " --> pdb=" O LEUFN 5 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N LEUFN 5 " --> pdb=" O VALFN 75 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N GLYFN 48 " --> pdb=" O ALAFN 4 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N GLYFN 33 " --> pdb=" O METFN 45 " (cutoff:3.500A) removed outlier: 6.635A pdb=" N LYSFN 47 " --> pdb=" O LEUFN 31 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N LEUFN 31 " --> pdb=" O LYSFN 47 " (cutoff:3.500A) Processing sheet with id= EO, first strand: chain 'FO' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUFO 26 " --> pdb=" O THRFO 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISFO 9 " --> pdb=" O LEUFO 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUFO 24 " --> pdb=" O HISFO 9 " (cutoff:3.500A) Processing sheet with id= EP, first strand: chain 'FP' and resid 69 through 76 removed outlier: 4.727A pdb=" N LYSFP 69 " --> pdb=" O LYSFP 11 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N GLUFP 9 " --> pdb=" O VALFP 71 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N SERFP 73 " --> pdb=" O LEUFP 7 " (cutoff:3.500A) removed outlier: 6.734A pdb=" N LEUFP 7 " --> pdb=" O SERFP 73 " (cutoff:3.500A) removed outlier: 4.378A pdb=" N VALFP 75 " --> pdb=" O LEUFP 5 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N LEUFP 5 " --> pdb=" O VALFP 75 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N GLYFP 48 " --> pdb=" O ALAFP 4 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N GLYFP 33 " --> pdb=" O METFP 45 " (cutoff:3.500A) removed outlier: 6.650A pdb=" N LYSFP 47 " --> pdb=" O LEUFP 31 " (cutoff:3.500A) removed outlier: 5.699A pdb=" N LEUFP 31 " --> pdb=" O LYSFP 47 " (cutoff:3.500A) Processing sheet with id= EQ, first strand: chain 'FQ' and resid 70 through 76 removed outlier: 6.669A pdb=" N GLUFQ 9 " --> pdb=" O VALFQ 71 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N SERFQ 73 " --> pdb=" O LEUFQ 7 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LEUFQ 7 " --> pdb=" O SERFQ 73 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N VALFQ 75 " --> pdb=" O LEUFQ 5 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N LEUFQ 5 " --> pdb=" O VALFQ 75 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N GLYFQ 48 " --> pdb=" O ALAFQ 4 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N METFQ 45 " --> pdb=" O GLYFQ 33 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N GLYFQ 33 " --> pdb=" O METFQ 45 " (cutoff:3.500A) removed outlier: 6.718A pdb=" N LYSFQ 47 " --> pdb=" O LEUFQ 31 " (cutoff:3.500A) removed outlier: 5.543A pdb=" N LEUFQ 31 " --> pdb=" O LYSFQ 47 " (cutoff:3.500A) Processing sheet with id= ER, first strand: chain 'FR' and resid 70 through 76 removed outlier: 6.687A pdb=" N GLUFR 9 " --> pdb=" O VALFR 71 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N SERFR 73 " --> pdb=" O LEUFR 7 " (cutoff:3.500A) removed outlier: 6.678A pdb=" N LEUFR 7 " --> pdb=" O SERFR 73 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N VALFR 75 " --> pdb=" O LEUFR 5 " (cutoff:3.500A) removed outlier: 6.468A pdb=" N LEUFR 5 " --> pdb=" O VALFR 75 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N GLYFR 48 " --> pdb=" O ALAFR 4 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N GLYFR 33 " --> pdb=" O METFR 45 " (cutoff:3.500A) removed outlier: 6.625A pdb=" N LYSFR 47 " --> pdb=" O LEUFR 31 " (cutoff:3.500A) removed outlier: 5.464A pdb=" N LEUFR 31 " --> pdb=" O LYSFR 47 " (cutoff:3.500A) Processing sheet with id= ES, first strand: chain 'FS' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUFS 26 " --> pdb=" O THRFS 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISFS 9 " --> pdb=" O LEUFS 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUFS 24 " --> pdb=" O HISFS 9 " (cutoff:3.500A) Processing sheet with id= ET, first strand: chain 'FT' and resid 69 through 76 removed outlier: 4.777A pdb=" N LYSFT 69 " --> pdb=" O LYSFT 11 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N GLUFT 9 " --> pdb=" O VALFT 71 " (cutoff:3.500A) removed outlier: 4.322A pdb=" N SERFT 73 " --> pdb=" O LEUFT 7 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N LEUFT 7 " --> pdb=" O SERFT 73 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N VALFT 75 " --> pdb=" O LEUFT 5 " (cutoff:3.500A) removed outlier: 6.558A pdb=" N LEUFT 5 " --> pdb=" O VALFT 75 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N GLYFT 48 " --> pdb=" O ALAFT 4 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N GLYFT 33 " --> pdb=" O METFT 45 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N LYSFT 47 " --> pdb=" O LEUFT 31 " (cutoff:3.500A) removed outlier: 5.696A pdb=" N LEUFT 31 " --> pdb=" O LYSFT 47 " (cutoff:3.500A) Processing sheet with id= EU, first strand: chain 'FU' and resid 70 through 76 removed outlier: 6.671A pdb=" N GLUFU 9 " --> pdb=" O VALFU 71 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N SERFU 73 " --> pdb=" O LEUFU 7 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LEUFU 7 " --> pdb=" O SERFU 73 " (cutoff:3.500A) removed outlier: 4.492A pdb=" N VALFU 75 " --> pdb=" O LEUFU 5 " (cutoff:3.500A) removed outlier: 6.647A pdb=" N LEUFU 5 " --> pdb=" O VALFU 75 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N GLYFU 48 " --> pdb=" O ALAFU 4 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N METFU 45 " --> pdb=" O GLYFU 33 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLYFU 33 " --> pdb=" O METFU 45 " (cutoff:3.500A) removed outlier: 6.805A pdb=" N LYSFU 47 " --> pdb=" O LEUFU 31 " (cutoff:3.500A) removed outlier: 5.589A pdb=" N LEUFU 31 " --> pdb=" O LYSFU 47 " (cutoff:3.500A) Processing sheet with id= EV, first strand: chain 'FV' and resid 70 through 76 removed outlier: 6.650A pdb=" N GLUFV 9 " --> pdb=" O VALFV 71 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N SERFV 73 " --> pdb=" O LEUFV 7 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N LEUFV 7 " --> pdb=" O SERFV 73 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N VALFV 75 " --> pdb=" O LEUFV 5 " (cutoff:3.500A) removed outlier: 6.482A pdb=" N LEUFV 5 " --> pdb=" O VALFV 75 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N GLYFV 48 " --> pdb=" O ALAFV 4 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLYFV 33 " --> pdb=" O METFV 45 " (cutoff:3.500A) removed outlier: 6.624A pdb=" N LYSFV 47 " --> pdb=" O LEUFV 31 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N LEUFV 31 " --> pdb=" O LYSFV 47 " (cutoff:3.500A) Processing sheet with id= EW, first strand: chain 'FW' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUFW 26 " --> pdb=" O THRFW 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISFW 9 " --> pdb=" O LEUFW 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUFW 24 " --> pdb=" O HISFW 9 " (cutoff:3.500A) Processing sheet with id= EX, first strand: chain 'FX' and resid 69 through 76 removed outlier: 4.764A pdb=" N LYSFX 69 " --> pdb=" O LYSFX 11 " (cutoff:3.500A) removed outlier: 6.668A pdb=" N GLUFX 9 " --> pdb=" O VALFX 71 " (cutoff:3.500A) removed outlier: 4.289A pdb=" N SERFX 73 " --> pdb=" O LEUFX 7 " (cutoff:3.500A) removed outlier: 6.695A pdb=" N LEUFX 7 " --> pdb=" O SERFX 73 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N VALFX 75 " --> pdb=" O LEUFX 5 " (cutoff:3.500A) removed outlier: 6.565A pdb=" N LEUFX 5 " --> pdb=" O VALFX 75 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N GLYFX 48 " --> pdb=" O ALAFX 4 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLYFX 33 " --> pdb=" O METFX 45 " (cutoff:3.500A) removed outlier: 6.634A pdb=" N LYSFX 47 " --> pdb=" O LEUFX 31 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N LEUFX 31 " --> pdb=" O LYSFX 47 " (cutoff:3.500A) Processing sheet with id= EY, first strand: chain 'FY' and resid 70 through 76 removed outlier: 6.701A pdb=" N GLUFY 9 " --> pdb=" O VALFY 71 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N SERFY 73 " --> pdb=" O LEUFY 7 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N LEUFY 7 " --> pdb=" O SERFY 73 " (cutoff:3.500A) removed outlier: 4.503A pdb=" N VALFY 75 " --> pdb=" O LEUFY 5 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LEUFY 5 " --> pdb=" O VALFY 75 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N GLYFY 48 " --> pdb=" O ALAFY 4 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N METFY 45 " --> pdb=" O GLYFY 33 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLYFY 33 " --> pdb=" O METFY 45 " (cutoff:3.500A) removed outlier: 6.767A pdb=" N LYSFY 47 " --> pdb=" O LEUFY 31 " (cutoff:3.500A) removed outlier: 5.572A pdb=" N LEUFY 31 " --> pdb=" O LYSFY 47 " (cutoff:3.500A) Processing sheet with id= EZ, first strand: chain 'FZ' and resid 70 through 76 removed outlier: 6.682A pdb=" N GLUFZ 9 " --> pdb=" O VALFZ 71 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N SERFZ 73 " --> pdb=" O LEUFZ 7 " (cutoff:3.500A) removed outlier: 6.707A pdb=" N LEUFZ 7 " --> pdb=" O SERFZ 73 " (cutoff:3.500A) removed outlier: 4.361A pdb=" N VALFZ 75 " --> pdb=" O LEUFZ 5 " (cutoff:3.500A) removed outlier: 6.488A pdb=" N LEUFZ 5 " --> pdb=" O VALFZ 75 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N GLYFZ 48 " --> pdb=" O ALAFZ 4 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N GLYFZ 33 " --> pdb=" O METFZ 45 " (cutoff:3.500A) removed outlier: 6.665A pdb=" N LYSFZ 47 " --> pdb=" O LEUFZ 31 " (cutoff:3.500A) removed outlier: 5.433A pdb=" N LEUFZ 31 " --> pdb=" O LYSFZ 47 " (cutoff:3.500A) Processing sheet with id= FA, first strand: chain 'GA' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUGA 26 " --> pdb=" O THRGA 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISGA 9 " --> pdb=" O LEUGA 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUGA 24 " --> pdb=" O HISGA 9 " (cutoff:3.500A) Processing sheet with id= FB, first strand: chain 'GB' and resid 69 through 76 removed outlier: 4.756A pdb=" N LYSGB 69 " --> pdb=" O LYSGB 11 " (cutoff:3.500A) removed outlier: 6.674A pdb=" N GLUGB 9 " --> pdb=" O VALGB 71 " (cutoff:3.500A) removed outlier: 4.259A pdb=" N SERGB 73 " --> pdb=" O LEUGB 7 " (cutoff:3.500A) removed outlier: 6.719A pdb=" N LEUGB 7 " --> pdb=" O SERGB 73 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VALGB 75 " --> pdb=" O LEUGB 5 " (cutoff:3.500A) removed outlier: 6.570A pdb=" N LEUGB 5 " --> pdb=" O VALGB 75 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLYGB 48 " --> pdb=" O ALAGB 4 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLYGB 33 " --> pdb=" O METGB 45 " (cutoff:3.500A) removed outlier: 6.667A pdb=" N LYSGB 47 " --> pdb=" O LEUGB 31 " (cutoff:3.500A) removed outlier: 5.711A pdb=" N LEUGB 31 " --> pdb=" O LYSGB 47 " (cutoff:3.500A) Processing sheet with id= FC, first strand: chain 'GC' and resid 70 through 76 removed outlier: 6.668A pdb=" N GLUGC 9 " --> pdb=" O VALGC 71 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N SERGC 73 " --> pdb=" O LEUGC 7 " (cutoff:3.500A) removed outlier: 6.621A pdb=" N LEUGC 7 " --> pdb=" O SERGC 73 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VALGC 75 " --> pdb=" O LEUGC 5 " (cutoff:3.500A) removed outlier: 6.645A pdb=" N LEUGC 5 " --> pdb=" O VALGC 75 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N GLYGC 48 " --> pdb=" O ALAGC 4 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N METGC 45 " --> pdb=" O GLYGC 33 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N GLYGC 33 " --> pdb=" O METGC 45 " (cutoff:3.500A) removed outlier: 6.723A pdb=" N LYSGC 47 " --> pdb=" O LEUGC 31 " (cutoff:3.500A) removed outlier: 5.547A pdb=" N LEUGC 31 " --> pdb=" O LYSGC 47 " (cutoff:3.500A) Processing sheet with id= FD, first strand: chain 'GD' and resid 70 through 76 removed outlier: 6.682A pdb=" N GLUGD 9 " --> pdb=" O VALGD 71 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N SERGD 73 " --> pdb=" O LEUGD 7 " (cutoff:3.500A) removed outlier: 6.674A pdb=" N LEUGD 7 " --> pdb=" O SERGD 73 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N VALGD 75 " --> pdb=" O LEUGD 5 " (cutoff:3.500A) removed outlier: 6.475A pdb=" N LEUGD 5 " --> pdb=" O VALGD 75 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N GLYGD 48 " --> pdb=" O ALAGD 4 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N GLYGD 33 " --> pdb=" O METGD 45 " (cutoff:3.500A) removed outlier: 6.631A pdb=" N LYSGD 47 " --> pdb=" O LEUGD 31 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N LEUGD 31 " --> pdb=" O LYSGD 47 " (cutoff:3.500A) Processing sheet with id= FE, first strand: chain 'GE' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUGE 26 " --> pdb=" O THRGE 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISGE 9 " --> pdb=" O LEUGE 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUGE 24 " --> pdb=" O HISGE 9 " (cutoff:3.500A) Processing sheet with id= FF, first strand: chain 'GF' and resid 69 through 76 removed outlier: 4.757A pdb=" N LYSGF 69 " --> pdb=" O LYSGF 11 " (cutoff:3.500A) removed outlier: 6.676A pdb=" N GLUGF 9 " --> pdb=" O VALGF 71 " (cutoff:3.500A) removed outlier: 4.291A pdb=" N SERGF 73 " --> pdb=" O LEUGF 7 " (cutoff:3.500A) removed outlier: 6.732A pdb=" N LEUGF 7 " --> pdb=" O SERGF 73 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N VALGF 75 " --> pdb=" O LEUGF 5 " (cutoff:3.500A) removed outlier: 6.576A pdb=" N LEUGF 5 " --> pdb=" O VALGF 75 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N GLYGF 48 " --> pdb=" O ALAGF 4 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLYGF 33 " --> pdb=" O METGF 45 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N LYSGF 47 " --> pdb=" O LEUGF 31 " (cutoff:3.500A) removed outlier: 5.664A pdb=" N LEUGF 31 " --> pdb=" O LYSGF 47 " (cutoff:3.500A) Processing sheet with id= FG, first strand: chain 'GG' and resid 70 through 76 removed outlier: 6.674A pdb=" N GLUGG 9 " --> pdb=" O VALGG 71 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N SERGG 73 " --> pdb=" O LEUGG 7 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N LEUGG 7 " --> pdb=" O SERGG 73 " (cutoff:3.500A) removed outlier: 4.518A pdb=" N VALGG 75 " --> pdb=" O LEUGG 5 " (cutoff:3.500A) removed outlier: 6.656A pdb=" N LEUGG 5 " --> pdb=" O VALGG 75 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLYGG 48 " --> pdb=" O ALAGG 4 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N METGG 45 " --> pdb=" O GLYGG 33 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N GLYGG 33 " --> pdb=" O METGG 45 " (cutoff:3.500A) removed outlier: 6.769A pdb=" N LYSGG 47 " --> pdb=" O LEUGG 31 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N LEUGG 31 " --> pdb=" O LYSGG 47 " (cutoff:3.500A) Processing sheet with id= FH, first strand: chain 'GH' and resid 70 through 76 removed outlier: 6.669A pdb=" N GLUGH 9 " --> pdb=" O VALGH 71 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N SERGH 73 " --> pdb=" O LEUGH 7 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N LEUGH 7 " --> pdb=" O SERGH 73 " (cutoff:3.500A) removed outlier: 4.343A pdb=" N VALGH 75 " --> pdb=" O LEUGH 5 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N LEUGH 5 " --> pdb=" O VALGH 75 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLYGH 48 " --> pdb=" O ALAGH 4 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N GLYGH 33 " --> pdb=" O METGH 45 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N LYSGH 47 " --> pdb=" O LEUGH 31 " (cutoff:3.500A) removed outlier: 5.478A pdb=" N LEUGH 31 " --> pdb=" O LYSGH 47 " (cutoff:3.500A) Processing sheet with id= FI, first strand: chain 'GI' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUGI 26 " --> pdb=" O THRGI 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISGI 9 " --> pdb=" O LEUGI 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUGI 24 " --> pdb=" O HISGI 9 " (cutoff:3.500A) Processing sheet with id= FJ, first strand: chain 'GJ' and resid 69 through 76 removed outlier: 4.767A pdb=" N LYSGJ 69 " --> pdb=" O LYSGJ 11 " (cutoff:3.500A) removed outlier: 6.687A pdb=" N GLUGJ 9 " --> pdb=" O VALGJ 71 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N SERGJ 73 " --> pdb=" O LEUGJ 7 " (cutoff:3.500A) removed outlier: 6.724A pdb=" N LEUGJ 7 " --> pdb=" O SERGJ 73 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N VALGJ 75 " --> pdb=" O LEUGJ 5 " (cutoff:3.500A) removed outlier: 6.601A pdb=" N LEUGJ 5 " --> pdb=" O VALGJ 75 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N GLYGJ 48 " --> pdb=" O ALAGJ 4 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLYGJ 33 " --> pdb=" O METGJ 45 " (cutoff:3.500A) removed outlier: 6.679A pdb=" N LYSGJ 47 " --> pdb=" O LEUGJ 31 " (cutoff:3.500A) removed outlier: 5.689A pdb=" N LEUGJ 31 " --> pdb=" O LYSGJ 47 " (cutoff:3.500A) Processing sheet with id= FK, first strand: chain 'GK' and resid 70 through 76 removed outlier: 6.730A pdb=" N GLUGK 9 " --> pdb=" O VALGK 71 " (cutoff:3.500A) removed outlier: 4.378A pdb=" N SERGK 73 " --> pdb=" O LEUGK 7 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LEUGK 7 " --> pdb=" O SERGK 73 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N VALGK 75 " --> pdb=" O LEUGK 5 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N LEUGK 5 " --> pdb=" O VALGK 75 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N GLYGK 48 " --> pdb=" O ALAGK 4 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N METGK 45 " --> pdb=" O GLYGK 33 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLYGK 33 " --> pdb=" O METGK 45 " (cutoff:3.500A) removed outlier: 6.779A pdb=" N LYSGK 47 " --> pdb=" O LEUGK 31 " (cutoff:3.500A) removed outlier: 5.560A pdb=" N LEUGK 31 " --> pdb=" O LYSGK 47 " (cutoff:3.500A) Processing sheet with id= FL, first strand: chain 'GL' and resid 70 through 76 removed outlier: 6.678A pdb=" N GLUGL 9 " --> pdb=" O VALGL 71 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SERGL 73 " --> pdb=" O LEUGL 7 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N LEUGL 7 " --> pdb=" O SERGL 73 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N VALGL 75 " --> pdb=" O LEUGL 5 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N LEUGL 5 " --> pdb=" O VALGL 75 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N GLYGL 48 " --> pdb=" O ALAGL 4 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N GLYGL 33 " --> pdb=" O METGL 45 " (cutoff:3.500A) removed outlier: 6.616A pdb=" N LYSGL 47 " --> pdb=" O LEUGL 31 " (cutoff:3.500A) removed outlier: 5.468A pdb=" N LEUGL 31 " --> pdb=" O LYSGL 47 " (cutoff:3.500A) Processing sheet with id= FM, first strand: chain 'GM' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUGM 26 " --> pdb=" O THRGM 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISGM 9 " --> pdb=" O LEUGM 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUGM 24 " --> pdb=" O HISGM 9 " (cutoff:3.500A) Processing sheet with id= FN, first strand: chain 'GN' and resid 69 through 76 removed outlier: 4.756A pdb=" N LYSGN 69 " --> pdb=" O LYSGN 11 " (cutoff:3.500A) removed outlier: 6.666A pdb=" N GLUGN 9 " --> pdb=" O VALGN 71 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N SERGN 73 " --> pdb=" O LEUGN 7 " (cutoff:3.500A) removed outlier: 6.696A pdb=" N LEUGN 7 " --> pdb=" O SERGN 73 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N VALGN 75 " --> pdb=" O LEUGN 5 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEUGN 5 " --> pdb=" O VALGN 75 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N GLYGN 48 " --> pdb=" O ALAGN 4 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N GLYGN 33 " --> pdb=" O METGN 45 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N LYSGN 47 " --> pdb=" O LEUGN 31 " (cutoff:3.500A) removed outlier: 5.703A pdb=" N LEUGN 31 " --> pdb=" O LYSGN 47 " (cutoff:3.500A) Processing sheet with id= FO, first strand: chain 'GO' and resid 70 through 76 removed outlier: 6.704A pdb=" N GLUGO 9 " --> pdb=" O VALGO 71 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N SERGO 73 " --> pdb=" O LEUGO 7 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N LEUGO 7 " --> pdb=" O SERGO 73 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VALGO 75 " --> pdb=" O LEUGO 5 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N LEUGO 5 " --> pdb=" O VALGO 75 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N GLYGO 48 " --> pdb=" O ALAGO 4 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N METGO 45 " --> pdb=" O GLYGO 33 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N GLYGO 33 " --> pdb=" O METGO 45 " (cutoff:3.500A) removed outlier: 6.767A pdb=" N LYSGO 47 " --> pdb=" O LEUGO 31 " (cutoff:3.500A) removed outlier: 5.566A pdb=" N LEUGO 31 " --> pdb=" O LYSGO 47 " (cutoff:3.500A) Processing sheet with id= FP, first strand: chain 'GP' and resid 69 through 76 removed outlier: 4.877A pdb=" N LYSGP 69 " --> pdb=" O LYSGP 11 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N GLUGP 9 " --> pdb=" O VALGP 71 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N SERGP 73 " --> pdb=" O LEUGP 7 " (cutoff:3.500A) removed outlier: 6.710A pdb=" N LEUGP 7 " --> pdb=" O SERGP 73 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VALGP 75 " --> pdb=" O LEUGP 5 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N LEUGP 5 " --> pdb=" O VALGP 75 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N GLYGP 48 " --> pdb=" O ALAGP 4 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N GLYGP 33 " --> pdb=" O METGP 45 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N LYSGP 47 " --> pdb=" O LEUGP 31 " (cutoff:3.500A) removed outlier: 5.434A pdb=" N LEUGP 31 " --> pdb=" O LYSGP 47 " (cutoff:3.500A) Processing sheet with id= FQ, first strand: chain 'GQ' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUGQ 26 " --> pdb=" O THRGQ 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISGQ 9 " --> pdb=" O LEUGQ 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUGQ 24 " --> pdb=" O HISGQ 9 " (cutoff:3.500A) Processing sheet with id= FR, first strand: chain 'GR' and resid 69 through 76 removed outlier: 4.746A pdb=" N LYSGR 69 " --> pdb=" O LYSGR 11 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N GLUGR 9 " --> pdb=" O VALGR 71 " (cutoff:3.500A) removed outlier: 4.254A pdb=" N SERGR 73 " --> pdb=" O LEUGR 7 " (cutoff:3.500A) removed outlier: 6.715A pdb=" N LEUGR 7 " --> pdb=" O SERGR 73 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VALGR 75 " --> pdb=" O LEUGR 5 " (cutoff:3.500A) removed outlier: 6.571A pdb=" N LEUGR 5 " --> pdb=" O VALGR 75 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N GLYGR 48 " --> pdb=" O ALAGR 4 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLYGR 33 " --> pdb=" O METGR 45 " (cutoff:3.500A) removed outlier: 6.673A pdb=" N LYSGR 47 " --> pdb=" O LEUGR 31 " (cutoff:3.500A) removed outlier: 5.719A pdb=" N LEUGR 31 " --> pdb=" O LYSGR 47 " (cutoff:3.500A) Processing sheet with id= FS, first strand: chain 'GS' and resid 70 through 76 removed outlier: 6.686A pdb=" N GLUGS 9 " --> pdb=" O VALGS 71 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N SERGS 73 " --> pdb=" O LEUGS 7 " (cutoff:3.500A) removed outlier: 6.636A pdb=" N LEUGS 7 " --> pdb=" O SERGS 73 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VALGS 75 " --> pdb=" O LEUGS 5 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N LEUGS 5 " --> pdb=" O VALGS 75 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N GLYGS 48 " --> pdb=" O ALAGS 4 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N METGS 45 " --> pdb=" O GLYGS 33 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N GLYGS 33 " --> pdb=" O METGS 45 " (cutoff:3.500A) removed outlier: 6.718A pdb=" N LYSGS 47 " --> pdb=" O LEUGS 31 " (cutoff:3.500A) removed outlier: 5.569A pdb=" N LEUGS 31 " --> pdb=" O LYSGS 47 " (cutoff:3.500A) Processing sheet with id= FT, first strand: chain 'GT' and resid 70 through 76 removed outlier: 6.682A pdb=" N GLUGT 9 " --> pdb=" O VALGT 71 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N SERGT 73 " --> pdb=" O LEUGT 7 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N LEUGT 7 " --> pdb=" O SERGT 73 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N VALGT 75 " --> pdb=" O LEUGT 5 " (cutoff:3.500A) removed outlier: 6.470A pdb=" N LEUGT 5 " --> pdb=" O VALGT 75 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLYGT 48 " --> pdb=" O ALAGT 4 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N GLYGT 33 " --> pdb=" O METGT 45 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N LYSGT 47 " --> pdb=" O LEUGT 31 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N LEUGT 31 " --> pdb=" O LYSGT 47 " (cutoff:3.500A) Processing sheet with id= FU, first strand: chain 'GU' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUGU 26 " --> pdb=" O THRGU 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISGU 9 " --> pdb=" O LEUGU 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUGU 24 " --> pdb=" O HISGU 9 " (cutoff:3.500A) Processing sheet with id= FV, first strand: chain 'GV' and resid 69 through 76 removed outlier: 4.747A pdb=" N LYSGV 69 " --> pdb=" O LYSGV 11 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N GLUGV 9 " --> pdb=" O VALGV 71 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N SERGV 73 " --> pdb=" O LEUGV 7 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N LEUGV 7 " --> pdb=" O SERGV 73 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N VALGV 75 " --> pdb=" O LEUGV 5 " (cutoff:3.500A) removed outlier: 6.576A pdb=" N LEUGV 5 " --> pdb=" O VALGV 75 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N GLYGV 48 " --> pdb=" O ALAGV 4 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N GLYGV 33 " --> pdb=" O METGV 45 " (cutoff:3.500A) removed outlier: 6.671A pdb=" N LYSGV 47 " --> pdb=" O LEUGV 31 " (cutoff:3.500A) removed outlier: 5.669A pdb=" N LEUGV 31 " --> pdb=" O LYSGV 47 " (cutoff:3.500A) Processing sheet with id= FW, first strand: chain 'GW' and resid 70 through 76 removed outlier: 6.667A pdb=" N GLUGW 9 " --> pdb=" O VALGW 71 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N SERGW 73 " --> pdb=" O LEUGW 7 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEUGW 7 " --> pdb=" O SERGW 73 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VALGW 75 " --> pdb=" O LEUGW 5 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N LEUGW 5 " --> pdb=" O VALGW 75 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLYGW 48 " --> pdb=" O ALAGW 4 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N METGW 45 " --> pdb=" O GLYGW 33 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLYGW 33 " --> pdb=" O METGW 45 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N LYSGW 47 " --> pdb=" O LEUGW 31 " (cutoff:3.500A) removed outlier: 5.557A pdb=" N LEUGW 31 " --> pdb=" O LYSGW 47 " (cutoff:3.500A) Processing sheet with id= FX, first strand: chain 'GX' and resid 70 through 76 removed outlier: 6.660A pdb=" N GLUGX 9 " --> pdb=" O VALGX 71 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N SERGX 73 " --> pdb=" O LEUGX 7 " (cutoff:3.500A) removed outlier: 6.666A pdb=" N LEUGX 7 " --> pdb=" O SERGX 73 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N VALGX 75 " --> pdb=" O LEUGX 5 " (cutoff:3.500A) removed outlier: 6.489A pdb=" N LEUGX 5 " --> pdb=" O VALGX 75 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N GLYGX 48 " --> pdb=" O ALAGX 4 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N GLYGX 33 " --> pdb=" O METGX 45 " (cutoff:3.500A) removed outlier: 6.637A pdb=" N LYSGX 47 " --> pdb=" O LEUGX 31 " (cutoff:3.500A) removed outlier: 5.469A pdb=" N LEUGX 31 " --> pdb=" O LYSGX 47 " (cutoff:3.500A) Processing sheet with id= FY, first strand: chain 'GY' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUGY 26 " --> pdb=" O THRGY 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISGY 9 " --> pdb=" O LEUGY 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUGY 24 " --> pdb=" O HISGY 9 " (cutoff:3.500A) Processing sheet with id= FZ, first strand: chain 'GZ' and resid 69 through 76 removed outlier: 4.774A pdb=" N LYSGZ 69 " --> pdb=" O LYSGZ 11 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N GLUGZ 9 " --> pdb=" O VALGZ 71 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N SERGZ 73 " --> pdb=" O LEUGZ 7 " (cutoff:3.500A) removed outlier: 6.690A pdb=" N LEUGZ 7 " --> pdb=" O SERGZ 73 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N VALGZ 75 " --> pdb=" O LEUGZ 5 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N LEUGZ 5 " --> pdb=" O VALGZ 75 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLYGZ 48 " --> pdb=" O ALAGZ 4 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLYGZ 33 " --> pdb=" O METGZ 45 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N LYSGZ 47 " --> pdb=" O LEUGZ 31 " (cutoff:3.500A) removed outlier: 5.702A pdb=" N LEUGZ 31 " --> pdb=" O LYSGZ 47 " (cutoff:3.500A) Processing sheet with id= GA, first strand: chain 'HA' and resid 70 through 76 removed outlier: 6.708A pdb=" N GLUHA 9 " --> pdb=" O VALHA 71 " (cutoff:3.500A) removed outlier: 4.365A pdb=" N SERHA 73 " --> pdb=" O LEUHA 7 " (cutoff:3.500A) removed outlier: 6.634A pdb=" N LEUHA 7 " --> pdb=" O SERHA 73 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N VALHA 75 " --> pdb=" O LEUHA 5 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LEUHA 5 " --> pdb=" O VALHA 75 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N GLYHA 48 " --> pdb=" O ALAHA 4 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N METHA 45 " --> pdb=" O GLYHA 33 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLYHA 33 " --> pdb=" O METHA 45 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N LYSHA 47 " --> pdb=" O LEUHA 31 " (cutoff:3.500A) removed outlier: 5.589A pdb=" N LEUHA 31 " --> pdb=" O LYSHA 47 " (cutoff:3.500A) Processing sheet with id= GB, first strand: chain 'HB' and resid 70 through 76 removed outlier: 6.685A pdb=" N GLUHB 9 " --> pdb=" O VALHB 71 " (cutoff:3.500A) removed outlier: 4.364A pdb=" N SERHB 73 " --> pdb=" O LEUHB 7 " (cutoff:3.500A) removed outlier: 6.707A pdb=" N LEUHB 7 " --> pdb=" O SERHB 73 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N VALHB 75 " --> pdb=" O LEUHB 5 " (cutoff:3.500A) removed outlier: 6.485A pdb=" N LEUHB 5 " --> pdb=" O VALHB 75 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N GLYHB 48 " --> pdb=" O ALAHB 4 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N GLYHB 33 " --> pdb=" O METHB 45 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N LYSHB 47 " --> pdb=" O LEUHB 31 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N LEUHB 31 " --> pdb=" O LYSHB 47 " (cutoff:3.500A) Processing sheet with id= GC, first strand: chain 'HC' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUHC 26 " --> pdb=" O THRHC 7 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N HISHC 9 " --> pdb=" O LEUHC 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUHC 24 " --> pdb=" O HISHC 9 " (cutoff:3.500A) Processing sheet with id= GD, first strand: chain 'HD' and resid 69 through 76 removed outlier: 4.780A pdb=" N LYSHD 69 " --> pdb=" O LYSHD 11 " (cutoff:3.500A) removed outlier: 6.694A pdb=" N GLUHD 9 " --> pdb=" O VALHD 71 " (cutoff:3.500A) removed outlier: 4.299A pdb=" N SERHD 73 " --> pdb=" O LEUHD 7 " (cutoff:3.500A) removed outlier: 6.714A pdb=" N LEUHD 7 " --> pdb=" O SERHD 73 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N VALHD 75 " --> pdb=" O LEUHD 5 " (cutoff:3.500A) removed outlier: 6.595A pdb=" N LEUHD 5 " --> pdb=" O VALHD 75 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLYHD 48 " --> pdb=" O ALAHD 4 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N GLYHD 33 " --> pdb=" O METHD 45 " (cutoff:3.500A) removed outlier: 6.680A pdb=" N LYSHD 47 " --> pdb=" O LEUHD 31 " (cutoff:3.500A) removed outlier: 5.688A pdb=" N LEUHD 31 " --> pdb=" O LYSHD 47 " (cutoff:3.500A) Processing sheet with id= GE, first strand: chain 'HE' and resid 70 through 76 removed outlier: 6.724A pdb=" N GLUHE 9 " --> pdb=" O VALHE 71 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N SERHE 73 " --> pdb=" O LEUHE 7 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LEUHE 7 " --> pdb=" O SERHE 73 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VALHE 75 " --> pdb=" O LEUHE 5 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N LEUHE 5 " --> pdb=" O VALHE 75 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N GLYHE 48 " --> pdb=" O ALAHE 4 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N METHE 45 " --> pdb=" O GLYHE 33 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLYHE 33 " --> pdb=" O METHE 45 " (cutoff:3.500A) removed outlier: 6.781A pdb=" N LYSHE 47 " --> pdb=" O LEUHE 31 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N LEUHE 31 " --> pdb=" O LYSHE 47 " (cutoff:3.500A) Processing sheet with id= GF, first strand: chain 'HF' and resid 70 through 76 removed outlier: 6.694A pdb=" N GLUHF 9 " --> pdb=" O VALHF 71 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N SERHF 73 " --> pdb=" O LEUHF 7 " (cutoff:3.500A) removed outlier: 6.674A pdb=" N LEUHF 7 " --> pdb=" O SERHF 73 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N VALHF 75 " --> pdb=" O LEUHF 5 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N LEUHF 5 " --> pdb=" O VALHF 75 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N GLYHF 48 " --> pdb=" O ALAHF 4 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N GLYHF 33 " --> pdb=" O METHF 45 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N LYSHF 47 " --> pdb=" O LEUHF 31 " (cutoff:3.500A) removed outlier: 5.483A pdb=" N LEUHF 31 " --> pdb=" O LYSHF 47 " (cutoff:3.500A) Processing sheet with id= GG, first strand: chain 'HG' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUHG 26 " --> pdb=" O THRHG 7 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N HISHG 9 " --> pdb=" O LEUHG 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUHG 24 " --> pdb=" O HISHG 9 " (cutoff:3.500A) Processing sheet with id= GH, first strand: chain 'HH' and resid 69 through 76 removed outlier: 4.778A pdb=" N LYSHH 69 " --> pdb=" O LYSHH 11 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N GLUHH 9 " --> pdb=" O VALHH 71 " (cutoff:3.500A) removed outlier: 4.329A pdb=" N SERHH 73 " --> pdb=" O LEUHH 7 " (cutoff:3.500A) removed outlier: 6.733A pdb=" N LEUHH 7 " --> pdb=" O SERHH 73 " (cutoff:3.500A) removed outlier: 4.400A pdb=" N VALHH 75 " --> pdb=" O LEUHH 5 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N LEUHH 5 " --> pdb=" O VALHH 75 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N GLYHH 48 " --> pdb=" O ALAHH 4 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLYHH 33 " --> pdb=" O METHH 45 " (cutoff:3.500A) removed outlier: 6.653A pdb=" N LYSHH 47 " --> pdb=" O LEUHH 31 " (cutoff:3.500A) removed outlier: 5.696A pdb=" N LEUHH 31 " --> pdb=" O LYSHH 47 " (cutoff:3.500A) Processing sheet with id= GI, first strand: chain 'HI' and resid 70 through 76 removed outlier: 6.673A pdb=" N GLUHI 9 " --> pdb=" O VALHI 71 " (cutoff:3.500A) removed outlier: 4.366A pdb=" N SERHI 73 " --> pdb=" O LEUHI 7 " (cutoff:3.500A) removed outlier: 6.637A pdb=" N LEUHI 7 " --> pdb=" O SERHI 73 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N VALHI 75 " --> pdb=" O LEUHI 5 " (cutoff:3.500A) removed outlier: 6.650A pdb=" N LEUHI 5 " --> pdb=" O VALHI 75 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N GLYHI 48 " --> pdb=" O ALAHI 4 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N METHI 45 " --> pdb=" O GLYHI 33 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N GLYHI 33 " --> pdb=" O METHI 45 " (cutoff:3.500A) removed outlier: 6.785A pdb=" N LYSHI 47 " --> pdb=" O LEUHI 31 " (cutoff:3.500A) removed outlier: 5.581A pdb=" N LEUHI 31 " --> pdb=" O LYSHI 47 " (cutoff:3.500A) Processing sheet with id= GJ, first strand: chain 'HJ' and resid 70 through 76 removed outlier: 6.678A pdb=" N GLUHJ 9 " --> pdb=" O VALHJ 71 " (cutoff:3.500A) removed outlier: 4.402A pdb=" N SERHJ 73 " --> pdb=" O LEUHJ 7 " (cutoff:3.500A) removed outlier: 6.689A pdb=" N LEUHJ 7 " --> pdb=" O SERHJ 73 " (cutoff:3.500A) removed outlier: 4.362A pdb=" N VALHJ 75 " --> pdb=" O LEUHJ 5 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N LEUHJ 5 " --> pdb=" O VALHJ 75 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N GLYHJ 48 " --> pdb=" O ALAHJ 4 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLYHJ 33 " --> pdb=" O METHJ 45 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N LYSHJ 47 " --> pdb=" O LEUHJ 31 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N LEUHJ 31 " --> pdb=" O LYSHJ 47 " (cutoff:3.500A) Processing sheet with id= GK, first strand: chain 'HK' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUHK 26 " --> pdb=" O THRHK 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISHK 9 " --> pdb=" O LEUHK 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUHK 24 " --> pdb=" O HISHK 9 " (cutoff:3.500A) Processing sheet with id= GL, first strand: chain 'HL' and resid 69 through 76 removed outlier: 4.760A pdb=" N LYSHL 69 " --> pdb=" O LYSHL 11 " (cutoff:3.500A) removed outlier: 6.662A pdb=" N GLUHL 9 " --> pdb=" O VALHL 71 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N SERHL 73 " --> pdb=" O LEUHL 7 " (cutoff:3.500A) removed outlier: 6.716A pdb=" N LEUHL 7 " --> pdb=" O SERHL 73 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N VALHL 75 " --> pdb=" O LEUHL 5 " (cutoff:3.500A) removed outlier: 6.571A pdb=" N LEUHL 5 " --> pdb=" O VALHL 75 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLYHL 48 " --> pdb=" O ALAHL 4 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N GLYHL 33 " --> pdb=" O METHL 45 " (cutoff:3.500A) removed outlier: 6.669A pdb=" N LYSHL 47 " --> pdb=" O LEUHL 31 " (cutoff:3.500A) removed outlier: 5.669A pdb=" N LEUHL 31 " --> pdb=" O LYSHL 47 " (cutoff:3.500A) Processing sheet with id= GM, first strand: chain 'HM' and resid 70 through 76 removed outlier: 6.675A pdb=" N GLUHM 9 " --> pdb=" O VALHM 71 " (cutoff:3.500A) removed outlier: 4.392A pdb=" N SERHM 73 " --> pdb=" O LEUHM 7 " (cutoff:3.500A) removed outlier: 6.645A pdb=" N LEUHM 7 " --> pdb=" O SERHM 73 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N VALHM 75 " --> pdb=" O LEUHM 5 " (cutoff:3.500A) removed outlier: 6.613A pdb=" N LEUHM 5 " --> pdb=" O VALHM 75 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N GLYHM 48 " --> pdb=" O ALAHM 4 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N METHM 45 " --> pdb=" O GLYHM 33 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLYHM 33 " --> pdb=" O METHM 45 " (cutoff:3.500A) removed outlier: 6.746A pdb=" N LYSHM 47 " --> pdb=" O LEUHM 31 " (cutoff:3.500A) removed outlier: 5.531A pdb=" N LEUHM 31 " --> pdb=" O LYSHM 47 " (cutoff:3.500A) Processing sheet with id= GN, first strand: chain 'HN' and resid 70 through 76 removed outlier: 6.634A pdb=" N GLUHN 9 " --> pdb=" O VALHN 71 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N SERHN 73 " --> pdb=" O LEUHN 7 " (cutoff:3.500A) removed outlier: 6.662A pdb=" N LEUHN 7 " --> pdb=" O SERHN 73 " (cutoff:3.500A) removed outlier: 4.348A pdb=" N VALHN 75 " --> pdb=" O LEUHN 5 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N LEUHN 5 " --> pdb=" O VALHN 75 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N GLYHN 48 " --> pdb=" O ALAHN 4 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N GLYHN 33 " --> pdb=" O METHN 45 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LYSHN 47 " --> pdb=" O LEUHN 31 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N LEUHN 31 " --> pdb=" O LYSHN 47 " (cutoff:3.500A) Processing sheet with id= GO, first strand: chain 'HO' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUHO 26 " --> pdb=" O THRHO 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISHO 9 " --> pdb=" O LEUHO 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUHO 24 " --> pdb=" O HISHO 9 " (cutoff:3.500A) Processing sheet with id= GP, first strand: chain 'HP' and resid 69 through 76 removed outlier: 4.758A pdb=" N LYSHP 69 " --> pdb=" O LYSHP 11 " (cutoff:3.500A) removed outlier: 6.689A pdb=" N GLUHP 9 " --> pdb=" O VALHP 71 " (cutoff:3.500A) removed outlier: 4.271A pdb=" N SERHP 73 " --> pdb=" O LEUHP 7 " (cutoff:3.500A) removed outlier: 6.697A pdb=" N LEUHP 7 " --> pdb=" O SERHP 73 " (cutoff:3.500A) removed outlier: 4.381A pdb=" N VALHP 75 " --> pdb=" O LEUHP 5 " (cutoff:3.500A) removed outlier: 6.559A pdb=" N LEUHP 5 " --> pdb=" O VALHP 75 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N GLYHP 48 " --> pdb=" O ALAHP 4 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N GLYHP 33 " --> pdb=" O METHP 45 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N LYSHP 47 " --> pdb=" O LEUHP 31 " (cutoff:3.500A) removed outlier: 5.691A pdb=" N LEUHP 31 " --> pdb=" O LYSHP 47 " (cutoff:3.500A) Processing sheet with id= GQ, first strand: chain 'HQ' and resid 70 through 76 removed outlier: 6.729A pdb=" N GLUHQ 9 " --> pdb=" O VALHQ 71 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N SERHQ 73 " --> pdb=" O LEUHQ 7 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N LEUHQ 7 " --> pdb=" O SERHQ 73 " (cutoff:3.500A) removed outlier: 4.502A pdb=" N VALHQ 75 " --> pdb=" O LEUHQ 5 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LEUHQ 5 " --> pdb=" O VALHQ 75 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N GLYHQ 48 " --> pdb=" O ALAHQ 4 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N METHQ 45 " --> pdb=" O GLYHQ 33 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLYHQ 33 " --> pdb=" O METHQ 45 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N LYSHQ 47 " --> pdb=" O LEUHQ 31 " (cutoff:3.500A) removed outlier: 5.584A pdb=" N LEUHQ 31 " --> pdb=" O LYSHQ 47 " (cutoff:3.500A) Processing sheet with id= GR, first strand: chain 'HR' and resid 70 through 76 removed outlier: 6.684A pdb=" N GLUHR 9 " --> pdb=" O VALHR 71 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N SERHR 73 " --> pdb=" O LEUHR 7 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N LEUHR 7 " --> pdb=" O SERHR 73 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N VALHR 75 " --> pdb=" O LEUHR 5 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N LEUHR 5 " --> pdb=" O VALHR 75 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N GLYHR 48 " --> pdb=" O ALAHR 4 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N GLYHR 33 " --> pdb=" O METHR 45 " (cutoff:3.500A) removed outlier: 6.656A pdb=" N LYSHR 47 " --> pdb=" O LEUHR 31 " (cutoff:3.500A) removed outlier: 5.445A pdb=" N LEUHR 31 " --> pdb=" O LYSHR 47 " (cutoff:3.500A) Processing sheet with id= GS, first strand: chain 'HS' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUHS 26 " --> pdb=" O THRHS 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISHS 9 " --> pdb=" O LEUHS 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUHS 24 " --> pdb=" O HISHS 9 " (cutoff:3.500A) Processing sheet with id= GT, first strand: chain 'HT' and resid 69 through 76 removed outlier: 4.779A pdb=" N LYSHT 69 " --> pdb=" O LYSHT 11 " (cutoff:3.500A) removed outlier: 6.666A pdb=" N GLUHT 9 " --> pdb=" O VALHT 71 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N SERHT 73 " --> pdb=" O LEUHT 7 " (cutoff:3.500A) removed outlier: 6.699A pdb=" N LEUHT 7 " --> pdb=" O SERHT 73 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N VALHT 75 " --> pdb=" O LEUHT 5 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N LEUHT 5 " --> pdb=" O VALHT 75 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLYHT 48 " --> pdb=" O ALAHT 4 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLYHT 33 " --> pdb=" O METHT 45 " (cutoff:3.500A) removed outlier: 6.680A pdb=" N LYSHT 47 " --> pdb=" O LEUHT 31 " (cutoff:3.500A) removed outlier: 5.672A pdb=" N LEUHT 31 " --> pdb=" O LYSHT 47 " (cutoff:3.500A) Processing sheet with id= GU, first strand: chain 'HU' and resid 70 through 76 removed outlier: 6.715A pdb=" N GLUHU 9 " --> pdb=" O VALHU 71 " (cutoff:3.500A) removed outlier: 4.362A pdb=" N SERHU 73 " --> pdb=" O LEUHU 7 " (cutoff:3.500A) removed outlier: 6.637A pdb=" N LEUHU 7 " --> pdb=" O SERHU 73 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N VALHU 75 " --> pdb=" O LEUHU 5 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N LEUHU 5 " --> pdb=" O VALHU 75 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLYHU 48 " --> pdb=" O ALAHU 4 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N METHU 45 " --> pdb=" O GLYHU 33 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLYHU 33 " --> pdb=" O METHU 45 " (cutoff:3.500A) removed outlier: 6.789A pdb=" N LYSHU 47 " --> pdb=" O LEUHU 31 " (cutoff:3.500A) removed outlier: 5.581A pdb=" N LEUHU 31 " --> pdb=" O LYSHU 47 " (cutoff:3.500A) Processing sheet with id= GV, first strand: chain 'HV' and resid 70 through 76 removed outlier: 6.641A pdb=" N GLUHV 9 " --> pdb=" O VALHV 71 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N SERHV 73 " --> pdb=" O LEUHV 7 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N LEUHV 7 " --> pdb=" O SERHV 73 " (cutoff:3.500A) removed outlier: 4.349A pdb=" N VALHV 75 " --> pdb=" O LEUHV 5 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N LEUHV 5 " --> pdb=" O VALHV 75 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N GLYHV 48 " --> pdb=" O ALAHV 4 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N GLYHV 33 " --> pdb=" O METHV 45 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LYSHV 47 " --> pdb=" O LEUHV 31 " (cutoff:3.500A) removed outlier: 5.459A pdb=" N LEUHV 31 " --> pdb=" O LYSHV 47 " (cutoff:3.500A) Processing sheet with id= GW, first strand: chain 'HW' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUHW 26 " --> pdb=" O THRHW 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISHW 9 " --> pdb=" O LEUHW 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUHW 24 " --> pdb=" O HISHW 9 " (cutoff:3.500A) Processing sheet with id= GX, first strand: chain 'HX' and resid 69 through 76 removed outlier: 4.746A pdb=" N LYSHX 69 " --> pdb=" O LYSHX 11 " (cutoff:3.500A) removed outlier: 6.665A pdb=" N GLUHX 9 " --> pdb=" O VALHX 71 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N SERHX 73 " --> pdb=" O LEUHX 7 " (cutoff:3.500A) removed outlier: 6.729A pdb=" N LEUHX 7 " --> pdb=" O SERHX 73 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N VALHX 75 " --> pdb=" O LEUHX 5 " (cutoff:3.500A) removed outlier: 6.574A pdb=" N LEUHX 5 " --> pdb=" O VALHX 75 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N GLYHX 48 " --> pdb=" O ALAHX 4 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N GLYHX 33 " --> pdb=" O METHX 45 " (cutoff:3.500A) removed outlier: 6.670A pdb=" N LYSHX 47 " --> pdb=" O LEUHX 31 " (cutoff:3.500A) removed outlier: 5.675A pdb=" N LEUHX 31 " --> pdb=" O LYSHX 47 " (cutoff:3.500A) Processing sheet with id= GY, first strand: chain 'HY' and resid 70 through 76 removed outlier: 6.679A pdb=" N GLUHY 9 " --> pdb=" O VALHY 71 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N SERHY 73 " --> pdb=" O LEUHY 7 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N LEUHY 7 " --> pdb=" O SERHY 73 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VALHY 75 " --> pdb=" O LEUHY 5 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LEUHY 5 " --> pdb=" O VALHY 75 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLYHY 48 " --> pdb=" O ALAHY 4 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N METHY 45 " --> pdb=" O GLYHY 33 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N GLYHY 33 " --> pdb=" O METHY 45 " (cutoff:3.500A) removed outlier: 6.750A pdb=" N LYSHY 47 " --> pdb=" O LEUHY 31 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N LEUHY 31 " --> pdb=" O LYSHY 47 " (cutoff:3.500A) Processing sheet with id= GZ, first strand: chain 'HZ' and resid 70 through 76 removed outlier: 6.657A pdb=" N GLUHZ 9 " --> pdb=" O VALHZ 71 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N SERHZ 73 " --> pdb=" O LEUHZ 7 " (cutoff:3.500A) removed outlier: 6.673A pdb=" N LEUHZ 7 " --> pdb=" O SERHZ 73 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N VALHZ 75 " --> pdb=" O LEUHZ 5 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N LEUHZ 5 " --> pdb=" O VALHZ 75 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLYHZ 48 " --> pdb=" O ALAHZ 4 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N GLYHZ 33 " --> pdb=" O METHZ 45 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N LYSHZ 47 " --> pdb=" O LEUHZ 31 " (cutoff:3.500A) removed outlier: 5.476A pdb=" N LEUHZ 31 " --> pdb=" O LYSHZ 47 " (cutoff:3.500A) Processing sheet with id= HA, first strand: chain 'IA' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUIA 26 " --> pdb=" O THRIA 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISIA 9 " --> pdb=" O LEUIA 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUIA 24 " --> pdb=" O HISIA 9 " (cutoff:3.500A) Processing sheet with id= HB, first strand: chain 'IB' and resid 69 through 76 removed outlier: 4.774A pdb=" N LYSIB 69 " --> pdb=" O LYSIB 11 " (cutoff:3.500A) removed outlier: 6.670A pdb=" N GLUIB 9 " --> pdb=" O VALIB 71 " (cutoff:3.500A) removed outlier: 4.324A pdb=" N SERIB 73 " --> pdb=" O LEUIB 7 " (cutoff:3.500A) removed outlier: 6.730A pdb=" N LEUIB 7 " --> pdb=" O SERIB 73 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N VALIB 75 " --> pdb=" O LEUIB 5 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N LEUIB 5 " --> pdb=" O VALIB 75 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLYIB 48 " --> pdb=" O ALAIB 4 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N GLYIB 33 " --> pdb=" O METIB 45 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N LYSIB 47 " --> pdb=" O LEUIB 31 " (cutoff:3.500A) removed outlier: 5.697A pdb=" N LEUIB 31 " --> pdb=" O LYSIB 47 " (cutoff:3.500A) Processing sheet with id= HC, first strand: chain 'IC' and resid 70 through 76 removed outlier: 6.672A pdb=" N GLUIC 9 " --> pdb=" O VALIC 71 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N SERIC 73 " --> pdb=" O LEUIC 7 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N LEUIC 7 " --> pdb=" O SERIC 73 " (cutoff:3.500A) removed outlier: 4.492A pdb=" N VALIC 75 " --> pdb=" O LEUIC 5 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N LEUIC 5 " --> pdb=" O VALIC 75 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N GLYIC 48 " --> pdb=" O ALAIC 4 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N METIC 45 " --> pdb=" O GLYIC 33 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N GLYIC 33 " --> pdb=" O METIC 45 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N LYSIC 47 " --> pdb=" O LEUIC 31 " (cutoff:3.500A) removed outlier: 5.571A pdb=" N LEUIC 31 " --> pdb=" O LYSIC 47 " (cutoff:3.500A) Processing sheet with id= HD, first strand: chain 'ID' and resid 70 through 76 removed outlier: 6.687A pdb=" N GLUID 9 " --> pdb=" O VALID 71 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N SERID 73 " --> pdb=" O LEUID 7 " (cutoff:3.500A) removed outlier: 6.687A pdb=" N LEUID 7 " --> pdb=" O SERID 73 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N VALID 75 " --> pdb=" O LEUID 5 " (cutoff:3.500A) removed outlier: 6.482A pdb=" N LEUID 5 " --> pdb=" O VALID 75 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N GLYID 48 " --> pdb=" O ALAID 4 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLYID 33 " --> pdb=" O METID 45 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N LYSID 47 " --> pdb=" O LEUID 31 " (cutoff:3.500A) removed outlier: 5.463A pdb=" N LEUID 31 " --> pdb=" O LYSID 47 " (cutoff:3.500A) Processing sheet with id= HE, first strand: chain 'IE' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUIE 26 " --> pdb=" O THRIE 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISIE 9 " --> pdb=" O LEUIE 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUIE 24 " --> pdb=" O HISIE 9 " (cutoff:3.500A) Processing sheet with id= HF, first strand: chain 'IF' and resid 69 through 76 removed outlier: 4.738A pdb=" N LYSIF 69 " --> pdb=" O LYSIF 11 " (cutoff:3.500A) removed outlier: 6.719A pdb=" N GLUIF 9 " --> pdb=" O VALIF 71 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N SERIF 73 " --> pdb=" O LEUIF 7 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N LEUIF 7 " --> pdb=" O SERIF 73 " (cutoff:3.500A) removed outlier: 4.378A pdb=" N VALIF 75 " --> pdb=" O LEUIF 5 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEUIF 5 " --> pdb=" O VALIF 75 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N GLYIF 48 " --> pdb=" O ALAIF 4 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N GLYIF 33 " --> pdb=" O METIF 45 " (cutoff:3.500A) removed outlier: 6.650A pdb=" N LYSIF 47 " --> pdb=" O LEUIF 31 " (cutoff:3.500A) removed outlier: 5.695A pdb=" N LEUIF 31 " --> pdb=" O LYSIF 47 " (cutoff:3.500A) Processing sheet with id= HG, first strand: chain 'IG' and resid 70 through 76 removed outlier: 6.697A pdb=" N GLUIG 9 " --> pdb=" O VALIG 71 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N SERIG 73 " --> pdb=" O LEUIG 7 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LEUIG 7 " --> pdb=" O SERIG 73 " (cutoff:3.500A) removed outlier: 4.494A pdb=" N VALIG 75 " --> pdb=" O LEUIG 5 " (cutoff:3.500A) removed outlier: 6.644A pdb=" N LEUIG 5 " --> pdb=" O VALIG 75 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N GLYIG 48 " --> pdb=" O ALAIG 4 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N METIG 45 " --> pdb=" O GLYIG 33 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLYIG 33 " --> pdb=" O METIG 45 " (cutoff:3.500A) removed outlier: 6.714A pdb=" N LYSIG 47 " --> pdb=" O LEUIG 31 " (cutoff:3.500A) removed outlier: 5.551A pdb=" N LEUIG 31 " --> pdb=" O LYSIG 47 " (cutoff:3.500A) Processing sheet with id= HH, first strand: chain 'IH' and resid 69 through 76 removed outlier: 4.871A pdb=" N LYSIH 69 " --> pdb=" O LYSIH 11 " (cutoff:3.500A) removed outlier: 6.701A pdb=" N GLUIH 9 " --> pdb=" O VALIH 71 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N SERIH 73 " --> pdb=" O LEUIH 7 " (cutoff:3.500A) removed outlier: 6.676A pdb=" N LEUIH 7 " --> pdb=" O SERIH 73 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VALIH 75 " --> pdb=" O LEUIH 5 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N LEUIH 5 " --> pdb=" O VALIH 75 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N GLYIH 48 " --> pdb=" O ALAIH 4 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N GLYIH 33 " --> pdb=" O METIH 45 " (cutoff:3.500A) removed outlier: 6.624A pdb=" N LYSIH 47 " --> pdb=" O LEUIH 31 " (cutoff:3.500A) removed outlier: 5.458A pdb=" N LEUIH 31 " --> pdb=" O LYSIH 47 " (cutoff:3.500A) Processing sheet with id= HI, first strand: chain 'II' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUII 26 " --> pdb=" O THRII 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISII 9 " --> pdb=" O LEUII 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUII 24 " --> pdb=" O HISII 9 " (cutoff:3.500A) Processing sheet with id= HJ, first strand: chain 'IJ' and resid 69 through 76 removed outlier: 4.794A pdb=" N LYSIJ 69 " --> pdb=" O LYSIJ 11 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N GLUIJ 9 " --> pdb=" O VALIJ 71 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N SERIJ 73 " --> pdb=" O LEUIJ 7 " (cutoff:3.500A) removed outlier: 6.710A pdb=" N LEUIJ 7 " --> pdb=" O SERIJ 73 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N VALIJ 75 " --> pdb=" O LEUIJ 5 " (cutoff:3.500A) removed outlier: 6.601A pdb=" N LEUIJ 5 " --> pdb=" O VALIJ 75 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLYIJ 48 " --> pdb=" O ALAIJ 4 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N GLYIJ 33 " --> pdb=" O METIJ 45 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N LYSIJ 47 " --> pdb=" O LEUIJ 31 " (cutoff:3.500A) removed outlier: 5.685A pdb=" N LEUIJ 31 " --> pdb=" O LYSIJ 47 " (cutoff:3.500A) Processing sheet with id= HK, first strand: chain 'IK' and resid 70 through 76 removed outlier: 6.742A pdb=" N GLUIK 9 " --> pdb=" O VALIK 71 " (cutoff:3.500A) removed outlier: 4.384A pdb=" N SERIK 73 " --> pdb=" O LEUIK 7 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LEUIK 7 " --> pdb=" O SERIK 73 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VALIK 75 " --> pdb=" O LEUIK 5 " (cutoff:3.500A) removed outlier: 6.662A pdb=" N LEUIK 5 " --> pdb=" O VALIK 75 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLYIK 48 " --> pdb=" O ALAIK 4 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N METIK 45 " --> pdb=" O GLYIK 33 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLYIK 33 " --> pdb=" O METIK 45 " (cutoff:3.500A) removed outlier: 6.775A pdb=" N LYSIK 47 " --> pdb=" O LEUIK 31 " (cutoff:3.500A) removed outlier: 5.592A pdb=" N LEUIK 31 " --> pdb=" O LYSIK 47 " (cutoff:3.500A) Processing sheet with id= HL, first strand: chain 'IL' and resid 70 through 76 removed outlier: 6.685A pdb=" N GLUIL 9 " --> pdb=" O VALIL 71 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N SERIL 73 " --> pdb=" O LEUIL 7 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N LEUIL 7 " --> pdb=" O SERIL 73 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N VALIL 75 " --> pdb=" O LEUIL 5 " (cutoff:3.500A) removed outlier: 6.500A pdb=" N LEUIL 5 " --> pdb=" O VALIL 75 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N GLYIL 48 " --> pdb=" O ALAIL 4 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N GLYIL 33 " --> pdb=" O METIL 45 " (cutoff:3.500A) removed outlier: 6.611A pdb=" N LYSIL 47 " --> pdb=" O LEUIL 31 " (cutoff:3.500A) removed outlier: 5.491A pdb=" N LEUIL 31 " --> pdb=" O LYSIL 47 " (cutoff:3.500A) Processing sheet with id= HM, first strand: chain 'IM' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUIM 26 " --> pdb=" O THRIM 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISIM 9 " --> pdb=" O LEUIM 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUIM 24 " --> pdb=" O HISIM 9 " (cutoff:3.500A) Processing sheet with id= HN, first strand: chain 'IN' and resid 69 through 76 removed outlier: 4.745A pdb=" N LYSIN 69 " --> pdb=" O LYSIN 11 " (cutoff:3.500A) removed outlier: 6.652A pdb=" N GLUIN 9 " --> pdb=" O VALIN 71 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N SERIN 73 " --> pdb=" O LEUIN 7 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N LEUIN 7 " --> pdb=" O SERIN 73 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N VALIN 75 " --> pdb=" O LEUIN 5 " (cutoff:3.500A) removed outlier: 6.578A pdb=" N LEUIN 5 " --> pdb=" O VALIN 75 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N GLYIN 48 " --> pdb=" O ALAIN 4 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N GLYIN 33 " --> pdb=" O METIN 45 " (cutoff:3.500A) removed outlier: 6.668A pdb=" N LYSIN 47 " --> pdb=" O LEUIN 31 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N LEUIN 31 " --> pdb=" O LYSIN 47 " (cutoff:3.500A) Processing sheet with id= HO, first strand: chain 'IO' and resid 70 through 76 removed outlier: 6.678A pdb=" N GLUIO 9 " --> pdb=" O VALIO 71 " (cutoff:3.500A) removed outlier: 4.392A pdb=" N SERIO 73 " --> pdb=" O LEUIO 7 " (cutoff:3.500A) removed outlier: 6.646A pdb=" N LEUIO 7 " --> pdb=" O SERIO 73 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N VALIO 75 " --> pdb=" O LEUIO 5 " (cutoff:3.500A) removed outlier: 6.615A pdb=" N LEUIO 5 " --> pdb=" O VALIO 75 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N GLYIO 48 " --> pdb=" O ALAIO 4 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N METIO 45 " --> pdb=" O GLYIO 33 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N GLYIO 33 " --> pdb=" O METIO 45 " (cutoff:3.500A) removed outlier: 6.744A pdb=" N LYSIO 47 " --> pdb=" O LEUIO 31 " (cutoff:3.500A) removed outlier: 5.520A pdb=" N LEUIO 31 " --> pdb=" O LYSIO 47 " (cutoff:3.500A) Processing sheet with id= HP, first strand: chain 'IP' and resid 70 through 76 removed outlier: 6.671A pdb=" N GLUIP 9 " --> pdb=" O VALIP 71 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N SERIP 73 " --> pdb=" O LEUIP 7 " (cutoff:3.500A) removed outlier: 6.673A pdb=" N LEUIP 7 " --> pdb=" O SERIP 73 " (cutoff:3.500A) removed outlier: 4.342A pdb=" N VALIP 75 " --> pdb=" O LEUIP 5 " (cutoff:3.500A) removed outlier: 6.470A pdb=" N LEUIP 5 " --> pdb=" O VALIP 75 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLYIP 48 " --> pdb=" O ALAIP 4 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N GLYIP 33 " --> pdb=" O METIP 45 " (cutoff:3.500A) removed outlier: 6.625A pdb=" N LYSIP 47 " --> pdb=" O LEUIP 31 " (cutoff:3.500A) removed outlier: 5.476A pdb=" N LEUIP 31 " --> pdb=" O LYSIP 47 " (cutoff:3.500A) Processing sheet with id= HQ, first strand: chain 'IQ' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUIQ 26 " --> pdb=" O THRIQ 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISIQ 9 " --> pdb=" O LEUIQ 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUIQ 24 " --> pdb=" O HISIQ 9 " (cutoff:3.500A) Processing sheet with id= HR, first strand: chain 'IR' and resid 69 through 76 removed outlier: 4.775A pdb=" N LYSIR 69 " --> pdb=" O LYSIR 11 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N GLUIR 9 " --> pdb=" O VALIR 71 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N SERIR 73 " --> pdb=" O LEUIR 7 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N LEUIR 7 " --> pdb=" O SERIR 73 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N VALIR 75 " --> pdb=" O LEUIR 5 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N LEUIR 5 " --> pdb=" O VALIR 75 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N GLYIR 48 " --> pdb=" O ALAIR 4 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N GLYIR 33 " --> pdb=" O METIR 45 " (cutoff:3.500A) removed outlier: 6.650A pdb=" N LYSIR 47 " --> pdb=" O LEUIR 31 " (cutoff:3.500A) removed outlier: 5.696A pdb=" N LEUIR 31 " --> pdb=" O LYSIR 47 " (cutoff:3.500A) Processing sheet with id= HS, first strand: chain 'IS' and resid 70 through 76 removed outlier: 6.676A pdb=" N GLUIS 9 " --> pdb=" O VALIS 71 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N SERIS 73 " --> pdb=" O LEUIS 7 " (cutoff:3.500A) removed outlier: 6.646A pdb=" N LEUIS 7 " --> pdb=" O SERIS 73 " (cutoff:3.500A) removed outlier: 4.493A pdb=" N VALIS 75 " --> pdb=" O LEUIS 5 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N LEUIS 5 " --> pdb=" O VALIS 75 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N GLYIS 48 " --> pdb=" O ALAIS 4 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N METIS 45 " --> pdb=" O GLYIS 33 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLYIS 33 " --> pdb=" O METIS 45 " (cutoff:3.500A) removed outlier: 6.795A pdb=" N LYSIS 47 " --> pdb=" O LEUIS 31 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N LEUIS 31 " --> pdb=" O LYSIS 47 " (cutoff:3.500A) Processing sheet with id= HT, first strand: chain 'IT' and resid 70 through 76 removed outlier: 6.674A pdb=" N GLUIT 9 " --> pdb=" O VALIT 71 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N SERIT 73 " --> pdb=" O LEUIT 7 " (cutoff:3.500A) removed outlier: 6.693A pdb=" N LEUIT 7 " --> pdb=" O SERIT 73 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N VALIT 75 " --> pdb=" O LEUIT 5 " (cutoff:3.500A) removed outlier: 6.485A pdb=" N LEUIT 5 " --> pdb=" O VALIT 75 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N GLYIT 48 " --> pdb=" O ALAIT 4 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLYIT 33 " --> pdb=" O METIT 45 " (cutoff:3.500A) removed outlier: 6.624A pdb=" N LYSIT 47 " --> pdb=" O LEUIT 31 " (cutoff:3.500A) removed outlier: 5.462A pdb=" N LEUIT 31 " --> pdb=" O LYSIT 47 " (cutoff:3.500A) Processing sheet with id= HU, first strand: chain 'IU' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUIU 26 " --> pdb=" O THRIU 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISIU 9 " --> pdb=" O LEUIU 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUIU 24 " --> pdb=" O HISIU 9 " (cutoff:3.500A) Processing sheet with id= HV, first strand: chain 'IV' and resid 69 through 76 removed outlier: 4.762A pdb=" N LYSIV 69 " --> pdb=" O LYSIV 11 " (cutoff:3.500A) removed outlier: 6.680A pdb=" N GLUIV 9 " --> pdb=" O VALIV 71 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N SERIV 73 " --> pdb=" O LEUIV 7 " (cutoff:3.500A) removed outlier: 6.720A pdb=" N LEUIV 7 " --> pdb=" O SERIV 73 " (cutoff:3.500A) removed outlier: 4.412A pdb=" N VALIV 75 " --> pdb=" O LEUIV 5 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N LEUIV 5 " --> pdb=" O VALIV 75 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLYIV 48 " --> pdb=" O ALAIV 4 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLYIV 33 " --> pdb=" O METIV 45 " (cutoff:3.500A) removed outlier: 6.679A pdb=" N LYSIV 47 " --> pdb=" O LEUIV 31 " (cutoff:3.500A) removed outlier: 5.680A pdb=" N LEUIV 31 " --> pdb=" O LYSIV 47 " (cutoff:3.500A) Processing sheet with id= HW, first strand: chain 'IW' and resid 70 through 76 removed outlier: 6.729A pdb=" N GLUIW 9 " --> pdb=" O VALIW 71 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N SERIW 73 " --> pdb=" O LEUIW 7 " (cutoff:3.500A) removed outlier: 6.644A pdb=" N LEUIW 7 " --> pdb=" O SERIW 73 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N VALIW 75 " --> pdb=" O LEUIW 5 " (cutoff:3.500A) removed outlier: 6.652A pdb=" N LEUIW 5 " --> pdb=" O VALIW 75 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N GLYIW 48 " --> pdb=" O ALAIW 4 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N METIW 45 " --> pdb=" O GLYIW 33 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLYIW 33 " --> pdb=" O METIW 45 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LYSIW 47 " --> pdb=" O LEUIW 31 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N LEUIW 31 " --> pdb=" O LYSIW 47 " (cutoff:3.500A) Processing sheet with id= HX, first strand: chain 'IX' and resid 70 through 76 removed outlier: 6.688A pdb=" N GLUIX 9 " --> pdb=" O VALIX 71 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N SERIX 73 " --> pdb=" O LEUIX 7 " (cutoff:3.500A) removed outlier: 6.671A pdb=" N LEUIX 7 " --> pdb=" O SERIX 73 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N VALIX 75 " --> pdb=" O LEUIX 5 " (cutoff:3.500A) removed outlier: 6.501A pdb=" N LEUIX 5 " --> pdb=" O VALIX 75 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N GLYIX 48 " --> pdb=" O ALAIX 4 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N GLYIX 33 " --> pdb=" O METIX 45 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N LYSIX 47 " --> pdb=" O LEUIX 31 " (cutoff:3.500A) removed outlier: 5.463A pdb=" N LEUIX 31 " --> pdb=" O LYSIX 47 " (cutoff:3.500A) Processing sheet with id= HY, first strand: chain 'IY' and resid 55 through 58 removed outlier: 6.279A pdb=" N LEUIY 26 " --> pdb=" O THRIY 7 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N HISIY 9 " --> pdb=" O LEUIY 24 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N LEUIY 24 " --> pdb=" O HISIY 9 " (cutoff:3.500A) Processing sheet with id= HZ, first strand: chain 'IZ' and resid 69 through 76 removed outlier: 4.746A pdb=" N LYSIZ 69 " --> pdb=" O LYSIZ 11 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N GLUIZ 9 " --> pdb=" O VALIZ 71 " (cutoff:3.500A) removed outlier: 4.258A pdb=" N SERIZ 73 " --> pdb=" O LEUIZ 7 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N LEUIZ 7 " --> pdb=" O SERIZ 73 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VALIZ 75 " --> pdb=" O LEUIZ 5 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEUIZ 5 " --> pdb=" O VALIZ 75 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N GLYIZ 48 " --> pdb=" O ALAIZ 4 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N GLYIZ 33 " --> pdb=" O METIZ 45 " (cutoff:3.500A) removed outlier: 6.671A pdb=" N LYSIZ 47 " --> pdb=" O LEUIZ 31 " (cutoff:3.500A) removed outlier: 5.718A pdb=" N LEUIZ 31 " --> pdb=" O LYSIZ 47 " (cutoff:3.500A) Processing sheet with id= IA, first strand: chain 'JA' and resid 70 through 76 removed outlier: 6.689A pdb=" N GLUJA 9 " --> pdb=" O VALJA 71 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N SERJA 73 " --> pdb=" O LEUJA 7 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N LEUJA 7 " --> pdb=" O SERJA 73 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N VALJA 75 " --> pdb=" O LEUJA 5 " (cutoff:3.500A) removed outlier: 6.650A pdb=" N LEUJA 5 " --> pdb=" O VALJA 75 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N GLYJA 48 " --> pdb=" O ALAJA 4 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N METJA 45 " --> pdb=" O GLYJA 33 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLYJA 33 " --> pdb=" O METJA 45 " (cutoff:3.500A) removed outlier: 6.715A pdb=" N LYSJA 47 " --> pdb=" O LEUJA 31 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N LEUJA 31 " --> pdb=" O LYSJA 47 " (cutoff:3.500A) Processing sheet with id= IB, first strand: chain 'JB' and resid 70 through 76 removed outlier: 6.651A pdb=" N GLUJB 9 " --> pdb=" O VALJB 71 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N SERJB 73 " --> pdb=" O LEUJB 7 " (cutoff:3.500A) removed outlier: 6.661A pdb=" N LEUJB 7 " --> pdb=" O SERJB 73 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N VALJB 75 " --> pdb=" O LEUJB 5 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N LEUJB 5 " --> pdb=" O VALJB 75 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLYJB 48 " --> pdb=" O ALAJB 4 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N GLYJB 33 " --> pdb=" O METJB 45 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LYSJB 47 " --> pdb=" O LEUJB 31 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N LEUJB 31 " --> pdb=" O LYSJB 47 " (cutoff:3.500A) Processing sheet with id= IC, first strand: chain 'JC' and resid 55 through 58 removed outlier: 6.280A pdb=" N LEUJC 26 " --> pdb=" O THRJC 7 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N HISJC 9 " --> pdb=" O LEUJC 24 " (cutoff:3.500A) removed outlier: 7.493A pdb=" N LEUJC 24 " --> pdb=" O HISJC 9 " (cutoff:3.500A) Processing sheet with id= ID, first strand: chain 'JD' and resid 69 through 76 removed outlier: 4.770A pdb=" N LYSJD 69 " --> pdb=" O LYSJD 11 " (cutoff:3.500A) removed outlier: 6.678A pdb=" N GLUJD 9 " --> pdb=" O VALJD 71 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N SERJD 73 " --> pdb=" O LEUJD 7 " (cutoff:3.500A) removed outlier: 6.700A pdb=" N LEUJD 7 " --> pdb=" O SERJD 73 " (cutoff:3.500A) removed outlier: 4.381A pdb=" N VALJD 75 " --> pdb=" O LEUJD 5 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N LEUJD 5 " --> pdb=" O VALJD 75 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N GLYJD 48 " --> pdb=" O ALAJD 4 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N GLYJD 33 " --> pdb=" O METJD 45 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LYSJD 47 " --> pdb=" O LEUJD 31 " (cutoff:3.500A) removed outlier: 5.696A pdb=" N LEUJD 31 " --> pdb=" O LYSJD 47 " (cutoff:3.500A) Processing sheet with id= IE, first strand: chain 'JE' and resid 69 through 76 removed outlier: 4.910A pdb=" N LYSJE 69 " --> pdb=" O LYSJE 11 " (cutoff:3.500A) removed outlier: 6.767A pdb=" N GLUJE 9 " --> pdb=" O VALJE 71 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N SERJE 73 " --> pdb=" O LEUJE 7 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N LEUJE 7 " --> pdb=" O SERJE 73 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N VALJE 75 " --> pdb=" O LEUJE 5 " (cutoff:3.500A) removed outlier: 6.608A pdb=" N LEUJE 5 " --> pdb=" O VALJE 75 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N METJE 45 " --> pdb=" O GLYJE 33 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLYJE 33 " --> pdb=" O METJE 45 " (cutoff:3.500A) removed outlier: 6.693A pdb=" N LYSJE 47 " --> pdb=" O LEUJE 31 " (cutoff:3.500A) removed outlier: 5.565A pdb=" N LEUJE 31 " --> pdb=" O LYSJE 47 " (cutoff:3.500A) Processing sheet with id= IF, first strand: chain 'JF' and resid 70 through 76 removed outlier: 6.758A pdb=" N GLUJF 9 " --> pdb=" O VALJF 71 " (cutoff:3.500A) removed outlier: 4.455A pdb=" N SERJF 73 " --> pdb=" O LEUJF 7 " (cutoff:3.500A) removed outlier: 6.735A pdb=" N LEUJF 7 " --> pdb=" O SERJF 73 " (cutoff:3.500A) removed outlier: 4.427A pdb=" N VALJF 75 " --> pdb=" O LEUJF 5 " (cutoff:3.500A) removed outlier: 6.559A pdb=" N LEUJF 5 " --> pdb=" O VALJF 75 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLYJF 33 " --> pdb=" O METJF 45 " (cutoff:3.500A) removed outlier: 6.579A pdb=" N LYSJF 47 " --> pdb=" O LEUJF 31 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N LEUJF 31 " --> pdb=" O LYSJF 47 " (cutoff:3.500A) 6892 hydrogen bonds defined for protein. 19587 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: 83.26 Time building geometry restraints manager: 46.80 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.22 - 1.34: 48985 1.34 - 1.45: 10539 1.45 - 1.57: 81056 1.57 - 1.69: 0 1.69 - 1.81: 1620 Bond restraints: 142200 Sorted by residual: bond pdb=" CB ARGJD 66 " pdb=" CG ARGJD 66 " ideal model delta sigma weight residual 1.520 1.434 0.086 3.00e-02 1.11e+03 8.17e+00 bond pdb=" CG LEUAR 7 " pdb=" CD2 LEUAR 7 " ideal model delta sigma weight residual 1.521 1.441 0.080 3.30e-02 9.18e+02 5.91e+00 bond pdb=" CB GLUJF 62 " pdb=" CG GLUJF 62 " ideal model delta sigma weight residual 1.520 1.453 0.067 3.00e-02 1.11e+03 5.06e+00 bond pdb=" CG LEUBI 7 " pdb=" CD2 LEUBI 7 " ideal model delta sigma weight residual 1.521 1.454 0.067 3.30e-02 9.18e+02 4.12e+00 bond pdb=" CG LEUFM 7 " pdb=" CD2 LEUFM 7 " ideal model delta sigma weight residual 1.521 1.454 0.067 3.30e-02 9.18e+02 4.09e+00 ... (remaining 142195 not shown) Histogram of bond angle deviations from ideal: 100.20 - 106.95: 2300 106.95 - 113.69: 86576 113.69 - 120.44: 48790 120.44 - 127.19: 53614 127.19 - 133.94: 660 Bond angle restraints: 191940 Sorted by residual: angle pdb=" NE ARGDZ 78 " pdb=" CZ ARGDZ 78 " pdb=" NH1 ARGDZ 78 " ideal model delta sigma weight residual 121.50 116.76 4.74 1.00e+00 1.00e+00 2.25e+01 angle pdb=" C GLUJF 35 " pdb=" N ASNJF 36 " pdb=" CA ASNJF 36 " ideal model delta sigma weight residual 122.81 116.72 6.09 1.57e+00 4.06e-01 1.51e+01 angle pdb=" C VALCZ 57 " pdb=" N ASPCZ 58 " pdb=" CA ASPCZ 58 " ideal model delta sigma weight residual 120.29 115.39 4.90 1.42e+00 4.96e-01 1.19e+01 angle pdb=" NE ARGDZ 78 " pdb=" CZ ARGDZ 78 " pdb=" NH2 ARGDZ 78 " ideal model delta sigma weight residual 119.20 122.24 -3.04 9.00e-01 1.23e+00 1.14e+01 angle pdb=" CB LEUAR 7 " pdb=" CG LEUAR 7 " pdb=" CD2 LEUAR 7 " ideal model delta sigma weight residual 110.70 101.09 9.61 3.00e+00 1.11e-01 1.03e+01 ... (remaining 191935 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 17.65: 78206 17.65 - 35.30: 7116 35.30 - 52.95: 1139 52.95 - 70.60: 198 70.60 - 88.25: 161 Dihedral angle restraints: 86820 sinusoidal: 31500 harmonic: 55320 Sorted by residual: dihedral pdb=" CA GLUHC 60 " pdb=" C GLUHC 60 " pdb=" N TYRHC 61 " pdb=" CA TYRHC 61 " ideal model delta harmonic sigma weight residual -180.00 -154.55 -25.45 0 5.00e+00 4.00e-02 2.59e+01 dihedral pdb=" CA GLUCI 60 " pdb=" C GLUCI 60 " pdb=" N TYRCI 61 " pdb=" CA TYRCI 61 " ideal model delta harmonic sigma weight residual -180.00 -154.55 -25.45 0 5.00e+00 4.00e-02 2.59e+01 dihedral pdb=" CA GLUIQ 60 " pdb=" C GLUIQ 60 " pdb=" N TYRIQ 61 " pdb=" CA TYRIQ 61 " ideal model delta harmonic sigma weight residual -180.00 -154.56 -25.44 0 5.00e+00 4.00e-02 2.59e+01 ... (remaining 86817 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.032: 14703 0.032 - 0.064: 6536 0.064 - 0.096: 1221 0.096 - 0.128: 1414 0.128 - 0.160: 66 Chirality restraints: 23940 Sorted by residual: chirality pdb=" CA ILEJE 76 " pdb=" N ILEJE 76 " pdb=" C ILEJE 76 " pdb=" CB ILEJE 76 " both_signs ideal model delta sigma weight residual False 2.43 2.59 -0.16 2.00e-01 2.50e+01 6.41e-01 chirality pdb=" CA VALJE 42 " pdb=" N VALJE 42 " pdb=" C VALJE 42 " pdb=" CB VALJE 42 " both_signs ideal model delta sigma weight residual False 2.44 2.59 -0.15 2.00e-01 2.50e+01 5.59e-01 chirality pdb=" CA VALJF 42 " pdb=" N VALJF 42 " pdb=" C VALJF 42 " pdb=" CB VALJF 42 " both_signs ideal model delta sigma weight residual False 2.44 2.58 -0.14 2.00e-01 2.50e+01 5.09e-01 ... (remaining 23937 not shown) Planarity restraints: 24720 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA THRJE 10 " 0.010 2.00e-02 2.50e+03 1.93e-02 3.71e+00 pdb=" C THRJE 10 " -0.033 2.00e-02 2.50e+03 pdb=" O THRJE 10 " 0.013 2.00e-02 2.50e+03 pdb=" N LYSJE 11 " 0.011 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA ASNDA 54 " 0.007 2.00e-02 2.50e+03 1.48e-02 2.20e+00 pdb=" C ASNDA 54 " -0.026 2.00e-02 2.50e+03 pdb=" O ASNDA 54 " 0.010 2.00e-02 2.50e+03 pdb=" N ALADA 55 " 0.009 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA ASNGW 54 " -0.007 2.00e-02 2.50e+03 1.47e-02 2.17e+00 pdb=" C ASNGW 54 " 0.025 2.00e-02 2.50e+03 pdb=" O ASNGW 54 " -0.010 2.00e-02 2.50e+03 pdb=" N ALAGW 55 " -0.009 2.00e-02 2.50e+03 ... (remaining 24717 not shown) Histogram of nonbonded interaction distances: 1.90 - 2.50: 277 2.50 - 3.10: 98378 3.10 - 3.70: 194359 3.70 - 4.30: 283216 4.30 - 4.90: 511064 Nonbonded interactions: 1087294 Sorted by model distance: nonbonded pdb=" OG1 THRBO 13 " pdb=" OE1 GLUGQ 79 " model vdw 1.898 2.440 nonbonded pdb=" OE1 GLUAI 79 " pdb=" OG1 THRAM 13 " model vdw 1.961 2.440 nonbonded pdb=" OE1 GLUFG 79 " pdb=" OG1 THRGI 13 " model vdw 1.977 2.440 nonbonded pdb=" OG1 THRGQ 13 " pdb=" OE1 GLUHW 79 " model vdw 2.081 2.440 nonbonded pdb=" OE1 GLUEY 79 " pdb=" OG1 THRFG 13 " model vdw 2.096 2.440 ... (remaining 1087289 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain 'AA' selection = chain 'AE' selection = chain 'AI' selection = chain 'AM' selection = chain 'AQ' selection = chain 'AU' selection = chain 'AY' selection = chain 'BC' selection = chain 'BG' selection = chain 'BK' selection = chain 'BO' selection = chain 'BS' selection = chain 'BW' selection = chain 'CA' selection = chain 'CE' selection = chain 'CI' selection = chain 'CM' selection = chain 'CQ' selection = chain 'CU' selection = chain 'CY' selection = chain 'DC' selection = chain 'DG' selection = chain 'DK' selection = chain 'DO' selection = chain 'DS' selection = chain 'DW' selection = chain 'EA' selection = chain 'EE' selection = chain 'EI' selection = chain 'EM' selection = chain 'EQ' selection = chain 'EU' selection = chain 'EY' selection = chain 'FC' selection = chain 'FG' selection = chain 'FK' selection = chain 'FO' selection = chain 'FS' selection = chain 'FW' selection = chain 'GA' selection = chain 'GE' selection = chain 'GI' selection = chain 'GM' selection = chain 'GQ' selection = chain 'GU' selection = chain 'GY' selection = chain 'HC' selection = chain 'HG' selection = chain 'HK' selection = chain 'HO' selection = chain 'HS' selection = chain 'HW' selection = chain 'IA' selection = chain 'IE' selection = chain 'II' selection = chain 'IM' selection = chain 'IQ' selection = chain 'IU' selection = chain 'IY' selection = chain 'JC' } ncs_group { reference = chain 'AB' selection = chain 'AC' selection = (chain 'AD' and resid 3 through 83) selection = chain 'AF' selection = chain 'AG' selection = (chain 'AH' and resid 3 through 83) selection = chain 'AJ' selection = chain 'AK' selection = (chain 'AL' and resid 3 through 83) selection = chain 'AN' selection = chain 'AO' selection = (chain 'AP' and resid 3 through 83) selection = chain 'AR' selection = chain 'AS' selection = (chain 'AT' and resid 3 through 83) selection = chain 'AV' selection = chain 'AW' selection = (chain 'AX' and resid 3 through 83) selection = chain 'AZ' selection = chain 'BA' selection = (chain 'BB' and resid 3 through 83) selection = chain 'BD' selection = chain 'BE' selection = (chain 'BF' and resid 3 through 83) selection = chain 'BH' selection = chain 'BI' selection = (chain 'BJ' and resid 3 through 83) selection = chain 'BL' selection = chain 'BM' selection = (chain 'BN' and resid 3 through 83) selection = chain 'BP' selection = chain 'BQ' selection = (chain 'BR' and resid 3 through 83) selection = chain 'BT' selection = chain 'BU' selection = (chain 'BV' and resid 3 through 83) selection = chain 'BX' selection = chain 'BY' selection = (chain 'BZ' and resid 3 through 83) selection = chain 'CB' selection = chain 'CC' selection = (chain 'CD' and resid 3 through 83) selection = chain 'CF' selection = chain 'CG' selection = (chain 'CH' and resid 3 through 83) selection = chain 'CJ' selection = chain 'CK' selection = (chain 'CL' and resid 3 through 83) selection = chain 'CN' selection = chain 'CO' selection = (chain 'CP' and resid 3 through 83) selection = chain 'CR' selection = chain 'CS' selection = (chain 'CT' and resid 3 through 83) selection = chain 'CV' selection = chain 'CW' selection = (chain 'CX' and resid 3 through 83) selection = chain 'CZ' selection = chain 'DA' selection = (chain 'DB' and resid 3 through 83) selection = chain 'DD' selection = chain 'DE' selection = (chain 'DF' and resid 3 through 83) selection = chain 'DH' selection = chain 'DI' selection = (chain 'DJ' and resid 3 through 83) selection = chain 'DL' selection = chain 'DM' selection = (chain 'DN' and resid 3 through 83) selection = chain 'DP' selection = chain 'DQ' selection = (chain 'DR' and resid 3 through 83) selection = chain 'DT' selection = chain 'DU' selection = (chain 'DV' and resid 3 through 83) selection = chain 'DX' selection = chain 'DY' selection = (chain 'DZ' and resid 3 through 83) selection = chain 'EB' selection = chain 'EC' selection = (chain 'ED' and resid 3 through 83) selection = chain 'EF' selection = chain 'EG' selection = (chain 'EH' and resid 3 through 83) selection = chain 'EJ' selection = chain 'EK' selection = (chain 'EL' and resid 3 through 83) selection = chain 'EN' selection = chain 'EO' selection = (chain 'EP' and resid 3 through 83) selection = chain 'ER' selection = chain 'ES' selection = (chain 'ET' and resid 3 through 83) selection = chain 'EV' selection = chain 'EW' selection = (chain 'EX' and resid 3 through 83) selection = chain 'EZ' selection = chain 'FA' selection = (chain 'FB' and resid 3 through 83) selection = chain 'FD' selection = chain 'FE' selection = (chain 'FF' and resid 3 through 83) selection = chain 'FH' selection = chain 'FI' selection = (chain 'FJ' and resid 3 through 83) selection = chain 'FL' selection = chain 'FM' selection = (chain 'FN' and resid 3 through 83) selection = chain 'FP' selection = chain 'FQ' selection = (chain 'FR' and resid 3 through 83) selection = chain 'FT' selection = chain 'FU' selection = (chain 'FV' and resid 3 through 83) selection = chain 'FX' selection = chain 'FY' selection = (chain 'FZ' and resid 3 through 83) selection = chain 'GB' selection = chain 'GC' selection = (chain 'GD' and resid 3 through 83) selection = chain 'GF' selection = chain 'GG' selection = (chain 'GH' and resid 3 through 83) selection = chain 'GJ' selection = chain 'GK' selection = (chain 'GL' and resid 3 through 83) selection = chain 'GN' selection = chain 'GO' selection = (chain 'GP' and resid 3 through 83) selection = chain 'GR' selection = chain 'GS' selection = (chain 'GT' and resid 3 through 83) selection = chain 'GV' selection = chain 'GW' selection = (chain 'GX' and resid 3 through 83) selection = chain 'GZ' selection = chain 'HA' selection = (chain 'HB' and resid 3 through 83) selection = chain 'HD' selection = chain 'HE' selection = (chain 'HF' and resid 3 through 83) selection = chain 'HH' selection = chain 'HI' selection = (chain 'HJ' and resid 3 through 83) selection = chain 'HL' selection = chain 'HM' selection = (chain 'HN' and resid 3 through 83) selection = chain 'HP' selection = chain 'HQ' selection = (chain 'HR' and resid 3 through 83) selection = chain 'HT' selection = chain 'HU' selection = (chain 'HV' and resid 3 through 83) selection = chain 'HX' selection = chain 'HY' selection = (chain 'HZ' and resid 3 through 83) selection = chain 'IB' selection = chain 'IC' selection = (chain 'ID' and resid 3 through 83) selection = chain 'IF' selection = chain 'IG' selection = (chain 'IH' and resid 3 through 83) selection = chain 'IJ' selection = chain 'IK' selection = (chain 'IL' and resid 3 through 83) selection = chain 'IN' selection = chain 'IO' selection = (chain 'IP' and resid 3 through 83) selection = chain 'IR' selection = chain 'IS' selection = (chain 'IT' and resid 3 through 83) selection = chain 'IV' selection = chain 'IW' selection = (chain 'IX' and resid 3 through 83) selection = chain 'IZ' selection = chain 'JA' selection = (chain 'JB' and resid 3 through 83) selection = chain 'JD' selection = chain 'JE' selection = (chain 'JF' and resid 3 through 83) } 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: 2.070 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.140 Extract box with map and model: 12.230 Check model and map are aligned: 1.390 Set scattering table: 0.920 Process input model: 312.010 Find NCS groups from input model: 9.410 Set up NCS constraints: 1.800 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: 0.020 Load rotamer database and sin/cos tables:2.290 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 342.280 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8295 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 0.086 142200 Z= 0.498 Angle : 0.658 9.607 191940 Z= 0.378 Chirality : 0.043 0.160 23940 Planarity : 0.002 0.026 24720 Dihedral : 14.372 88.252 51180 Min Nonbonded Distance : 1.898 Molprobity Statistics. All-atom Clashscore : 4.45 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.94 % Favored : 95.06 % Rotamer: Outliers : 0.41 % Allowed : 2.28 % Favored : 97.31 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.95 (0.05), residues: 19140 helix: -2.33 (0.06), residues: 5580 sheet: -0.90 (0.06), residues: 6480 loop : -2.47 (0.06), residues: 7080 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.002 TRPBO 42 HIS 0.003 0.001 HISFH 80 PHE 0.008 0.002 PHEBW 62 TYR 0.005 0.001 TYRIW 34 ARG 0.008 0.000 ARGJD 66 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5639 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 60 poor density : 5579 time to evaluate : 13.537 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AA 72 MET cc_start: 0.8663 (ttt) cc_final: 0.8403 (ttt) REVERT: AC 21 ASP cc_start: 0.7927 (t70) cc_final: 0.7681 (t70) REVERT: AC 47 LYS cc_start: 0.8630 (ptmm) cc_final: 0.8401 (ptmm) REVERT: AF 54 ASN cc_start: 0.8511 (t0) cc_final: 0.8140 (m-40) REVERT: AI 18 GLU cc_start: 0.6711 (tt0) cc_final: 0.6470 (tt0) REVERT: AJ 47 LYS cc_start: 0.8374 (ptmm) cc_final: 0.8145 (ptmm) REVERT: AL 34 TYR cc_start: 0.8948 (m-80) cc_final: 0.8620 (m-80) REVERT: AM 18 GLU cc_start: 0.7089 (tt0) cc_final: 0.6815 (tt0) REVERT: AM 60 GLU cc_start: 0.7023 (mm-30) cc_final: 0.6821 (mp0) REVERT: AO 47 LYS cc_start: 0.8643 (ptmm) cc_final: 0.8429 (pttp) REVERT: AO 69 LYS cc_start: 0.8526 (ttpt) cc_final: 0.8307 (ttpt) REVERT: AQ 60 GLU cc_start: 0.7223 (mm-30) cc_final: 0.6907 (mp0) REVERT: AT 47 LYS cc_start: 0.8685 (ttpt) cc_final: 0.8389 (tppt) REVERT: AU 60 GLU cc_start: 0.7500 (mm-30) cc_final: 0.7274 (tp30) REVERT: AX 47 LYS cc_start: 0.8598 (ttpt) cc_final: 0.8352 (ttmt) REVERT: BB 34 TYR cc_start: 0.8828 (m-80) cc_final: 0.8574 (m-80) REVERT: BE 82 ASP cc_start: 0.7465 (m-30) cc_final: 0.7260 (m-30) REVERT: BG 60 GLU cc_start: 0.7331 (mm-30) cc_final: 0.7066 (mp0) REVERT: BJ 47 LYS cc_start: 0.8709 (ttpt) cc_final: 0.8428 (tppt) REVERT: BN 34 TYR cc_start: 0.8898 (m-80) cc_final: 0.8615 (m-80) REVERT: BN 47 LYS cc_start: 0.8673 (ttpt) cc_final: 0.8466 (ttmm) REVERT: BO 1 MET cc_start: 0.8112 (mpp) cc_final: 0.7727 (mpp) REVERT: BO 20 ARG cc_start: 0.8311 (mmt180) cc_final: 0.8050 (mmt180) REVERT: BO 52 MET cc_start: 0.8353 (mmm) cc_final: 0.8037 (mmm) REVERT: BO 60 GLU cc_start: 0.7411 (mm-30) cc_final: 0.7185 (mp0) REVERT: BP 67 ILE cc_start: 0.8718 (pt) cc_final: 0.8387 (pt) REVERT: BR 47 LYS cc_start: 0.8510 (ttpt) cc_final: 0.8267 (ttmt) REVERT: BS 1 MET cc_start: 0.8421 (mpp) cc_final: 0.8076 (mpp) REVERT: BS 39 ASP cc_start: 0.7992 (m-30) cc_final: 0.7781 (m-30) REVERT: BT 54 ASN cc_start: 0.8598 (t0) cc_final: 0.8210 (m-40) REVERT: BU 62 GLU cc_start: 0.7629 (tp30) cc_final: 0.7374 (mm-30) REVERT: BW 60 GLU cc_start: 0.7307 (mm-30) cc_final: 0.7026 (mp0) REVERT: BZ 47 LYS cc_start: 0.8735 (ttpt) cc_final: 0.8500 (ttmm) REVERT: BZ 84 GLU cc_start: 0.7525 (mt-10) cc_final: 0.7317 (mt-10) REVERT: CD 34 TYR cc_start: 0.8908 (m-80) cc_final: 0.8598 (m-80) REVERT: CE 54 ASP cc_start: 0.7077 (m-30) cc_final: 0.6828 (m-30) REVERT: CE 79 GLU cc_start: 0.7988 (mt-10) cc_final: 0.7624 (mt-10) REVERT: CF 67 ILE cc_start: 0.8597 (pt) cc_final: 0.8347 (pt) REVERT: CH 47 LYS cc_start: 0.8700 (ttpt) cc_final: 0.8487 (ttmt) REVERT: CI 60 GLU cc_start: 0.7184 (mm-30) cc_final: 0.6835 (mp0) REVERT: CI 84 ASP cc_start: 0.7127 (t70) cc_final: 0.6822 (t0) REVERT: CL 47 LYS cc_start: 0.8685 (ttpt) cc_final: 0.8400 (tppt) REVERT: CL 86 ILE cc_start: 0.7653 (mt) cc_final: 0.7437 (mt) REVERT: CN 54 ASN cc_start: 0.8496 (t0) cc_final: 0.8187 (m-40) REVERT: CQ 37 MET cc_start: 0.8052 (mtp) cc_final: 0.7836 (mtm) REVERT: CT 86 ILE cc_start: 0.7517 (mt) cc_final: 0.6629 (mt) REVERT: CU 60 GLU cc_start: 0.7477 (mm-30) cc_final: 0.7267 (tp30) REVERT: CU 72 MET cc_start: 0.8696 (ttt) cc_final: 0.8456 (ttt) REVERT: CX 47 LYS cc_start: 0.8538 (ttpt) cc_final: 0.8309 (ttmt) REVERT: CY 60 GLU cc_start: 0.7291 (mm-30) cc_final: 0.6993 (mp0) REVERT: DB 47 LYS cc_start: 0.8724 (ttpt) cc_final: 0.8483 (ttmm) REVERT: DD 54 ASN cc_start: 0.8449 (t0) cc_final: 0.8151 (m-40) REVERT: DF 86 ILE cc_start: 0.7852 (mt) cc_final: 0.7090 (mt) REVERT: DG 1 MET cc_start: 0.8090 (mpp) cc_final: 0.7766 (mpp) REVERT: DG 33 LYS cc_start: 0.8630 (mmtp) cc_final: 0.8402 (mmmt) REVERT: DG 52 MET cc_start: 0.8369 (mmm) cc_final: 0.8151 (mmm) REVERT: DG 60 GLU cc_start: 0.7106 (mm-30) cc_final: 0.6842 (mm-30) REVERT: DG 72 MET cc_start: 0.8541 (ttt) cc_final: 0.8306 (ttt) REVERT: DI 47 LYS cc_start: 0.8812 (ptmm) cc_final: 0.8501 (ptmm) REVERT: DJ 47 LYS cc_start: 0.8545 (ttpt) cc_final: 0.8308 (ttmt) REVERT: DK 72 MET cc_start: 0.8511 (ttt) cc_final: 0.8296 (ttt) REVERT: DM 47 LYS cc_start: 0.8631 (ptmm) cc_final: 0.8420 (ptmm) REVERT: DN 9 GLU cc_start: 0.8231 (tt0) cc_final: 0.8002 (tt0) REVERT: DO 18 GLU cc_start: 0.6949 (tt0) cc_final: 0.6663 (tt0) REVERT: DR 34 TYR cc_start: 0.8833 (m-80) cc_final: 0.8610 (m-80) REVERT: DT 54 ASN cc_start: 0.8596 (t0) cc_final: 0.8256 (m-40) REVERT: DV 66 ARG cc_start: 0.7788 (ttm170) cc_final: 0.7577 (ttp-170) REVERT: DW 1 MET cc_start: 0.8352 (mpp) cc_final: 0.8062 (mpp) REVERT: DX 47 LYS cc_start: 0.8444 (ptmt) cc_final: 0.8159 (ptmt) REVERT: DX 67 ILE cc_start: 0.8678 (pt) cc_final: 0.8407 (pt) REVERT: DZ 47 LYS cc_start: 0.8503 (ttpt) cc_final: 0.8263 (ttmt) REVERT: EC 82 ASP cc_start: 0.7377 (m-30) cc_final: 0.7066 (m-30) REVERT: ED 9 GLU cc_start: 0.8253 (tt0) cc_final: 0.8017 (tt0) REVERT: EF 54 ASN cc_start: 0.8416 (t0) cc_final: 0.8148 (m-40) REVERT: EL 34 TYR cc_start: 0.8913 (m-80) cc_final: 0.8583 (m-80) REVERT: EL 54 ASN cc_start: 0.8703 (t0) cc_final: 0.8244 (m-40) REVERT: EM 84 ASP cc_start: 0.7077 (t70) cc_final: 0.6726 (t0) REVERT: EP 86 ILE cc_start: 0.7529 (mt) cc_final: 0.7318 (mt) REVERT: EQ 18 GLU cc_start: 0.7051 (tt0) cc_final: 0.6836 (tt0) REVERT: ES 47 LYS cc_start: 0.8653 (ptmm) cc_final: 0.8398 (ptmm) REVERT: EX 34 TYR cc_start: 0.8908 (m-80) cc_final: 0.8610 (m-80) REVERT: EX 86 ILE cc_start: 0.8104 (mt) cc_final: 0.6413 (mt) REVERT: EZ 54 ASN cc_start: 0.8622 (t0) cc_final: 0.8260 (m-40) REVERT: FA 47 LYS cc_start: 0.8716 (ptmm) cc_final: 0.8502 (ptmm) REVERT: FA 62 GLU cc_start: 0.7620 (mm-30) cc_final: 0.7401 (mm-30) REVERT: FC 72 MET cc_start: 0.8531 (ttt) cc_final: 0.8329 (ttt) REVERT: FE 47 LYS cc_start: 0.8563 (ptmm) cc_final: 0.8326 (pttp) REVERT: FG 52 MET cc_start: 0.8423 (mmm) cc_final: 0.8197 (mmm) REVERT: FI 47 LYS cc_start: 0.8781 (ptmm) cc_final: 0.8503 (ptmm) REVERT: FK 52 MET cc_start: 0.8508 (mmm) cc_final: 0.8062 (mmm) REVERT: FK 60 GLU cc_start: 0.7306 (mm-30) cc_final: 0.7084 (mp0) REVERT: FL 47 LYS cc_start: 0.8504 (ptmt) cc_final: 0.8138 (ptmt) REVERT: FM 47 LYS cc_start: 0.8481 (ptmm) cc_final: 0.8278 (ptmm) REVERT: FN 47 LYS cc_start: 0.8719 (ttpt) cc_final: 0.8445 (tppt) REVERT: FN 86 ILE cc_start: 0.7638 (mt) cc_final: 0.7365 (mt) REVERT: FU 21 ASP cc_start: 0.7939 (t70) cc_final: 0.7653 (t70) REVERT: FU 47 LYS cc_start: 0.8687 (ptmm) cc_final: 0.8408 (ptmm) REVERT: FW 1 MET cc_start: 0.8177 (mpp) cc_final: 0.7949 (mpp) REVERT: FW 20 ARG cc_start: 0.8490 (mmt180) cc_final: 0.8253 (mmt180) REVERT: FW 60 GLU cc_start: 0.7446 (mm-30) cc_final: 0.7066 (mp0) REVERT: FW 72 MET cc_start: 0.8768 (ttt) cc_final: 0.8487 (ttt) REVERT: GA 20 ARG cc_start: 0.8533 (mmt180) cc_final: 0.8312 (tpp-160) REVERT: GA 39 ASP cc_start: 0.8041 (m-30) cc_final: 0.7826 (m-30) REVERT: GB 54 ASN cc_start: 0.8502 (t0) cc_final: 0.8194 (m-40) REVERT: GE 60 GLU cc_start: 0.7153 (mm-30) cc_final: 0.6810 (mp0) REVERT: GE 84 ASP cc_start: 0.7066 (t70) cc_final: 0.6802 (t0) REVERT: GH 47 LYS cc_start: 0.8740 (ttpt) cc_final: 0.8393 (tppt) REVERT: GH 84 GLU cc_start: 0.7488 (mt-10) cc_final: 0.7287 (mt-10) REVERT: GH 86 ILE cc_start: 0.7671 (mt) cc_final: 0.7324 (mt) REVERT: GI 18 GLU cc_start: 0.7235 (tt0) cc_final: 0.6945 (tt0) REVERT: GL 34 TYR cc_start: 0.8880 (m-80) cc_final: 0.8614 (m-80) REVERT: GM 72 MET cc_start: 0.8702 (ttt) cc_final: 0.8478 (ttt) REVERT: GN 54 ASN cc_start: 0.8566 (t0) cc_final: 0.8366 (m-40) REVERT: GP 47 LYS cc_start: 0.8692 (ttpt) cc_final: 0.8452 (ttmt) REVERT: GQ 60 GLU cc_start: 0.7423 (mm-30) cc_final: 0.7193 (mp0) REVERT: GR 54 ASN cc_start: 0.8499 (t0) cc_final: 0.8244 (m-40) REVERT: GU 54 ASP cc_start: 0.7204 (m-30) cc_final: 0.6982 (m-30) REVERT: GU 60 GLU cc_start: 0.7178 (mm-30) cc_final: 0.6919 (mp0) REVERT: GU 83 ARG cc_start: 0.8258 (ttp-170) cc_final: 0.8048 (ttm-80) REVERT: GU 84 ASP cc_start: 0.7089 (t70) cc_final: 0.6773 (t0) REVERT: GX 47 LYS cc_start: 0.8663 (ttpt) cc_final: 0.8442 (tppt) REVERT: GY 1 MET cc_start: 0.8105 (mpp) cc_final: 0.7748 (mpp) REVERT: GY 5 LYS cc_start: 0.8738 (ttmt) cc_final: 0.8523 (ttpp) REVERT: GY 20 ARG cc_start: 0.8414 (mmt180) cc_final: 0.8164 (mmt180) REVERT: GY 52 MET cc_start: 0.8308 (mmm) cc_final: 0.7933 (mmm) REVERT: GY 60 GLU cc_start: 0.7502 (mm-30) cc_final: 0.7151 (mp0) REVERT: HB 47 LYS cc_start: 0.8501 (ttpt) cc_final: 0.8282 (ttmt) REVERT: HF 34 TYR cc_start: 0.8959 (m-80) cc_final: 0.8637 (m-80) REVERT: HF 86 ILE cc_start: 0.7944 (mt) cc_final: 0.7321 (mm) REVERT: HH 74 ARG cc_start: 0.7499 (tpt170) cc_final: 0.7225 (tpt170) REVERT: HK 60 GLU cc_start: 0.7234 (mm-30) cc_final: 0.6951 (mp0) REVERT: HK 84 ASP cc_start: 0.7116 (t70) cc_final: 0.6801 (t0) REVERT: HN 47 LYS cc_start: 0.8677 (ttpt) cc_final: 0.8393 (tppt) REVERT: HO 20 ARG cc_start: 0.8519 (mmt180) cc_final: 0.8279 (mmt180) REVERT: HO 60 GLU cc_start: 0.7315 (mm-30) cc_final: 0.7080 (tp30) REVERT: HO 79 GLU cc_start: 0.7813 (mt-10) cc_final: 0.7572 (mt-10) REVERT: HR 47 LYS cc_start: 0.8667 (ttpt) cc_final: 0.8440 (ttmt) REVERT: HR 86 ILE cc_start: 0.7795 (mt) cc_final: 0.7563 (mt) REVERT: HV 34 TYR cc_start: 0.8751 (m-80) cc_final: 0.8516 (m-80) REVERT: HV 85 LYS cc_start: 0.7945 (pttp) cc_final: 0.7650 (pttp) REVERT: HW 60 GLU cc_start: 0.7137 (mm-30) cc_final: 0.6846 (mp0) REVERT: HX 47 LYS cc_start: 0.8479 (ptmt) cc_final: 0.8182 (ptmt) REVERT: HX 54 ASN cc_start: 0.8456 (t0) cc_final: 0.8198 (m-40) REVERT: HZ 47 LYS cc_start: 0.8734 (ttpt) cc_final: 0.8528 (ttmm) REVERT: IC 47 LYS cc_start: 0.8627 (ptmm) cc_final: 0.8365 (ptmm) REVERT: IF 47 LYS cc_start: 0.8473 (ptmt) cc_final: 0.8242 (ptmt) REVERT: IF 54 ASN cc_start: 0.8581 (t0) cc_final: 0.8269 (m-40) REVERT: IG 62 GLU cc_start: 0.7640 (tp30) cc_final: 0.7434 (mm-30) REVERT: IK 47 LYS cc_start: 0.8737 (ptmm) cc_final: 0.8536 (pttp) REVERT: IL 34 TYR cc_start: 0.8948 (m-80) cc_final: 0.8605 (m-80) REVERT: IM 60 GLU cc_start: 0.7224 (mm-30) cc_final: 0.6896 (mp0) REVERT: IM 84 ASP cc_start: 0.7125 (t70) cc_final: 0.6824 (t0) REVERT: IP 47 LYS cc_start: 0.8716 (ttpt) cc_final: 0.8392 (tppt) REVERT: IQ 38 LYS cc_start: 0.8380 (mptt) cc_final: 0.8166 (ttpp) REVERT: IQ 72 MET cc_start: 0.8737 (ttt) cc_final: 0.8489 (ttt) REVERT: IS 21 ASP cc_start: 0.7944 (t70) cc_final: 0.7688 (t70) REVERT: IS 47 LYS cc_start: 0.8596 (ptmm) cc_final: 0.8388 (ptmm) REVERT: IW 62 GLU cc_start: 0.7141 (mm-30) cc_final: 0.6939 (mm-30) REVERT: IX 34 TYR cc_start: 0.8894 (m-80) cc_final: 0.8572 (m-80) REVERT: IY 37 MET cc_start: 0.8085 (mtp) cc_final: 0.7860 (mtp) REVERT: IZ 54 ASN cc_start: 0.8530 (t0) cc_final: 0.8203 (m-40) REVERT: JC 5 LYS cc_start: 0.8632 (ttmt) cc_final: 0.8430 (ttpp) REVERT: JC 60 GLU cc_start: 0.7219 (mm-30) cc_final: 0.6914 (mp0) REVERT: JC 72 MET cc_start: 0.8728 (ttt) cc_final: 0.8419 (ttt) REVERT: JD 47 LYS cc_start: 0.8455 (ptmt) cc_final: 0.8159 (ptmt) REVERT: JD 54 ASN cc_start: 0.8612 (t0) cc_final: 0.8390 (m-40) REVERT: JD 67 ILE cc_start: 0.8659 (pt) cc_final: 0.8416 (pt) REVERT: JF 47 LYS cc_start: 0.8698 (ttpt) cc_final: 0.8373 (tppt) REVERT: JF 86 ILE cc_start: 0.7735 (mt) cc_final: 0.7525 (mt) outliers start: 60 outliers final: 0 residues processed: 5579 average time/residue: 1.3353 time to fit residues: 12518.4719 Evaluate side-chains 4806 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4806 time to evaluate : 11.938 ------------------------------------------------------------------------------- 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: 9.9990 chunk 1455 optimal weight: 10.0000 chunk 807 optimal weight: 9.9990 chunk 497 optimal weight: 5.9990 chunk 981 optimal weight: 7.9990 chunk 777 optimal weight: 7.9990 chunk 1504 optimal weight: 3.9990 chunk 582 optimal weight: 9.9990 chunk 915 optimal weight: 9.9990 chunk 1120 optimal weight: 4.9990 chunk 1743 optimal weight: 9.9990 overall best weight: 6.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AI 14 GLN AI 53 HIS AQ 53 HIS BG 53 HIS BK 53 HIS BW 53 HIS CI 53 HIS CM 53 HIS CZ 54 ASN DC 53 HIS EE 53 HIS EM 53 HIS EQ 53 HIS FK 53 HIS FO 53 HIS GI 53 HIS GQ 53 HIS GU 53 HIS HW 53 HIS II 53 HIS IM 53 HIS IY 53 HIS Total number of N/Q/H flips: 22 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8335 moved from start: 0.2797 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.051 142200 Z= 0.427 Angle : 0.630 8.510 191940 Z= 0.344 Chirality : 0.044 0.207 23940 Planarity : 0.003 0.022 24720 Dihedral : 5.206 28.045 20400 Min Nonbonded Distance : 2.090 Molprobity Statistics. All-atom Clashscore : 5.24 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.45 % Favored : 96.55 % Rotamer: Outliers : 2.82 % Allowed : 16.69 % Favored : 80.49 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.50 (0.06), residues: 19140 helix: -0.22 (0.06), residues: 5940 sheet: -0.36 (0.07), residues: 6240 loop : -2.19 (0.06), residues: 6960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.008 0.003 TRPFG 42 HIS 0.004 0.001 HISAQ 9 PHE 0.007 0.001 PHEIE 62 TYR 0.033 0.002 TYRCS 34 ARG 0.006 0.001 ARGFN 66 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5335 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 409 poor density : 4926 time to evaluate : 14.272 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AC 21 ASP cc_start: 0.8005 (t70) cc_final: 0.7641 (t70) REVERT: AC 47 LYS cc_start: 0.8750 (ptmm) cc_final: 0.8514 (pttp) REVERT: AF 18 GLU cc_start: 0.7603 (tp30) cc_final: 0.7270 (tp30) REVERT: AF 49 ASP cc_start: 0.7794 (OUTLIER) cc_final: 0.7540 (t70) REVERT: AH 54 ASN cc_start: 0.8268 (t0) cc_final: 0.7769 (m-40) REVERT: AM 83 ARG cc_start: 0.8325 (ttp-170) cc_final: 0.8123 (ttp-170) REVERT: AO 47 LYS cc_start: 0.8744 (ptmm) cc_final: 0.8501 (pttp) REVERT: AP 9 GLU cc_start: 0.8143 (tt0) cc_final: 0.7900 (tt0) REVERT: AQ 60 GLU cc_start: 0.7202 (mm-30) cc_final: 0.6954 (mp0) REVERT: AQ 84 ASP cc_start: 0.7175 (t70) cc_final: 0.6832 (t0) REVERT: AR 66 ARG cc_start: 0.8033 (ttm-80) cc_final: 0.7589 (mtm-85) REVERT: AT 47 LYS cc_start: 0.8737 (ttpt) cc_final: 0.8448 (ttmm) REVERT: AV 3 GLU cc_start: 0.7443 (mm-30) cc_final: 0.7212 (mm-30) REVERT: AZ 11 LYS cc_start: 0.8381 (tptp) cc_final: 0.8100 (tptp) REVERT: BE 21 ASP cc_start: 0.8083 (t70) cc_final: 0.7879 (t70) REVERT: BE 82 ASP cc_start: 0.7434 (m-30) cc_final: 0.7151 (m-30) REVERT: BG 60 GLU cc_start: 0.7241 (mm-30) cc_final: 0.6966 (mp0) REVERT: BG 84 ASP cc_start: 0.7272 (t70) cc_final: 0.6890 (t0) REVERT: BJ 47 LYS cc_start: 0.8745 (ttpt) cc_final: 0.8434 (ttmm) REVERT: BM 21 ASP cc_start: 0.8197 (t0) cc_final: 0.7971 (t0) REVERT: BM 35 GLU cc_start: 0.7952 (tt0) cc_final: 0.7744 (mt-10) REVERT: BN 47 LYS cc_start: 0.8832 (ttpt) cc_final: 0.8454 (ttmm) REVERT: BO 60 GLU cc_start: 0.7404 (mm-30) cc_final: 0.7109 (mp0) REVERT: BP 3 GLU cc_start: 0.7101 (mt-10) cc_final: 0.6853 (mt-10) REVERT: BP 67 ILE cc_start: 0.8775 (pt) cc_final: 0.8427 (pt) REVERT: BT 54 ASN cc_start: 0.8416 (t0) cc_final: 0.8088 (m-40) REVERT: BW 60 GLU cc_start: 0.7202 (mm-30) cc_final: 0.6972 (mp0) REVERT: BW 84 ASP cc_start: 0.7218 (t70) cc_final: 0.6878 (t0) REVERT: BZ 47 LYS cc_start: 0.8780 (ttpt) cc_final: 0.8477 (ttmm) REVERT: CC 21 ASP cc_start: 0.8138 (t0) cc_final: 0.7886 (t0) REVERT: CD 66 ARG cc_start: 0.7878 (ttp-170) cc_final: 0.7667 (ttm-80) REVERT: CE 79 GLU cc_start: 0.8064 (mt-10) cc_final: 0.7779 (mt-10) REVERT: CF 67 ILE cc_start: 0.8726 (pt) cc_final: 0.8402 (pt) REVERT: CG 65 LYS cc_start: 0.8585 (ttmm) cc_final: 0.8347 (ttpp) REVERT: CI 60 GLU cc_start: 0.7190 (mm-30) cc_final: 0.6969 (mp0) REVERT: CI 84 ASP cc_start: 0.7303 (t70) cc_final: 0.6988 (t0) REVERT: CL 11 LYS cc_start: 0.8337 (tptt) cc_final: 0.8131 (tptp) REVERT: CL 47 LYS cc_start: 0.8746 (ttpt) cc_final: 0.8429 (ttmm) REVERT: CL 54 ASN cc_start: 0.8582 (t0) cc_final: 0.8299 (m-40) REVERT: CN 54 ASN cc_start: 0.8380 (t0) cc_final: 0.8018 (m-40) REVERT: CN 66 ARG cc_start: 0.8108 (ttm-80) cc_final: 0.7517 (mtm-85) REVERT: CQ 38 LYS cc_start: 0.8280 (ttpp) cc_final: 0.7935 (tttm) REVERT: CQ 83 ARG cc_start: 0.8357 (ttp-170) cc_final: 0.8138 (ttp-170) REVERT: CR 54 ASN cc_start: 0.8612 (OUTLIER) cc_final: 0.8336 (m-40) REVERT: CR 65 LYS cc_start: 0.8663 (tttp) cc_final: 0.8401 (mttp) REVERT: CS 21 ASP cc_start: 0.8089 (t70) cc_final: 0.7883 (t70) REVERT: CU 72 MET cc_start: 0.8793 (ttt) cc_final: 0.8514 (ttt) REVERT: CX 47 LYS cc_start: 0.8782 (ttpt) cc_final: 0.8566 (ttmt) REVERT: CY 60 GLU cc_start: 0.7233 (mm-30) cc_final: 0.6947 (mp0) REVERT: CY 84 ASP cc_start: 0.7195 (t70) cc_final: 0.6813 (t0) REVERT: DB 47 LYS cc_start: 0.8750 (ttpt) cc_final: 0.8467 (ttmm) REVERT: DD 49 ASP cc_start: 0.7842 (OUTLIER) cc_final: 0.7543 (t70) REVERT: DG 33 LYS cc_start: 0.8899 (mmtp) cc_final: 0.8698 (mmmt) REVERT: DM 47 LYS cc_start: 0.8756 (ptmm) cc_final: 0.8509 (pttp) REVERT: DM 82 ASP cc_start: 0.7534 (m-30) cc_final: 0.7274 (m-30) REVERT: DP 11 LYS cc_start: 0.8330 (tptp) cc_final: 0.8017 (tptp) REVERT: DP 47 LYS cc_start: 0.8374 (ptmm) cc_final: 0.8171 (ptmm) REVERT: DP 54 ASN cc_start: 0.8601 (t0) cc_final: 0.8383 (m-40) REVERT: DQ 21 ASP cc_start: 0.8175 (t0) cc_final: 0.7947 (t0) REVERT: DR 78 ARG cc_start: 0.8236 (ptp-110) cc_final: 0.8015 (ptp-110) REVERT: DT 54 ASN cc_start: 0.8399 (t0) cc_final: 0.8045 (m-40) REVERT: DV 66 ARG cc_start: 0.7908 (ttm170) cc_final: 0.7665 (ttp-170) REVERT: DX 67 ILE cc_start: 0.8709 (pt) cc_final: 0.8456 (pt) REVERT: EC 21 ASP cc_start: 0.7972 (t70) cc_final: 0.7772 (t70) REVERT: EC 82 ASP cc_start: 0.7364 (m-30) cc_final: 0.7104 (m-30) REVERT: ED 9 GLU cc_start: 0.8165 (tt0) cc_final: 0.7955 (tt0) REVERT: EE 31 ASP cc_start: 0.8414 (p0) cc_final: 0.8136 (p0) REVERT: EE 32 ASP cc_start: 0.7784 (m-30) cc_final: 0.7327 (m-30) REVERT: EF 18 GLU cc_start: 0.7617 (tp30) cc_final: 0.7298 (tp30) REVERT: EF 49 ASP cc_start: 0.7826 (OUTLIER) cc_final: 0.7582 (t0) REVERT: EF 66 ARG cc_start: 0.8073 (ttm-80) cc_final: 0.7596 (mtm-85) REVERT: EK 21 ASP cc_start: 0.8120 (t0) cc_final: 0.7864 (t0) REVERT: EL 66 ARG cc_start: 0.7948 (ttp-170) cc_final: 0.7723 (ttm-80) REVERT: EM 84 ASP cc_start: 0.7163 (t70) cc_final: 0.6756 (t0) REVERT: EQ 18 GLU cc_start: 0.7240 (tt0) cc_final: 0.6984 (tt0) REVERT: ES 47 LYS cc_start: 0.8754 (ptmm) cc_final: 0.8512 (pttp) REVERT: EV 11 LYS cc_start: 0.8361 (tptp) cc_final: 0.8065 (tptp) REVERT: EV 65 LYS cc_start: 0.8685 (tttp) cc_final: 0.8460 (tttp) REVERT: EW 21 ASP cc_start: 0.8192 (t0) cc_final: 0.7968 (t0) REVERT: EZ 54 ASN cc_start: 0.8397 (t0) cc_final: 0.8052 (m-40) REVERT: FC 33 LYS cc_start: 0.8765 (mmmt) cc_final: 0.8556 (mmtt) REVERT: FE 47 LYS cc_start: 0.8567 (ptmm) cc_final: 0.8355 (pttp) REVERT: FF 9 GLU cc_start: 0.8159 (tt0) cc_final: 0.7912 (tt0) REVERT: FG 47 ASN cc_start: 0.8458 (OUTLIER) cc_final: 0.8130 (m-40) REVERT: FG 79 GLU cc_start: 0.7912 (mt-10) cc_final: 0.7597 (mt-10) REVERT: FK 60 GLU cc_start: 0.7204 (mm-30) cc_final: 0.6975 (mp0) REVERT: FK 84 ASP cc_start: 0.7193 (t70) cc_final: 0.6803 (t0) REVERT: FM 47 LYS cc_start: 0.8668 (ptmm) cc_final: 0.8363 (ptmm) REVERT: FN 47 LYS cc_start: 0.8768 (ttpt) cc_final: 0.8459 (ttmm) REVERT: FP 49 ASP cc_start: 0.7758 (OUTLIER) cc_final: 0.7467 (t70) REVERT: FU 21 ASP cc_start: 0.8024 (t70) cc_final: 0.7691 (t70) REVERT: FU 47 LYS cc_start: 0.8749 (ptmm) cc_final: 0.8522 (pttp) REVERT: FV 9 GLU cc_start: 0.8114 (tt0) cc_final: 0.7858 (tt0) REVERT: FW 20 ARG cc_start: 0.8401 (mmt180) cc_final: 0.8090 (mmt180) REVERT: FW 72 MET cc_start: 0.8811 (ttt) cc_final: 0.8541 (ttt) REVERT: FX 3 GLU cc_start: 0.7221 (mt-10) cc_final: 0.7004 (mt-10) REVERT: FY 35 GLU cc_start: 0.7689 (tt0) cc_final: 0.7484 (mt-10) REVERT: GB 54 ASN cc_start: 0.8394 (t0) cc_final: 0.8032 (m-40) REVERT: GB 66 ARG cc_start: 0.7989 (ttm-80) cc_final: 0.7519 (mtm-85) REVERT: GE 60 GLU cc_start: 0.7242 (mm-30) cc_final: 0.7000 (mp0) REVERT: GE 84 ASP cc_start: 0.7210 (t70) cc_final: 0.6885 (t0) REVERT: GH 47 LYS cc_start: 0.8787 (ttpt) cc_final: 0.8463 (ttmm) REVERT: GM 72 MET cc_start: 0.8825 (ttt) cc_final: 0.8523 (ttt) REVERT: GO 65 LYS cc_start: 0.8638 (ttmm) cc_final: 0.8394 (ttpp) REVERT: GR 54 ASN cc_start: 0.8363 (t0) cc_final: 0.8042 (m-40) REVERT: GU 54 ASP cc_start: 0.7265 (m-30) cc_final: 0.7051 (m-30) REVERT: GU 60 GLU cc_start: 0.7199 (mm-30) cc_final: 0.6928 (mp0) REVERT: GU 84 ASP cc_start: 0.7151 (t70) cc_final: 0.6801 (t0) REVERT: GX 47 LYS cc_start: 0.8788 (ttpt) cc_final: 0.8498 (ttmm) REVERT: GX 54 ASN cc_start: 0.8537 (t0) cc_final: 0.8190 (m-40) REVERT: GY 60 GLU cc_start: 0.7317 (mm-30) cc_final: 0.6997 (mp0) REVERT: HA 59 SER cc_start: 0.9189 (t) cc_final: 0.8933 (p) REVERT: HD 11 LYS cc_start: 0.8409 (tptp) cc_final: 0.8104 (tptp) REVERT: HE 65 LYS cc_start: 0.8402 (ttpp) cc_final: 0.8198 (ttpp) REVERT: HG 18 GLU cc_start: 0.7393 (tt0) cc_final: 0.7166 (tt0) REVERT: HI 21 ASP cc_start: 0.8061 (t70) cc_final: 0.7850 (t70) REVERT: HK 84 ASP cc_start: 0.7244 (t70) cc_final: 0.6910 (t0) REVERT: HN 47 LYS cc_start: 0.8742 (ttpt) cc_final: 0.8417 (ttmm) REVERT: HN 54 ASN cc_start: 0.8487 (t0) cc_final: 0.8174 (m-40) REVERT: HO 79 GLU cc_start: 0.7907 (mt-10) cc_final: 0.7671 (mt-10) REVERT: HU 3 GLU cc_start: 0.7641 (mt-10) cc_final: 0.7354 (mt-10) REVERT: HW 40 GLN cc_start: 0.8634 (mm-40) cc_final: 0.8414 (mm-40) REVERT: HW 60 GLU cc_start: 0.7252 (mm-30) cc_final: 0.7029 (mp0) REVERT: HW 84 ASP cc_start: 0.7180 (t70) cc_final: 0.6818 (t0) REVERT: HZ 47 LYS cc_start: 0.8762 (ttpt) cc_final: 0.8432 (ttmm) REVERT: IC 21 ASP cc_start: 0.8098 (t70) cc_final: 0.7878 (t70) REVERT: IC 47 LYS cc_start: 0.8743 (ptmm) cc_final: 0.8492 (pttp) REVERT: IF 47 LYS cc_start: 0.8380 (ptmt) cc_final: 0.8105 (ttpt) REVERT: IF 54 ASN cc_start: 0.8416 (t0) cc_final: 0.8042 (m-40) REVERT: IH 54 ASN cc_start: 0.8310 (t0) cc_final: 0.7913 (m-40) REVERT: IH 66 ARG cc_start: 0.7728 (OUTLIER) cc_final: 0.7236 (ttp-170) REVERT: IJ 47 LYS cc_start: 0.8336 (ptmm) cc_final: 0.8134 (ptmm) REVERT: IM 40 GLN cc_start: 0.8489 (mm-40) cc_final: 0.8248 (mm-40) REVERT: IM 60 GLU cc_start: 0.7216 (mm-30) cc_final: 0.7000 (mp0) REVERT: IM 84 ASP cc_start: 0.7259 (t70) cc_final: 0.6942 (t0) REVERT: IP 47 LYS cc_start: 0.8765 (ttpt) cc_final: 0.8434 (ttmm) REVERT: IQ 18 GLU cc_start: 0.7472 (tt0) cc_final: 0.7271 (tt0) REVERT: IS 21 ASP cc_start: 0.8038 (t70) cc_final: 0.7717 (t70) REVERT: IS 47 LYS cc_start: 0.8743 (ptmm) cc_final: 0.8516 (pttp) REVERT: IT 9 GLU cc_start: 0.8268 (tt0) cc_final: 0.8050 (tt0) REVERT: IW 21 ASP cc_start: 0.8192 (t0) cc_final: 0.7971 (t0) REVERT: IZ 49 ASP cc_start: 0.7810 (OUTLIER) cc_final: 0.7590 (t0) REVERT: IZ 54 ASN cc_start: 0.8365 (t0) cc_final: 0.8013 (m-40) REVERT: IZ 66 ARG cc_start: 0.8163 (ttm-80) cc_final: 0.7680 (mtm-85) REVERT: JC 72 MET cc_start: 0.8809 (ttt) cc_final: 0.8521 (ttt) REVERT: JD 3 GLU cc_start: 0.7418 (mm-30) cc_final: 0.7107 (mm-30) REVERT: JD 67 ILE cc_start: 0.8702 (pt) cc_final: 0.8374 (pt) REVERT: JE 65 LYS cc_start: 0.8454 (ttpp) cc_final: 0.8237 (ttpp) REVERT: JF 9 GLU cc_start: 0.8438 (tt0) cc_final: 0.8162 (tt0) outliers start: 409 outliers final: 263 residues processed: 5051 average time/residue: 1.3092 time to fit residues: 11160.6584 Evaluate side-chains 5008 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 271 poor density : 4737 time to evaluate : 10.676 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 32 ASP Chi-restraints excluded: chain AB residue 39 SER Chi-restraints excluded: chain AD residue 59 SER Chi-restraints excluded: chain AE residue 30 LEU Chi-restraints excluded: chain AF residue 11 LYS Chi-restraints excluded: chain AF residue 39 SER Chi-restraints excluded: chain AF residue 47 LYS Chi-restraints excluded: chain AF residue 49 ASP Chi-restraints excluded: chain AF residue 81 ASN Chi-restraints excluded: chain AG residue 67 ILE Chi-restraints excluded: chain AI residue 17 ASP Chi-restraints excluded: chain AI residue 32 ASP Chi-restraints excluded: chain AI residue 47 ASN Chi-restraints excluded: chain AK residue 30 GLU Chi-restraints excluded: chain AM residue 30 LEU Chi-restraints excluded: chain AM residue 32 ASP Chi-restraints excluded: chain AN residue 39 SER Chi-restraints excluded: chain AO residue 82 ASP Chi-restraints excluded: chain AP residue 59 SER Chi-restraints excluded: chain AR residue 3 GLU Chi-restraints excluded: chain AR residue 39 SER Chi-restraints excluded: chain AR residue 81 ASN Chi-restraints excluded: chain AS residue 67 ILE Chi-restraints excluded: chain AT residue 59 SER Chi-restraints excluded: chain AT residue 67 ILE Chi-restraints excluded: chain AT residue 73 SER Chi-restraints excluded: chain AV residue 61 VAL Chi-restraints excluded: chain AW residue 67 ILE Chi-restraints excluded: chain AX residue 59 SER Chi-restraints excluded: chain AY residue 47 ASN Chi-restraints excluded: chain AZ residue 39 SER Chi-restraints excluded: chain BA residue 30 GLU Chi-restraints excluded: chain BA residue 47 LYS Chi-restraints excluded: chain BB residue 35 GLU Chi-restraints excluded: chain BC residue 32 ASP Chi-restraints excluded: chain BC residue 80 LYS Chi-restraints excluded: chain BD residue 39 SER Chi-restraints excluded: chain BF residue 59 SER Chi-restraints excluded: chain BH residue 59 SER Chi-restraints excluded: chain BH residue 81 ASN Chi-restraints excluded: chain BI residue 30 GLU Chi-restraints excluded: chain BI residue 67 ILE Chi-restraints excluded: chain BK residue 32 ASP Chi-restraints excluded: chain BK residue 47 ASN Chi-restraints excluded: chain BM residue 30 GLU Chi-restraints excluded: chain BM residue 45 MET Chi-restraints excluded: chain BM residue 47 LYS Chi-restraints excluded: chain BN residue 35 GLU Chi-restraints excluded: chain BN residue 59 SER Chi-restraints excluded: chain BN residue 67 ILE Chi-restraints excluded: chain BP residue 39 SER Chi-restraints excluded: chain BP residue 65 LYS Chi-restraints excluded: chain BQ residue 67 ILE Chi-restraints excluded: chain BR residue 59 SER Chi-restraints excluded: chain BS residue 30 LEU Chi-restraints excluded: chain BT residue 39 SER Chi-restraints excluded: chain BT residue 45 MET Chi-restraints excluded: chain BW residue 47 ASN Chi-restraints excluded: chain BX residue 59 SER Chi-restraints excluded: chain BX residue 82 ASP Chi-restraints excluded: chain BY residue 30 GLU Chi-restraints excluded: chain BY residue 67 ILE Chi-restraints excluded: chain BZ residue 59 SER Chi-restraints excluded: chain CA residue 47 ASN Chi-restraints excluded: chain CB residue 39 SER Chi-restraints excluded: chain CC residue 30 GLU Chi-restraints excluded: chain CD residue 67 ILE Chi-restraints excluded: chain CF residue 39 SER Chi-restraints excluded: chain CF residue 47 LYS Chi-restraints excluded: chain CF residue 65 LYS Chi-restraints excluded: chain CG residue 59 SER Chi-restraints excluded: chain CG residue 67 ILE Chi-restraints excluded: chain CH residue 59 SER Chi-restraints excluded: chain CJ residue 3 GLU Chi-restraints excluded: chain CJ residue 59 SER Chi-restraints excluded: chain CJ residue 81 ASN Chi-restraints excluded: chain CK residue 30 GLU Chi-restraints excluded: chain CK residue 67 ILE Chi-restraints excluded: chain CL residue 67 ILE Chi-restraints excluded: chain CL residue 73 SER Chi-restraints excluded: chain CM residue 30 LEU Chi-restraints excluded: chain CM residue 38 LYS Chi-restraints excluded: chain CN residue 47 LYS Chi-restraints excluded: chain CN residue 65 LYS Chi-restraints excluded: chain CO residue 67 ILE Chi-restraints excluded: chain CQ residue 32 ASP Chi-restraints excluded: chain CR residue 39 SER Chi-restraints excluded: chain CR residue 54 ASN Chi-restraints excluded: chain CS residue 3 GLU Chi-restraints excluded: chain CT residue 59 SER Chi-restraints excluded: chain CW residue 67 ILE Chi-restraints excluded: chain CX residue 59 SER Chi-restraints excluded: chain CY residue 47 ASN Chi-restraints excluded: chain CZ residue 59 SER Chi-restraints excluded: chain DB residue 59 SER Chi-restraints excluded: chain DB residue 67 ILE Chi-restraints excluded: chain DB residue 73 SER Chi-restraints excluded: chain DB residue 86 ILE Chi-restraints excluded: chain DC residue 30 LEU Chi-restraints excluded: chain DD residue 47 LYS Chi-restraints excluded: chain DD residue 49 ASP Chi-restraints excluded: chain DD residue 81 ASN Chi-restraints excluded: chain DE residue 67 ILE Chi-restraints excluded: chain DF residue 59 SER Chi-restraints excluded: chain DH residue 65 LYS Chi-restraints excluded: chain DH residue 81 ASN Chi-restraints excluded: chain DI residue 67 ILE Chi-restraints excluded: chain DL residue 39 SER Chi-restraints excluded: chain DN residue 59 SER Chi-restraints excluded: chain DO residue 47 ASN Chi-restraints excluded: chain DQ residue 30 GLU Chi-restraints excluded: chain DQ residue 47 LYS Chi-restraints excluded: chain DR residue 59 SER Chi-restraints excluded: chain DS residue 30 LEU Chi-restraints excluded: chain DT residue 45 MET Chi-restraints excluded: chain DT residue 47 LYS Chi-restraints excluded: chain DY residue 67 ILE Chi-restraints excluded: chain DZ residue 59 SER Chi-restraints excluded: chain EA residue 80 LYS Chi-restraints excluded: chain EB residue 39 SER Chi-restraints excluded: chain ED residue 59 SER Chi-restraints excluded: chain EE residue 30 LEU Chi-restraints excluded: chain EF residue 47 LYS Chi-restraints excluded: chain EF residue 49 ASP Chi-restraints excluded: chain EF residue 81 ASN Chi-restraints excluded: chain EF residue 82 ASP Chi-restraints excluded: chain EG residue 67 ILE Chi-restraints excluded: chain EJ residue 39 SER Chi-restraints excluded: chain EK residue 30 GLU Chi-restraints excluded: chain EK residue 47 LYS Chi-restraints excluded: chain EL residue 67 ILE Chi-restraints excluded: chain EM residue 32 ASP Chi-restraints excluded: chain EO residue 30 GLU Chi-restraints excluded: chain EO residue 67 ILE Chi-restraints excluded: chain EP residue 3 GLU Chi-restraints excluded: chain EP residue 59 SER Chi-restraints excluded: chain EP residue 67 ILE Chi-restraints excluded: chain ER residue 39 SER Chi-restraints excluded: chain ET residue 59 SER Chi-restraints excluded: chain EW residue 30 GLU Chi-restraints excluded: chain EW residue 47 LYS Chi-restraints excluded: chain EY residue 30 LEU Chi-restraints excluded: chain EZ residue 45 MET Chi-restraints excluded: chain EZ residue 47 LYS Chi-restraints excluded: chain EZ residue 65 LYS Chi-restraints excluded: chain FB residue 59 SER Chi-restraints excluded: chain FD residue 39 SER Chi-restraints excluded: chain FF residue 59 SER Chi-restraints excluded: chain FG residue 16 CYS Chi-restraints excluded: chain FG residue 47 ASN Chi-restraints excluded: chain FH residue 39 SER Chi-restraints excluded: chain FH residue 65 LYS Chi-restraints excluded: chain FH residue 81 ASN Chi-restraints excluded: chain FL residue 3 GLU Chi-restraints excluded: chain FL residue 49 ASP Chi-restraints excluded: chain FL residue 81 ASN Chi-restraints excluded: chain FM residue 30 GLU Chi-restraints excluded: chain FM residue 67 ILE Chi-restraints excluded: chain FM residue 72 SER Chi-restraints excluded: chain FN residue 59 SER Chi-restraints excluded: chain FN residue 65 LYS Chi-restraints excluded: chain FN residue 67 ILE Chi-restraints excluded: chain FN residue 73 SER Chi-restraints excluded: chain FO residue 30 LEU Chi-restraints excluded: chain FP residue 47 LYS Chi-restraints excluded: chain FP residue 49 ASP Chi-restraints excluded: chain FQ residue 67 ILE Chi-restraints excluded: chain FT residue 39 SER Chi-restraints excluded: chain FV residue 59 SER Chi-restraints excluded: chain FX residue 39 SER Chi-restraints excluded: chain FX residue 61 VAL Chi-restraints excluded: chain FY residue 67 ILE Chi-restraints excluded: chain FZ residue 59 SER Chi-restraints excluded: chain GA residue 30 LEU Chi-restraints excluded: chain GC residue 67 ILE Chi-restraints excluded: chain GF residue 3 GLU Chi-restraints excluded: chain GF residue 39 SER Chi-restraints excluded: chain GF residue 81 ASN Chi-restraints excluded: chain GG residue 30 GLU Chi-restraints excluded: chain GG residue 67 ILE Chi-restraints excluded: chain GJ residue 17 ILE Chi-restraints excluded: chain GJ residue 39 SER Chi-restraints excluded: chain GK residue 30 GLU Chi-restraints excluded: chain GL residue 35 GLU Chi-restraints excluded: chain GN residue 39 SER Chi-restraints excluded: chain GN residue 47 LYS Chi-restraints excluded: chain GN residue 81 ASN Chi-restraints excluded: chain GO residue 67 ILE Chi-restraints excluded: chain GP residue 59 SER Chi-restraints excluded: chain GQ residue 16 CYS Chi-restraints excluded: chain GQ residue 30 LEU Chi-restraints excluded: chain GQ residue 47 ASN Chi-restraints excluded: chain GR residue 45 MET Chi-restraints excluded: chain GR residue 65 LYS Chi-restraints excluded: chain GR residue 81 ASN Chi-restraints excluded: chain GR residue 82 ASP Chi-restraints excluded: chain GS residue 67 ILE Chi-restraints excluded: chain GV residue 47 LYS Chi-restraints excluded: chain GW residue 30 GLU Chi-restraints excluded: chain GW residue 67 ILE Chi-restraints excluded: chain GX residue 59 SER Chi-restraints excluded: chain GZ residue 47 LYS Chi-restraints excluded: chain GZ residue 65 LYS Chi-restraints excluded: chain HA residue 67 ILE Chi-restraints excluded: chain HB residue 59 SER Chi-restraints excluded: chain HC residue 17 ASP Chi-restraints excluded: chain HD residue 39 SER Chi-restraints excluded: chain HE residue 30 GLU Chi-restraints excluded: chain HE residue 47 LYS Chi-restraints excluded: chain HF residue 59 SER Chi-restraints excluded: chain HG residue 32 ASP Chi-restraints excluded: chain HG residue 80 LYS Chi-restraints excluded: chain HH residue 39 SER Chi-restraints excluded: chain HI residue 82 ASP Chi-restraints excluded: chain HJ residue 59 SER Chi-restraints excluded: chain HK residue 47 ASN Chi-restraints excluded: chain HK residue 52 MET Chi-restraints excluded: chain HL residue 3 GLU Chi-restraints excluded: chain HL residue 39 SER Chi-restraints excluded: chain HL residue 47 LYS Chi-restraints excluded: chain HL residue 81 ASN Chi-restraints excluded: chain HM residue 67 ILE Chi-restraints excluded: chain HM residue 72 SER Chi-restraints excluded: chain HN residue 59 SER Chi-restraints excluded: chain HN residue 67 ILE Chi-restraints excluded: chain HN residue 73 SER Chi-restraints excluded: chain HN residue 86 ILE Chi-restraints excluded: chain HP residue 65 LYS Chi-restraints excluded: chain HP residue 66 ARG Chi-restraints excluded: chain HS residue 32 ASP Chi-restraints excluded: chain HU residue 30 GLU Chi-restraints excluded: chain HU residue 47 LYS Chi-restraints excluded: chain HX residue 3 GLU Chi-restraints excluded: chain HX residue 81 ASN Chi-restraints excluded: chain HY residue 30 GLU Chi-restraints excluded: chain HY residue 67 ILE Chi-restraints excluded: chain HZ residue 3 GLU Chi-restraints excluded: chain HZ residue 59 SER Chi-restraints excluded: chain HZ residue 73 SER Chi-restraints excluded: chain IA residue 32 ASP Chi-restraints excluded: chain IB residue 39 SER Chi-restraints excluded: chain ID residue 59 SER Chi-restraints excluded: chain IE residue 30 LEU Chi-restraints excluded: chain IF residue 39 SER Chi-restraints excluded: chain IG residue 67 ILE Chi-restraints excluded: chain IH residue 66 ARG Chi-restraints excluded: chain IK residue 30 GLU Chi-restraints excluded: chain IN residue 3 GLU Chi-restraints excluded: chain IO residue 67 ILE Chi-restraints excluded: chain IR residue 39 SER Chi-restraints excluded: chain IT residue 59 SER Chi-restraints excluded: chain IU residue 47 ASN Chi-restraints excluded: chain IV residue 39 SER Chi-restraints excluded: chain IW residue 30 GLU Chi-restraints excluded: chain IW residue 47 LYS Chi-restraints excluded: chain IX residue 35 GLU Chi-restraints excluded: chain IX residue 67 ILE Chi-restraints excluded: chain IY residue 30 LEU Chi-restraints excluded: chain IZ residue 45 MET Chi-restraints excluded: chain IZ residue 49 ASP Chi-restraints excluded: chain IZ residue 65 LYS Chi-restraints excluded: chain IZ residue 81 ASN Chi-restraints excluded: chain IZ residue 82 ASP Chi-restraints excluded: chain JA residue 67 ILE Chi-restraints excluded: chain JD residue 59 SER Chi-restraints excluded: chain JD residue 65 LYS Chi-restraints excluded: chain JD residue 81 ASN Chi-restraints excluded: chain JE residue 67 ILE Chi-restraints excluded: chain JE residue 73 SER Chi-restraints excluded: chain JF residue 59 SER Chi-restraints excluded: chain JF residue 72 SER Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 968 optimal weight: 0.0870 chunk 541 optimal weight: 4.9990 chunk 1451 optimal weight: 9.9990 chunk 1187 optimal weight: 8.9990 chunk 480 optimal weight: 5.9990 chunk 1746 optimal weight: 0.9990 chunk 1886 optimal weight: 6.9990 chunk 1555 optimal weight: 6.9990 chunk 1732 optimal weight: 6.9990 chunk 595 optimal weight: 10.0000 chunk 1401 optimal weight: 7.9990 overall best weight: 3.8166 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AA 53 HIS BC 53 HIS EA 53 HIS HO 53 HIS IG 81 ASN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8307 moved from start: 0.3254 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.032 142200 Z= 0.276 Angle : 0.534 8.937 191940 Z= 0.294 Chirality : 0.041 0.159 23940 Planarity : 0.002 0.023 24720 Dihedral : 4.862 27.976 20400 Min Nonbonded Distance : 2.138 Molprobity Statistics. All-atom Clashscore : 4.75 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.78 % Favored : 97.22 % Rotamer: Outliers : 3.21 % Allowed : 20.54 % Favored : 76.25 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.57 (0.06), residues: 19140 helix: 0.97 (0.07), residues: 5940 sheet: 0.11 (0.07), residues: 6240 loop : -2.03 (0.06), residues: 6960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.002 TRPFG 42 HIS 0.003 0.001 HISHW 9 PHE 0.005 0.001 PHEDG 62 TYR 0.019 0.001 TYREO 34 ARG 0.005 0.000 ARGBF 78 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5339 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 466 poor density : 4873 time to evaluate : 12.127 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AB 3 GLU cc_start: 0.7643 (mm-30) cc_final: 0.7402 (mm-30) REVERT: AC 47 LYS cc_start: 0.8738 (ptmm) cc_final: 0.8427 (pttp) REVERT: AF 66 ARG cc_start: 0.8316 (ttm-80) cc_final: 0.7930 (mtm-85) REVERT: AH 54 ASN cc_start: 0.8204 (t0) cc_final: 0.7720 (m-40) REVERT: AH 65 LYS cc_start: 0.8703 (ttmm) cc_final: 0.8500 (ttmt) REVERT: AJ 54 ASN cc_start: 0.8517 (t0) cc_final: 0.8280 (m-40) REVERT: AM 83 ARG cc_start: 0.8307 (ttp-170) cc_final: 0.8096 (ttp-170) REVERT: AN 3 GLU cc_start: 0.7658 (mm-30) cc_final: 0.7426 (mm-30) REVERT: AO 47 LYS cc_start: 0.8680 (ptmm) cc_final: 0.8393 (pttp) REVERT: AP 9 GLU cc_start: 0.8214 (tt0) cc_final: 0.7916 (tt0) REVERT: AQ 60 GLU cc_start: 0.7110 (mm-30) cc_final: 0.6802 (mp0) REVERT: AQ 84 ASP cc_start: 0.7097 (t70) cc_final: 0.6829 (t0) REVERT: AR 66 ARG cc_start: 0.8037 (ttm-80) cc_final: 0.7693 (mtm180) REVERT: AT 47 LYS cc_start: 0.8734 (ttpt) cc_final: 0.8432 (ttmm) REVERT: AT 54 ASN cc_start: 0.8562 (t0) cc_final: 0.8336 (m-40) REVERT: AV 3 GLU cc_start: 0.7596 (mm-30) cc_final: 0.7175 (mm-30) REVERT: AW 65 LYS cc_start: 0.8621 (ttmm) cc_final: 0.8256 (ttpp) REVERT: AZ 54 ASN cc_start: 0.8571 (t0) cc_final: 0.8288 (m-40) REVERT: BD 3 GLU cc_start: 0.7637 (mm-30) cc_final: 0.7404 (mm-30) REVERT: BE 82 ASP cc_start: 0.7418 (m-30) cc_final: 0.7124 (m-30) REVERT: BF 74 ARG cc_start: 0.7452 (tpt170) cc_final: 0.7252 (tpt90) REVERT: BG 60 GLU cc_start: 0.7129 (mm-30) cc_final: 0.6813 (mp0) REVERT: BG 84 ASP cc_start: 0.7170 (t70) cc_final: 0.6874 (t0) REVERT: BJ 47 LYS cc_start: 0.8740 (ttpt) cc_final: 0.8455 (ttmm) REVERT: BJ 66 ARG cc_start: 0.7456 (ttp-170) cc_final: 0.7157 (ttp-170) REVERT: BJ 86 ILE cc_start: 0.8072 (mm) cc_final: 0.7298 (mm) REVERT: BL 54 ASN cc_start: 0.8518 (t0) cc_final: 0.8259 (m-40) REVERT: BM 3 GLU cc_start: 0.7577 (mt-10) cc_final: 0.7357 (mt-10) REVERT: BM 71 VAL cc_start: 0.9393 (t) cc_final: 0.9191 (t) REVERT: BN 47 LYS cc_start: 0.8829 (ttpt) cc_final: 0.8441 (tttp) REVERT: BO 60 GLU cc_start: 0.7336 (mm-30) cc_final: 0.7016 (mp0) REVERT: BP 67 ILE cc_start: 0.8815 (pt) cc_final: 0.8477 (pt) REVERT: BQ 65 LYS cc_start: 0.8622 (ttmm) cc_final: 0.8369 (ttpp) REVERT: BW 40 GLN cc_start: 0.8552 (mm-40) cc_final: 0.8319 (mm-40) REVERT: BW 60 GLU cc_start: 0.7051 (mm-30) cc_final: 0.6744 (mp0) REVERT: BW 84 ASP cc_start: 0.7201 (t70) cc_final: 0.6914 (t0) REVERT: BY 35 GLU cc_start: 0.7886 (tt0) cc_final: 0.7645 (mt-10) REVERT: BZ 47 LYS cc_start: 0.8761 (ttpt) cc_final: 0.8465 (ttmm) REVERT: BZ 86 ILE cc_start: 0.7816 (mm) cc_final: 0.7271 (mt) REVERT: CA 47 ASN cc_start: 0.8672 (OUTLIER) cc_final: 0.8334 (m-40) REVERT: CB 54 ASN cc_start: 0.8493 (t0) cc_final: 0.8248 (m-40) REVERT: CC 71 VAL cc_start: 0.9381 (t) cc_final: 0.9181 (t) REVERT: CE 79 GLU cc_start: 0.7964 (mt-10) cc_final: 0.7674 (mt-10) REVERT: CF 67 ILE cc_start: 0.8718 (pt) cc_final: 0.8420 (pt) REVERT: CG 65 LYS cc_start: 0.8569 (ttmm) cc_final: 0.8357 (ttpp) REVERT: CH 78 ARG cc_start: 0.8163 (ttm-80) cc_final: 0.7950 (mtm-85) REVERT: CI 60 GLU cc_start: 0.7094 (mm-30) cc_final: 0.6773 (mp0) REVERT: CI 84 ASP cc_start: 0.7183 (t70) cc_final: 0.6909 (t0) REVERT: CL 47 LYS cc_start: 0.8748 (ttpt) cc_final: 0.8476 (ttmt) REVERT: CN 66 ARG cc_start: 0.8073 (ttm-80) cc_final: 0.7754 (mtm-85) REVERT: CQ 38 LYS cc_start: 0.8390 (ttpp) cc_final: 0.8162 (tttm) REVERT: CQ 83 ARG cc_start: 0.8328 (ttp-170) cc_final: 0.8119 (ttp-170) REVERT: CR 3 GLU cc_start: 0.7612 (mm-30) cc_final: 0.7373 (mm-30) REVERT: CR 65 LYS cc_start: 0.8649 (tttp) cc_final: 0.8420 (mttm) REVERT: CU 72 MET cc_start: 0.8819 (ttt) cc_final: 0.8505 (ttt) REVERT: CW 65 LYS cc_start: 0.8597 (ttmm) cc_final: 0.8321 (ttpp) REVERT: CY 60 GLU cc_start: 0.7147 (mm-30) cc_final: 0.6832 (mp0) REVERT: CY 84 ASP cc_start: 0.7245 (t70) cc_final: 0.6909 (t0) REVERT: CZ 66 ARG cc_start: 0.7944 (ttm110) cc_final: 0.7507 (mtm180) REVERT: DB 47 LYS cc_start: 0.8739 (ttpt) cc_final: 0.8433 (ttmm) REVERT: DB 54 ASN cc_start: 0.8564 (t0) cc_final: 0.8355 (m-40) REVERT: DB 65 LYS cc_start: 0.8717 (ttmm) cc_final: 0.8506 (ttmm) REVERT: DF 45 MET cc_start: 0.7970 (mtt) cc_final: 0.7702 (mtt) REVERT: DF 54 ASN cc_start: 0.8299 (OUTLIER) cc_final: 0.8092 (m-40) REVERT: DL 3 GLU cc_start: 0.7591 (mm-30) cc_final: 0.7377 (mm-30) REVERT: DM 47 LYS cc_start: 0.8702 (ptmm) cc_final: 0.8407 (pttp) REVERT: DM 82 ASP cc_start: 0.7619 (m-30) cc_final: 0.7370 (m-30) REVERT: DP 11 LYS cc_start: 0.8273 (tptp) cc_final: 0.7992 (tptp) REVERT: DP 47 LYS cc_start: 0.8337 (ptmm) cc_final: 0.8124 (ptmm) REVERT: DP 54 ASN cc_start: 0.8557 (t0) cc_final: 0.8233 (m-40) REVERT: DT 10 THR cc_start: 0.8860 (p) cc_final: 0.8630 (m) REVERT: DV 66 ARG cc_start: 0.7743 (ttm170) cc_final: 0.7341 (ttp-170) REVERT: DX 67 ILE cc_start: 0.8691 (pt) cc_final: 0.8373 (pt) REVERT: DY 65 LYS cc_start: 0.8484 (ttpp) cc_final: 0.8174 (ttpp) REVERT: EC 82 ASP cc_start: 0.7392 (m-30) cc_final: 0.7085 (m-30) REVERT: ED 9 GLU cc_start: 0.8165 (tt0) cc_final: 0.7954 (tt0) REVERT: EE 31 ASP cc_start: 0.8351 (p0) cc_final: 0.8089 (p0) REVERT: EE 32 ASP cc_start: 0.7810 (m-30) cc_final: 0.7371 (m-30) REVERT: EF 10 THR cc_start: 0.8838 (p) cc_final: 0.8612 (m) REVERT: EF 66 ARG cc_start: 0.8083 (ttm-80) cc_final: 0.7617 (mtm-85) REVERT: EJ 54 ASN cc_start: 0.8500 (t0) cc_final: 0.8267 (m-40) REVERT: EK 82 ASP cc_start: 0.7296 (m-30) cc_final: 0.7002 (m-30) REVERT: EL 54 ASN cc_start: 0.8203 (OUTLIER) cc_final: 0.8002 (m-40) REVERT: EM 84 ASP cc_start: 0.7262 (t70) cc_final: 0.6937 (t0) REVERT: EP 65 LYS cc_start: 0.8694 (ttmm) cc_final: 0.8482 (ttmm) REVERT: EQ 18 GLU cc_start: 0.7304 (tt0) cc_final: 0.7097 (tt0) REVERT: EQ 38 LYS cc_start: 0.8362 (ttpp) cc_final: 0.8125 (tttm) REVERT: ER 3 GLU cc_start: 0.7650 (mm-30) cc_final: 0.7417 (mm-30) REVERT: ES 47 LYS cc_start: 0.8688 (ptmm) cc_final: 0.8395 (pttp) REVERT: EV 11 LYS cc_start: 0.8276 (tptp) cc_final: 0.7996 (tptp) REVERT: EV 54 ASN cc_start: 0.8567 (t0) cc_final: 0.8302 (m-40) REVERT: EW 71 VAL cc_start: 0.9385 (t) cc_final: 0.9164 (t) REVERT: EZ 10 THR cc_start: 0.8893 (p) cc_final: 0.8635 (m) REVERT: EZ 65 LYS cc_start: 0.8595 (OUTLIER) cc_final: 0.8362 (mttp) REVERT: EZ 66 ARG cc_start: 0.8223 (ttm110) cc_final: 0.7842 (mtm-85) REVERT: FD 3 GLU cc_start: 0.7664 (mm-30) cc_final: 0.7415 (mm-30) REVERT: FF 9 GLU cc_start: 0.8166 (tt0) cc_final: 0.7834 (tt0) REVERT: FG 47 ASN cc_start: 0.8434 (OUTLIER) cc_final: 0.8180 (m-40) REVERT: FK 40 GLN cc_start: 0.8604 (mm-40) cc_final: 0.8392 (mm-40) REVERT: FK 60 GLU cc_start: 0.7136 (mm-30) cc_final: 0.6838 (mp0) REVERT: FK 84 ASP cc_start: 0.7167 (t70) cc_final: 0.6861 (t0) REVERT: FM 35 GLU cc_start: 0.7843 (tt0) cc_final: 0.7610 (mt-10) REVERT: FM 47 LYS cc_start: 0.8610 (ptmm) cc_final: 0.8331 (ptmm) REVERT: FN 47 LYS cc_start: 0.8812 (ttpt) cc_final: 0.8529 (ttmt) REVERT: FS 38 LYS cc_start: 0.8359 (ttpp) cc_final: 0.8094 (tttm) REVERT: FT 3 GLU cc_start: 0.7644 (mm-30) cc_final: 0.7400 (mm-30) REVERT: FU 47 LYS cc_start: 0.8694 (ptmm) cc_final: 0.8433 (pttp) REVERT: FV 9 GLU cc_start: 0.8166 (tt0) cc_final: 0.7872 (tt0) REVERT: FX 66 ARG cc_start: 0.8066 (ttm110) cc_final: 0.7834 (mtm-85) REVERT: FY 65 LYS cc_start: 0.8601 (ttmm) cc_final: 0.8311 (ttpp) REVERT: GB 66 ARG cc_start: 0.7950 (ttm-80) cc_final: 0.7556 (mtm-85) REVERT: GE 60 GLU cc_start: 0.7114 (mm-30) cc_final: 0.6778 (mp0) REVERT: GE 84 ASP cc_start: 0.7115 (t70) cc_final: 0.6863 (t0) REVERT: GG 35 GLU cc_start: 0.7878 (tt0) cc_final: 0.7622 (mt-10) REVERT: GH 47 LYS cc_start: 0.8762 (ttpt) cc_final: 0.8486 (ttmt) REVERT: GI 30 LEU cc_start: 0.9185 (pp) cc_final: 0.8950 (pp) REVERT: GJ 11 LYS cc_start: 0.8327 (tptp) cc_final: 0.8076 (tptp) REVERT: GJ 54 ASN cc_start: 0.8459 (t0) cc_final: 0.8209 (m-40) REVERT: GK 71 VAL cc_start: 0.9428 (t) cc_final: 0.9220 (t) REVERT: GM 72 MET cc_start: 0.8811 (ttt) cc_final: 0.8534 (ttt) REVERT: GO 65 LYS cc_start: 0.8552 (ttmm) cc_final: 0.8318 (ttpp) REVERT: GO 82 ASP cc_start: 0.7467 (m-30) cc_final: 0.7240 (m-30) REVERT: GQ 47 ASN cc_start: 0.8712 (OUTLIER) cc_final: 0.8471 (m110) REVERT: GR 65 LYS cc_start: 0.8636 (OUTLIER) cc_final: 0.8269 (mttp) REVERT: GT 66 ARG cc_start: 0.7819 (ttp-170) cc_final: 0.7607 (mtm-85) REVERT: GU 60 GLU cc_start: 0.7015 (mm-30) cc_final: 0.6668 (mp0) REVERT: GU 84 ASP cc_start: 0.7211 (t70) cc_final: 0.6937 (t0) REVERT: GW 35 GLU cc_start: 0.7867 (tt0) cc_final: 0.7582 (mt-10) REVERT: GX 47 LYS cc_start: 0.8753 (ttpt) cc_final: 0.8444 (ttmm) REVERT: GX 54 ASN cc_start: 0.8541 (t0) cc_final: 0.8307 (m-40) REVERT: GX 86 ILE cc_start: 0.7789 (mm) cc_final: 0.7408 (mt) REVERT: HA 65 LYS cc_start: 0.8598 (ttmm) cc_final: 0.8328 (ttpp) REVERT: HD 11 LYS cc_start: 0.8306 (tptp) cc_final: 0.8007 (tptp) REVERT: HD 54 ASN cc_start: 0.8538 (t0) cc_final: 0.8285 (m-40) REVERT: HE 65 LYS cc_start: 0.8475 (ttpp) cc_final: 0.8252 (ttpp) REVERT: HH 3 GLU cc_start: 0.7645 (mm-30) cc_final: 0.7438 (mm-30) REVERT: HH 66 ARG cc_start: 0.7854 (mtm-85) cc_final: 0.7601 (mtm-85) REVERT: HJ 54 ASN cc_start: 0.8629 (t0) cc_final: 0.8371 (m-40) REVERT: HK 84 ASP cc_start: 0.7138 (t70) cc_final: 0.6849 (t0) REVERT: HN 47 LYS cc_start: 0.8736 (ttpt) cc_final: 0.8441 (ttmm) REVERT: HN 66 ARG cc_start: 0.7842 (ttm170) cc_final: 0.7561 (ttp-170) REVERT: HO 52 MET cc_start: 0.8288 (mmm) cc_final: 0.8070 (mmm) REVERT: HO 79 GLU cc_start: 0.7942 (mt-10) cc_final: 0.7638 (mt-10) REVERT: HT 11 LYS cc_start: 0.8276 (tptp) cc_final: 0.7994 (tptp) REVERT: HT 54 ASN cc_start: 0.8567 (t0) cc_final: 0.8288 (m-40) REVERT: HU 3 GLU cc_start: 0.7529 (mt-10) cc_final: 0.7235 (mt-10) REVERT: HW 40 GLN cc_start: 0.8521 (mm-40) cc_final: 0.8302 (mm-40) REVERT: HW 60 GLU cc_start: 0.7127 (mm-30) cc_final: 0.6807 (mp0) REVERT: HW 84 ASP cc_start: 0.7170 (t70) cc_final: 0.6867 (t0) REVERT: HZ 47 LYS cc_start: 0.8787 (ttpt) cc_final: 0.8501 (ttmt) REVERT: HZ 86 ILE cc_start: 0.8006 (mm) cc_final: 0.7350 (mm) REVERT: IA 18 GLU cc_start: 0.7346 (tt0) cc_final: 0.7141 (tt0) REVERT: IB 3 GLU cc_start: 0.7662 (mm-30) cc_final: 0.7416 (mm-30) REVERT: IC 47 LYS cc_start: 0.8697 (ptmm) cc_final: 0.8441 (pttp) REVERT: IF 30 GLU cc_start: 0.7499 (OUTLIER) cc_final: 0.7219 (pp20) REVERT: IF 47 LYS cc_start: 0.8296 (ptmt) cc_final: 0.8017 (ttpt) REVERT: IH 54 ASN cc_start: 0.8174 (t0) cc_final: 0.7768 (m-40) REVERT: IH 65 LYS cc_start: 0.8752 (ttmm) cc_final: 0.8538 (ttmm) REVERT: IH 66 ARG cc_start: 0.7827 (OUTLIER) cc_final: 0.7362 (ttp-170) REVERT: IJ 54 ASN cc_start: 0.8581 (t0) cc_final: 0.8269 (m-40) REVERT: IK 71 VAL cc_start: 0.9356 (t) cc_final: 0.9133 (t) REVERT: IM 60 GLU cc_start: 0.7133 (mm-30) cc_final: 0.6807 (mp0) REVERT: IM 84 ASP cc_start: 0.7185 (t70) cc_final: 0.6911 (t0) REVERT: IP 47 LYS cc_start: 0.8771 (ttpt) cc_final: 0.8465 (ttmt) REVERT: IR 3 GLU cc_start: 0.7645 (mm-30) cc_final: 0.7422 (mm-30) REVERT: IS 47 LYS cc_start: 0.8705 (ptmm) cc_final: 0.8422 (pttp) REVERT: IT 9 GLU cc_start: 0.8253 (tt0) cc_final: 0.7959 (tt0) REVERT: IV 54 ASN cc_start: 0.8539 (t0) cc_final: 0.8273 (m-40) REVERT: IW 71 VAL cc_start: 0.9402 (t) cc_final: 0.9195 (t) REVERT: IZ 49 ASP cc_start: 0.7825 (OUTLIER) cc_final: 0.7571 (t0) REVERT: IZ 66 ARG cc_start: 0.8043 (ttm-80) cc_final: 0.7632 (mtm-85) REVERT: JB 54 ASN cc_start: 0.8296 (OUTLIER) cc_final: 0.8095 (m-40) REVERT: JD 3 GLU cc_start: 0.7468 (mm-30) cc_final: 0.7177 (mm-30) REVERT: JD 67 ILE cc_start: 0.8691 (pt) cc_final: 0.8369 (pt) REVERT: JF 9 GLU cc_start: 0.8417 (tt0) cc_final: 0.8168 (tt0) outliers start: 466 outliers final: 321 residues processed: 5004 average time/residue: 1.3398 time to fit residues: 11364.5140 Evaluate side-chains 5050 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 332 poor density : 4718 time to evaluate : 11.088 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 32 ASP Chi-restraints excluded: chain AB residue 39 SER Chi-restraints excluded: chain AB residue 47 LYS Chi-restraints excluded: chain AD residue 59 SER Chi-restraints excluded: chain AE residue 30 LEU Chi-restraints excluded: chain AE residue 32 ASP Chi-restraints excluded: chain AF residue 39 SER Chi-restraints excluded: chain AF residue 45 MET Chi-restraints excluded: chain AF residue 47 LYS Chi-restraints excluded: chain AF residue 81 ASN Chi-restraints excluded: chain AG residue 67 ILE Chi-restraints excluded: chain AI residue 17 ASP Chi-restraints excluded: chain AI residue 47 ASN Chi-restraints excluded: chain AJ residue 81 ASN Chi-restraints excluded: chain AJ residue 82 ASP Chi-restraints excluded: chain AK residue 30 GLU Chi-restraints excluded: chain AK residue 35 GLU Chi-restraints excluded: chain AL residue 35 GLU Chi-restraints excluded: chain AL residue 67 ILE Chi-restraints excluded: chain AM residue 30 LEU Chi-restraints excluded: chain AM residue 32 ASP Chi-restraints excluded: chain AN residue 39 SER Chi-restraints excluded: chain AN residue 47 LYS Chi-restraints excluded: chain AN residue 49 ASP Chi-restraints excluded: chain AO residue 82 ASP Chi-restraints excluded: chain AP residue 59 SER Chi-restraints excluded: chain AR residue 3 GLU Chi-restraints excluded: chain AR residue 39 SER Chi-restraints excluded: chain AR residue 81 ASN Chi-restraints excluded: chain AS residue 30 GLU Chi-restraints excluded: chain AS residue 59 SER Chi-restraints excluded: chain AS residue 67 ILE Chi-restraints excluded: chain AT residue 59 SER Chi-restraints excluded: chain AT residue 67 ILE Chi-restraints excluded: chain AT residue 73 SER Chi-restraints excluded: chain AV residue 61 VAL Chi-restraints excluded: chain AV residue 65 LYS Chi-restraints excluded: chain AW residue 67 ILE Chi-restraints excluded: chain AX residue 59 SER Chi-restraints excluded: chain AY residue 47 ASN Chi-restraints excluded: chain AZ residue 39 SER Chi-restraints excluded: chain BA residue 30 GLU Chi-restraints excluded: chain BB residue 35 GLU Chi-restraints excluded: chain BB residue 67 ILE Chi-restraints excluded: chain BC residue 32 ASP Chi-restraints excluded: chain BD residue 39 SER Chi-restraints excluded: chain BD residue 47 LYS Chi-restraints excluded: chain BD residue 49 ASP Chi-restraints excluded: chain BF residue 59 SER Chi-restraints excluded: chain BG residue 47 ASN Chi-restraints excluded: chain BH residue 3 GLU Chi-restraints excluded: chain BH residue 59 SER Chi-restraints excluded: chain BH residue 81 ASN Chi-restraints excluded: chain BI residue 59 SER Chi-restraints excluded: chain BI residue 67 ILE Chi-restraints excluded: chain BJ residue 59 SER Chi-restraints excluded: chain BJ residue 67 ILE Chi-restraints excluded: chain BK residue 32 ASP Chi-restraints excluded: chain BK residue 39 ASP Chi-restraints excluded: chain BK residue 47 ASN Chi-restraints excluded: chain BL residue 65 LYS Chi-restraints excluded: chain BM residue 30 GLU Chi-restraints excluded: chain BM residue 45 MET Chi-restraints excluded: chain BN residue 35 GLU Chi-restraints excluded: chain BN residue 59 SER Chi-restraints excluded: chain BN residue 67 ILE Chi-restraints excluded: chain BP residue 65 LYS Chi-restraints excluded: chain BQ residue 67 ILE Chi-restraints excluded: chain BR residue 59 SER Chi-restraints excluded: chain BS residue 30 LEU Chi-restraints excluded: chain BT residue 39 SER Chi-restraints excluded: chain BT residue 45 MET Chi-restraints excluded: chain BT residue 47 LYS Chi-restraints excluded: chain BV residue 59 SER Chi-restraints excluded: chain BW residue 32 ASP Chi-restraints excluded: chain BX residue 3 GLU Chi-restraints excluded: chain BX residue 59 SER Chi-restraints excluded: chain BX residue 82 ASP Chi-restraints excluded: chain BY residue 30 GLU Chi-restraints excluded: chain BY residue 47 LYS Chi-restraints excluded: chain BY residue 59 SER Chi-restraints excluded: chain BY residue 67 ILE Chi-restraints excluded: chain BZ residue 59 SER Chi-restraints excluded: chain BZ residue 67 ILE Chi-restraints excluded: chain CA residue 47 ASN Chi-restraints excluded: chain CB residue 81 ASN Chi-restraints excluded: chain CC residue 30 GLU Chi-restraints excluded: chain CD residue 35 GLU Chi-restraints excluded: chain CD residue 67 ILE Chi-restraints excluded: chain CF residue 47 LYS Chi-restraints excluded: chain CF residue 65 LYS Chi-restraints excluded: chain CG residue 67 ILE Chi-restraints excluded: chain CG residue 72 SER Chi-restraints excluded: chain CH residue 59 SER Chi-restraints excluded: chain CJ residue 3 GLU Chi-restraints excluded: chain CJ residue 49 ASP Chi-restraints excluded: chain CJ residue 59 SER Chi-restraints excluded: chain CJ residue 81 ASN Chi-restraints excluded: chain CK residue 59 SER Chi-restraints excluded: chain CK residue 67 ILE Chi-restraints excluded: chain CK residue 72 SER Chi-restraints excluded: chain CL residue 73 SER Chi-restraints excluded: chain CM residue 30 LEU Chi-restraints excluded: chain CN residue 45 MET Chi-restraints excluded: chain CN residue 47 LYS Chi-restraints excluded: chain CO residue 67 ILE Chi-restraints excluded: chain CQ residue 32 ASP Chi-restraints excluded: chain CR residue 39 SER Chi-restraints excluded: chain CR residue 47 LYS Chi-restraints excluded: chain CT residue 59 SER Chi-restraints excluded: chain CV residue 47 LYS Chi-restraints excluded: chain CW residue 67 ILE Chi-restraints excluded: chain CX residue 59 SER Chi-restraints excluded: chain CY residue 39 ASP Chi-restraints excluded: chain CY residue 52 MET Chi-restraints excluded: chain CZ residue 3 GLU Chi-restraints excluded: chain CZ residue 10 THR Chi-restraints excluded: chain CZ residue 59 SER Chi-restraints excluded: chain CZ residue 82 ASP Chi-restraints excluded: chain DA residue 59 SER Chi-restraints excluded: chain DB residue 59 SER Chi-restraints excluded: chain DB residue 73 SER Chi-restraints excluded: chain DC residue 30 LEU Chi-restraints excluded: chain DC residue 32 ASP Chi-restraints excluded: chain DD residue 45 MET Chi-restraints excluded: chain DD residue 47 LYS Chi-restraints excluded: chain DD residue 65 LYS Chi-restraints excluded: chain DD residue 81 ASN Chi-restraints excluded: chain DE residue 67 ILE Chi-restraints excluded: chain DF residue 54 ASN Chi-restraints excluded: chain DF residue 59 SER Chi-restraints excluded: chain DG residue 60 GLU Chi-restraints excluded: chain DH residue 65 LYS Chi-restraints excluded: chain DH residue 81 ASN Chi-restraints excluded: chain DI residue 67 ILE Chi-restraints excluded: chain DK residue 32 ASP Chi-restraints excluded: chain DL residue 39 SER Chi-restraints excluded: chain DL residue 47 LYS Chi-restraints excluded: chain DL residue 49 ASP Chi-restraints excluded: chain DN residue 59 SER Chi-restraints excluded: chain DO residue 47 ASN Chi-restraints excluded: chain DQ residue 30 GLU Chi-restraints excluded: chain DQ residue 47 LYS Chi-restraints excluded: chain DR residue 59 SER Chi-restraints excluded: chain DR residue 67 ILE Chi-restraints excluded: chain DS residue 30 LEU Chi-restraints excluded: chain DT residue 47 LYS Chi-restraints excluded: chain DV residue 59 SER Chi-restraints excluded: chain DX residue 65 LYS Chi-restraints excluded: chain DY residue 67 ILE Chi-restraints excluded: chain DZ residue 59 SER Chi-restraints excluded: chain EA residue 5 LYS Chi-restraints excluded: chain EB residue 39 SER Chi-restraints excluded: chain EB residue 47 LYS Chi-restraints excluded: chain EC residue 30 GLU Chi-restraints excluded: chain ED residue 59 SER Chi-restraints excluded: chain EE residue 30 LEU Chi-restraints excluded: chain EF residue 45 MET Chi-restraints excluded: chain EF residue 47 LYS Chi-restraints excluded: chain EF residue 81 ASN Chi-restraints excluded: chain EG residue 67 ILE Chi-restraints excluded: chain EK residue 30 GLU Chi-restraints excluded: chain EK residue 47 LYS Chi-restraints excluded: chain EL residue 54 ASN Chi-restraints excluded: chain EL residue 67 ILE Chi-restraints excluded: chain EM residue 32 ASP Chi-restraints excluded: chain EN residue 3 GLU Chi-restraints excluded: chain EO residue 30 GLU Chi-restraints excluded: chain EO residue 59 SER Chi-restraints excluded: chain EO residue 67 ILE Chi-restraints excluded: chain EP residue 59 SER Chi-restraints excluded: chain ER residue 39 SER Chi-restraints excluded: chain ER residue 47 LYS Chi-restraints excluded: chain ET residue 59 SER Chi-restraints excluded: chain ET residue 67 ILE Chi-restraints excluded: chain EV residue 62 GLU Chi-restraints excluded: chain EW residue 30 GLU Chi-restraints excluded: chain EX residue 67 ILE Chi-restraints excluded: chain EY residue 30 LEU Chi-restraints excluded: chain EZ residue 45 MET Chi-restraints excluded: chain EZ residue 47 LYS Chi-restraints excluded: chain EZ residue 65 LYS Chi-restraints excluded: chain FA residue 67 ILE Chi-restraints excluded: chain FB residue 59 SER Chi-restraints excluded: chain FD residue 47 LYS Chi-restraints excluded: chain FF residue 59 SER Chi-restraints excluded: chain FG residue 16 CYS Chi-restraints excluded: chain FG residue 17 ASP Chi-restraints excluded: chain FG residue 47 ASN Chi-restraints excluded: chain FH residue 39 SER Chi-restraints excluded: chain FH residue 65 LYS Chi-restraints excluded: chain FH residue 81 ASN Chi-restraints excluded: chain FI residue 67 ILE Chi-restraints excluded: chain FK residue 32 ASP Chi-restraints excluded: chain FL residue 3 GLU Chi-restraints excluded: chain FL residue 81 ASN Chi-restraints excluded: chain FL residue 82 ASP Chi-restraints excluded: chain FM residue 30 GLU Chi-restraints excluded: chain FM residue 67 ILE Chi-restraints excluded: chain FN residue 59 SER Chi-restraints excluded: chain FN residue 65 LYS Chi-restraints excluded: chain FN residue 67 ILE Chi-restraints excluded: chain FN residue 73 SER Chi-restraints excluded: chain FO residue 30 LEU Chi-restraints excluded: chain FP residue 45 MET Chi-restraints excluded: chain FP residue 47 LYS Chi-restraints excluded: chain FQ residue 67 ILE Chi-restraints excluded: chain FT residue 39 SER Chi-restraints excluded: chain FT residue 47 LYS Chi-restraints excluded: chain FU residue 65 LYS Chi-restraints excluded: chain FV residue 59 SER Chi-restraints excluded: chain FX residue 65 LYS Chi-restraints excluded: chain FY residue 67 ILE Chi-restraints excluded: chain FZ residue 59 SER Chi-restraints excluded: chain GA residue 30 LEU Chi-restraints excluded: chain GA residue 80 LYS Chi-restraints excluded: chain GB residue 45 MET Chi-restraints excluded: chain GB residue 82 ASP Chi-restraints excluded: chain GC residue 67 ILE Chi-restraints excluded: chain GE residue 52 MET Chi-restraints excluded: chain GF residue 3 GLU Chi-restraints excluded: chain GF residue 39 SER Chi-restraints excluded: chain GF residue 81 ASN Chi-restraints excluded: chain GG residue 30 GLU Chi-restraints excluded: chain GH residue 67 ILE Chi-restraints excluded: chain GJ residue 17 ILE Chi-restraints excluded: chain GJ residue 81 ASN Chi-restraints excluded: chain GK residue 30 GLU Chi-restraints excluded: chain GK residue 45 MET Chi-restraints excluded: chain GL residue 35 GLU Chi-restraints excluded: chain GL residue 67 ILE Chi-restraints excluded: chain GN residue 47 LYS Chi-restraints excluded: chain GN residue 65 LYS Chi-restraints excluded: chain GN residue 81 ASN Chi-restraints excluded: chain GO residue 67 ILE Chi-restraints excluded: chain GP residue 59 SER Chi-restraints excluded: chain GQ residue 16 CYS Chi-restraints excluded: chain GQ residue 30 LEU Chi-restraints excluded: chain GQ residue 47 ASN Chi-restraints excluded: chain GQ residue 80 LYS Chi-restraints excluded: chain GR residue 45 MET Chi-restraints excluded: chain GR residue 47 LYS Chi-restraints excluded: chain GR residue 65 LYS Chi-restraints excluded: chain GR residue 81 ASN Chi-restraints excluded: chain GS residue 67 ILE Chi-restraints excluded: chain GT residue 59 SER Chi-restraints excluded: chain GV residue 3 GLU Chi-restraints excluded: chain GV residue 47 LYS Chi-restraints excluded: chain GW residue 30 GLU Chi-restraints excluded: chain GW residue 59 SER Chi-restraints excluded: chain GW residue 67 ILE Chi-restraints excluded: chain GX residue 59 SER Chi-restraints excluded: chain GX residue 67 ILE Chi-restraints excluded: chain GZ residue 47 LYS Chi-restraints excluded: chain GZ residue 65 LYS Chi-restraints excluded: chain HA residue 67 ILE Chi-restraints excluded: chain HB residue 59 SER Chi-restraints excluded: chain HC residue 17 ASP Chi-restraints excluded: chain HE residue 30 GLU Chi-restraints excluded: chain HE residue 45 MET Chi-restraints excluded: chain HF residue 59 SER Chi-restraints excluded: chain HF residue 67 ILE Chi-restraints excluded: chain HG residue 32 ASP Chi-restraints excluded: chain HH residue 39 SER Chi-restraints excluded: chain HH residue 47 LYS Chi-restraints excluded: chain HH residue 49 ASP Chi-restraints excluded: chain HJ residue 59 SER Chi-restraints excluded: chain HL residue 3 GLU Chi-restraints excluded: chain HL residue 39 SER Chi-restraints excluded: chain HL residue 47 LYS Chi-restraints excluded: chain HL residue 81 ASN Chi-restraints excluded: chain HM residue 30 GLU Chi-restraints excluded: chain HM residue 59 SER Chi-restraints excluded: chain HM residue 67 ILE Chi-restraints excluded: chain HN residue 59 SER Chi-restraints excluded: chain HN residue 73 SER Chi-restraints excluded: chain HP residue 65 LYS Chi-restraints excluded: chain HQ residue 67 ILE Chi-restraints excluded: chain HS residue 32 ASP Chi-restraints excluded: chain HT residue 62 GLU Chi-restraints excluded: chain HU residue 30 GLU Chi-restraints excluded: chain HV residue 67 ILE Chi-restraints excluded: chain HW residue 38 LYS Chi-restraints excluded: chain HX residue 3 GLU Chi-restraints excluded: chain HX residue 81 ASN Chi-restraints excluded: chain HY residue 30 GLU Chi-restraints excluded: chain HY residue 59 SER Chi-restraints excluded: chain HY residue 67 ILE Chi-restraints excluded: chain HZ residue 3 GLU Chi-restraints excluded: chain HZ residue 59 SER Chi-restraints excluded: chain HZ residue 67 ILE Chi-restraints excluded: chain HZ residue 73 SER Chi-restraints excluded: chain IB residue 47 LYS Chi-restraints excluded: chain IB residue 49 ASP Chi-restraints excluded: chain ID residue 59 SER Chi-restraints excluded: chain IF residue 30 GLU Chi-restraints excluded: chain IF residue 39 SER Chi-restraints excluded: chain IF residue 45 MET Chi-restraints excluded: chain IF residue 65 LYS Chi-restraints excluded: chain IG residue 67 ILE Chi-restraints excluded: chain IH residue 66 ARG Chi-restraints excluded: chain II residue 25 LEU Chi-restraints excluded: chain IK residue 30 GLU Chi-restraints excluded: chain IL residue 35 GLU Chi-restraints excluded: chain IL residue 67 ILE Chi-restraints excluded: chain IN residue 3 GLU Chi-restraints excluded: chain IO residue 59 SER Chi-restraints excluded: chain IO residue 67 ILE Chi-restraints excluded: chain IO residue 72 SER Chi-restraints excluded: chain IP residue 67 ILE Chi-restraints excluded: chain IQ residue 32 ASP Chi-restraints excluded: chain IR residue 39 SER Chi-restraints excluded: chain IR residue 47 LYS Chi-restraints excluded: chain IT residue 59 SER Chi-restraints excluded: chain IU residue 47 ASN Chi-restraints excluded: chain IV residue 39 SER Chi-restraints excluded: chain IW residue 30 GLU Chi-restraints excluded: chain IX residue 35 GLU Chi-restraints excluded: chain IX residue 67 ILE Chi-restraints excluded: chain IY residue 30 LEU Chi-restraints excluded: chain IZ residue 45 MET Chi-restraints excluded: chain IZ residue 49 ASP Chi-restraints excluded: chain IZ residue 65 LYS Chi-restraints excluded: chain IZ residue 81 ASN Chi-restraints excluded: chain JA residue 67 ILE Chi-restraints excluded: chain JB residue 54 ASN Chi-restraints excluded: chain JD residue 59 SER Chi-restraints excluded: chain JD residue 65 LYS Chi-restraints excluded: chain JD residue 81 ASN Chi-restraints excluded: chain JE residue 67 ILE Chi-restraints excluded: chain JE residue 73 SER Chi-restraints excluded: chain JF residue 59 SER Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1725 optimal weight: 0.9980 chunk 1313 optimal weight: 0.0770 chunk 906 optimal weight: 3.9990 chunk 193 optimal weight: 9.9990 chunk 833 optimal weight: 0.0370 chunk 1172 optimal weight: 9.9990 chunk 1752 optimal weight: 7.9990 chunk 1855 optimal weight: 7.9990 chunk 915 optimal weight: 10.0000 chunk 1661 optimal weight: 4.9990 chunk 500 optimal weight: 10.0000 overall best weight: 2.0220 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8272 moved from start: 0.3543 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.043 142200 Z= 0.173 Angle : 0.474 10.349 191940 Z= 0.264 Chirality : 0.040 0.144 23940 Planarity : 0.002 0.020 24720 Dihedral : 4.489 28.249 20400 Min Nonbonded Distance : 2.149 Molprobity Statistics. All-atom Clashscore : 4.81 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.66 % Favored : 98.34 % Rotamer: Outliers : 3.10 % Allowed : 22.73 % Favored : 74.17 % 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: 0.12 (0.06), residues: 19140 helix: 1.78 (0.07), residues: 6000 sheet: 0.33 (0.07), residues: 6360 loop : -1.76 (0.06), residues: 6780 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.002 0.001 TRPCU 42 HIS 0.002 0.000 HISII 9 PHE 0.005 0.001 PHEDG 62 TYR 0.022 0.001 TYRIO 34 ARG 0.004 0.000 ARGIP 78 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5280 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 450 poor density : 4830 time to evaluate : 14.111 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AB 3 GLU cc_start: 0.7625 (mm-30) cc_final: 0.7394 (mm-30) REVERT: AB 10 THR cc_start: 0.8914 (p) cc_final: 0.8571 (m) REVERT: AC 47 LYS cc_start: 0.8676 (ptmm) cc_final: 0.8388 (pttp) REVERT: AD 66 ARG cc_start: 0.7594 (OUTLIER) cc_final: 0.7370 (ttp-170) REVERT: AH 54 ASN cc_start: 0.7991 (t0) cc_final: 0.7545 (m-40) REVERT: AJ 11 LYS cc_start: 0.8247 (tptp) cc_final: 0.8011 (tptp) REVERT: AJ 66 ARG cc_start: 0.8323 (ttm110) cc_final: 0.7995 (ttm-80) REVERT: AK 82 ASP cc_start: 0.7061 (m-30) cc_final: 0.6736 (m-30) REVERT: AL 54 ASN cc_start: 0.7975 (OUTLIER) cc_final: 0.7725 (m-40) REVERT: AN 3 GLU cc_start: 0.7630 (mm-30) cc_final: 0.7403 (mm-30) REVERT: AO 47 LYS cc_start: 0.8611 (ptmm) cc_final: 0.8337 (pttp) REVERT: AQ 60 GLU cc_start: 0.6875 (mm-30) cc_final: 0.6475 (mp0) REVERT: AQ 84 ASP cc_start: 0.7089 (t70) cc_final: 0.6855 (t0) REVERT: AR 66 ARG cc_start: 0.7960 (ttm-80) cc_final: 0.7666 (mtm-85) REVERT: AT 23 MET cc_start: 0.8126 (mtp) cc_final: 0.7837 (mtm) REVERT: AT 47 LYS cc_start: 0.8656 (ttpt) cc_final: 0.8346 (ttmm) REVERT: AT 54 ASN cc_start: 0.8390 (t0) cc_final: 0.8124 (m110) REVERT: AV 3 GLU cc_start: 0.7599 (mm-30) cc_final: 0.7305 (mm-30) REVERT: AV 66 ARG cc_start: 0.8260 (ttm110) cc_final: 0.7901 (mtm-85) REVERT: AW 65 LYS cc_start: 0.8592 (ttmm) cc_final: 0.8323 (ttpp) REVERT: BD 3 GLU cc_start: 0.7633 (mm-30) cc_final: 0.7355 (mm-30) REVERT: BG 60 GLU cc_start: 0.6936 (mm-30) cc_final: 0.6522 (mp0) REVERT: BG 84 ASP cc_start: 0.7076 (t70) cc_final: 0.6839 (t0) REVERT: BH 66 ARG cc_start: 0.8136 (ttm110) cc_final: 0.7725 (mtm-85) REVERT: BJ 23 MET cc_start: 0.8107 (mtp) cc_final: 0.7815 (mtm) REVERT: BJ 47 LYS cc_start: 0.8624 (ttpt) cc_final: 0.8340 (ttmm) REVERT: BJ 65 LYS cc_start: 0.8672 (ttmm) cc_final: 0.8456 (ttmm) REVERT: BJ 66 ARG cc_start: 0.7505 (ttp-170) cc_final: 0.7202 (ttp-170) REVERT: BL 65 LYS cc_start: 0.8611 (OUTLIER) cc_final: 0.8341 (mtpp) REVERT: BM 3 GLU cc_start: 0.7546 (mt-10) cc_final: 0.7239 (mt-10) REVERT: BM 71 VAL cc_start: 0.9352 (t) cc_final: 0.9136 (t) REVERT: BN 47 LYS cc_start: 0.8742 (ttpt) cc_final: 0.8456 (tttp) REVERT: BN 54 ASN cc_start: 0.7950 (OUTLIER) cc_final: 0.7659 (m-40) REVERT: BP 65 LYS cc_start: 0.8632 (OUTLIER) cc_final: 0.8375 (mtpp) REVERT: BP 67 ILE cc_start: 0.8790 (pt) cc_final: 0.8415 (pt) REVERT: BQ 65 LYS cc_start: 0.8569 (ttmm) cc_final: 0.8256 (ttpp) REVERT: BT 10 THR cc_start: 0.8774 (p) cc_final: 0.8555 (m) REVERT: BW 60 GLU cc_start: 0.6881 (mm-30) cc_final: 0.6518 (mp0) REVERT: BW 84 ASP cc_start: 0.7127 (t70) cc_final: 0.6863 (t0) REVERT: BZ 23 MET cc_start: 0.8103 (mtp) cc_final: 0.7796 (mtm) REVERT: BZ 47 LYS cc_start: 0.8674 (ttpt) cc_final: 0.8345 (ttmm) REVERT: CB 11 LYS cc_start: 0.8360 (tptp) cc_final: 0.8087 (tptp) REVERT: CC 71 VAL cc_start: 0.9342 (t) cc_final: 0.9138 (t) REVERT: CF 65 LYS cc_start: 0.8633 (OUTLIER) cc_final: 0.8345 (mtpp) REVERT: CF 67 ILE cc_start: 0.8672 (pt) cc_final: 0.8449 (pt) REVERT: CG 65 LYS cc_start: 0.8542 (ttmm) cc_final: 0.8268 (ttpp) REVERT: CI 60 GLU cc_start: 0.6874 (mm-30) cc_final: 0.6459 (mp0) REVERT: CI 84 ASP cc_start: 0.7072 (t70) cc_final: 0.6861 (t0) REVERT: CL 23 MET cc_start: 0.8249 (mtp) cc_final: 0.7985 (mtp) REVERT: CL 47 LYS cc_start: 0.8623 (ttpt) cc_final: 0.8339 (ttmm) REVERT: CN 66 ARG cc_start: 0.7981 (ttm-80) cc_final: 0.7754 (mtm-85) REVERT: CP 78 ARG cc_start: 0.8181 (OUTLIER) cc_final: 0.7412 (ptp-110) REVERT: CQ 18 GLU cc_start: 0.7193 (tt0) cc_final: 0.6953 (tt0) REVERT: CQ 38 LYS cc_start: 0.8455 (ttpp) cc_final: 0.8183 (tttm) REVERT: CR 3 GLU cc_start: 0.7637 (mm-30) cc_final: 0.7380 (mm-30) REVERT: CR 10 THR cc_start: 0.8895 (p) cc_final: 0.8577 (m) REVERT: CW 65 LYS cc_start: 0.8561 (ttmm) cc_final: 0.8244 (ttpp) REVERT: CY 60 GLU cc_start: 0.6872 (mm-30) cc_final: 0.6465 (mp0) REVERT: CY 84 ASP cc_start: 0.7099 (t70) cc_final: 0.6853 (t0) REVERT: DB 23 MET cc_start: 0.8102 (mtp) cc_final: 0.7807 (mtm) REVERT: DB 47 LYS cc_start: 0.8656 (ttpt) cc_final: 0.8336 (ttmm) REVERT: DB 54 ASN cc_start: 0.8382 (t0) cc_final: 0.8131 (m110) REVERT: DB 65 LYS cc_start: 0.8639 (ttmm) cc_final: 0.8420 (ttmm) REVERT: DD 10 THR cc_start: 0.8917 (p) cc_final: 0.8635 (m) REVERT: DF 45 MET cc_start: 0.7937 (mtt) cc_final: 0.7687 (mtt) REVERT: DF 54 ASN cc_start: 0.8062 (t0) cc_final: 0.7852 (m-40) REVERT: DH 65 LYS cc_start: 0.8632 (OUTLIER) cc_final: 0.8332 (mtpp) REVERT: DI 65 LYS cc_start: 0.8572 (ttmm) cc_final: 0.8312 (ttpp) REVERT: DL 3 GLU cc_start: 0.7576 (mm-30) cc_final: 0.7353 (mm-30) REVERT: DM 47 LYS cc_start: 0.8656 (ptmm) cc_final: 0.8374 (pttp) REVERT: DP 10 THR cc_start: 0.9010 (p) cc_final: 0.8613 (m) REVERT: DP 11 LYS cc_start: 0.8227 (tptp) cc_final: 0.7948 (tptp) REVERT: DP 66 ARG cc_start: 0.8279 (ttp-110) cc_final: 0.7757 (ttm-80) REVERT: DR 54 ASN cc_start: 0.7968 (OUTLIER) cc_final: 0.7700 (m-40) REVERT: DT 10 THR cc_start: 0.8929 (p) cc_final: 0.8651 (m) REVERT: DV 66 ARG cc_start: 0.7664 (ttm170) cc_final: 0.7209 (ttp-170) REVERT: DX 65 LYS cc_start: 0.8596 (OUTLIER) cc_final: 0.8327 (mtpp) REVERT: DX 67 ILE cc_start: 0.8647 (pt) cc_final: 0.8430 (pt) REVERT: DY 65 LYS cc_start: 0.8420 (ttpp) cc_final: 0.8211 (ttpp) REVERT: EE 32 ASP cc_start: 0.7741 (m-30) cc_final: 0.7312 (m-30) REVERT: EF 10 THR cc_start: 0.8908 (p) cc_final: 0.8625 (m) REVERT: EF 34 TYR cc_start: 0.8645 (m-80) cc_final: 0.8338 (m-80) REVERT: EF 66 ARG cc_start: 0.7958 (ttm-80) cc_final: 0.7709 (mtm-85) REVERT: EJ 11 LYS cc_start: 0.8369 (tptp) cc_final: 0.8066 (tptp) REVERT: EK 82 ASP cc_start: 0.7371 (m-30) cc_final: 0.7095 (m-30) REVERT: EL 54 ASN cc_start: 0.8011 (t0) cc_final: 0.7688 (m-40) REVERT: EM 60 GLU cc_start: 0.7188 (mp0) cc_final: 0.6955 (mp0) REVERT: EM 84 ASP cc_start: 0.7251 (t70) cc_final: 0.7028 (t0) REVERT: EP 23 MET cc_start: 0.8239 (mtp) cc_final: 0.7953 (mtp) REVERT: EP 65 LYS cc_start: 0.8646 (ttmm) cc_final: 0.8404 (ttmm) REVERT: EQ 38 LYS cc_start: 0.8413 (ttpp) cc_final: 0.8141 (tttm) REVERT: ER 3 GLU cc_start: 0.7630 (mm-30) cc_final: 0.7408 (mm-30) REVERT: ER 54 ASN cc_start: 0.8382 (t0) cc_final: 0.8159 (m-40) REVERT: ES 47 LYS cc_start: 0.8640 (ptmm) cc_final: 0.8382 (pttp) REVERT: EV 10 THR cc_start: 0.8997 (p) cc_final: 0.8616 (m) REVERT: EW 71 VAL cc_start: 0.9312 (t) cc_final: 0.9109 (t) REVERT: EX 54 ASN cc_start: 0.7966 (OUTLIER) cc_final: 0.7697 (m-40) REVERT: EZ 10 THR cc_start: 0.8934 (p) cc_final: 0.8636 (m) REVERT: EZ 66 ARG cc_start: 0.8062 (ttm110) cc_final: 0.7828 (mtm-85) REVERT: FB 78 ARG cc_start: 0.8211 (OUTLIER) cc_final: 0.7486 (ptp-110) REVERT: FD 3 GLU cc_start: 0.7651 (mm-30) cc_final: 0.7351 (mm-30) REVERT: FD 10 THR cc_start: 0.8894 (p) cc_final: 0.8558 (m) REVERT: FH 65 LYS cc_start: 0.8600 (OUTLIER) cc_final: 0.8288 (mtpp) REVERT: FI 65 LYS cc_start: 0.8399 (ttmm) cc_final: 0.8188 (ttpp) REVERT: FK 60 GLU cc_start: 0.6954 (mm-30) cc_final: 0.6537 (mp0) REVERT: FK 84 ASP cc_start: 0.7104 (t70) cc_final: 0.6818 (t0) REVERT: FM 47 LYS cc_start: 0.8553 (ptmm) cc_final: 0.8308 (ptmm) REVERT: FN 23 MET cc_start: 0.8206 (mtp) cc_final: 0.7960 (mtm) REVERT: FN 47 LYS cc_start: 0.8749 (ttpt) cc_final: 0.8417 (ttmm) REVERT: FP 10 THR cc_start: 0.8947 (p) cc_final: 0.8682 (m) REVERT: FS 38 LYS cc_start: 0.8374 (ttpp) cc_final: 0.8118 (tttm) REVERT: FT 3 GLU cc_start: 0.7632 (mm-30) cc_final: 0.7401 (mm-30) REVERT: FT 54 ASN cc_start: 0.8375 (t0) cc_final: 0.8173 (m-40) REVERT: FU 47 LYS cc_start: 0.8644 (ptmm) cc_final: 0.8386 (pttp) REVERT: FX 65 LYS cc_start: 0.8624 (OUTLIER) cc_final: 0.8338 (mtpp) REVERT: FY 65 LYS cc_start: 0.8564 (ttmm) cc_final: 0.8237 (ttpp) REVERT: GB 66 ARG cc_start: 0.7899 (ttm-80) cc_final: 0.7658 (mtm-85) REVERT: GF 66 ARG cc_start: 0.7971 (ttm110) cc_final: 0.7643 (mtm-85) REVERT: GH 47 LYS cc_start: 0.8698 (ttpt) cc_final: 0.8370 (ttmm) REVERT: GI 30 LEU cc_start: 0.9123 (pp) cc_final: 0.8799 (pp) REVERT: GK 71 VAL cc_start: 0.9344 (t) cc_final: 0.9131 (t) REVERT: GL 54 ASN cc_start: 0.7997 (OUTLIER) cc_final: 0.7739 (m-40) REVERT: GL 86 ILE cc_start: 0.8135 (mm) cc_final: 0.7900 (mt) REVERT: GM 72 MET cc_start: 0.8865 (ttt) cc_final: 0.8560 (ttt) REVERT: GN 65 LYS cc_start: 0.8646 (OUTLIER) cc_final: 0.8347 (mtpp) REVERT: GO 82 ASP cc_start: 0.7510 (m-30) cc_final: 0.7290 (m-30) REVERT: GU 84 ASP cc_start: 0.7120 (t70) cc_final: 0.6861 (t0) REVERT: GV 66 ARG cc_start: 0.8006 (ttm110) cc_final: 0.7684 (mtm-85) REVERT: GX 23 MET cc_start: 0.8252 (mtp) cc_final: 0.7989 (mtp) REVERT: GX 47 LYS cc_start: 0.8642 (ttpt) cc_final: 0.8319 (ttmm) REVERT: GX 54 ASN cc_start: 0.8296 (t0) cc_final: 0.8046 (m110) REVERT: GX 86 ILE cc_start: 0.7947 (mm) cc_final: 0.7371 (mt) REVERT: GZ 65 LYS cc_start: 0.8667 (OUTLIER) cc_final: 0.8362 (mtpp) REVERT: HE 82 ASP cc_start: 0.7050 (m-30) cc_final: 0.6754 (m-30) REVERT: HH 3 GLU cc_start: 0.7621 (mm-30) cc_final: 0.7357 (mm-30) REVERT: HH 54 ASN cc_start: 0.8385 (t0) cc_final: 0.8159 (m-40) REVERT: HN 23 MET cc_start: 0.8128 (mtp) cc_final: 0.7845 (mtm) REVERT: HN 47 LYS cc_start: 0.8622 (ttpt) cc_final: 0.8314 (ttmm) REVERT: HN 66 ARG cc_start: 0.7689 (ttm170) cc_final: 0.7442 (ttp-170) REVERT: HO 52 MET cc_start: 0.8300 (mmm) cc_final: 0.8076 (mmm) REVERT: HP 65 LYS cc_start: 0.8637 (OUTLIER) cc_final: 0.8343 (mtpp) REVERT: HQ 65 LYS cc_start: 0.8565 (ttmm) cc_final: 0.8320 (ttpp) REVERT: HT 11 LYS cc_start: 0.8241 (tptp) cc_final: 0.7986 (tptp) REVERT: HV 54 ASN cc_start: 0.7953 (OUTLIER) cc_final: 0.7671 (m-40) REVERT: HW 60 GLU cc_start: 0.6894 (mm-30) cc_final: 0.6481 (mp0) REVERT: HW 84 ASP cc_start: 0.7097 (t70) cc_final: 0.6818 (t0) REVERT: HY 35 GLU cc_start: 0.7872 (tt0) cc_final: 0.7629 (mt-10) REVERT: HZ 23 MET cc_start: 0.8219 (mtp) cc_final: 0.7959 (mtp) REVERT: HZ 47 LYS cc_start: 0.8741 (ttpt) cc_final: 0.8408 (ttmm) REVERT: IB 3 GLU cc_start: 0.7645 (mm-30) cc_final: 0.7370 (mm-30) REVERT: IB 10 THR cc_start: 0.8880 (p) cc_final: 0.8572 (m) REVERT: IC 47 LYS cc_start: 0.8657 (ptmm) cc_final: 0.8397 (pttp) REVERT: IF 47 LYS cc_start: 0.8387 (ptmt) cc_final: 0.8086 (ttpt) REVERT: IH 54 ASN cc_start: 0.8028 (t0) cc_final: 0.7580 (m-40) REVERT: IH 66 ARG cc_start: 0.7761 (OUTLIER) cc_final: 0.7424 (ttp-170) REVERT: II 30 LEU cc_start: 0.9115 (OUTLIER) cc_final: 0.8760 (pp) REVERT: IK 71 VAL cc_start: 0.9315 (t) cc_final: 0.9102 (t) REVERT: IK 82 ASP cc_start: 0.7014 (m-30) cc_final: 0.6730 (m-30) REVERT: IL 54 ASN cc_start: 0.7981 (OUTLIER) cc_final: 0.7735 (m-40) REVERT: IM 60 GLU cc_start: 0.6897 (mm-30) cc_final: 0.6501 (mp0) REVERT: IP 47 LYS cc_start: 0.8706 (ttpt) cc_final: 0.8378 (ttmm) REVERT: IR 3 GLU cc_start: 0.7636 (mm-30) cc_final: 0.7358 (mm-30) REVERT: IR 10 THR cc_start: 0.8910 (p) cc_final: 0.8564 (m) REVERT: IS 47 LYS cc_start: 0.8648 (ptmm) cc_final: 0.8368 (pttp) REVERT: IT 9 GLU cc_start: 0.8219 (tt0) cc_final: 0.7988 (tt0) REVERT: IV 10 THR cc_start: 0.9091 (p) cc_final: 0.8760 (m) REVERT: IV 11 LYS cc_start: 0.8350 (tptp) cc_final: 0.8114 (tptp) REVERT: IV 54 ASN cc_start: 0.8508 (t0) cc_final: 0.8303 (m-40) REVERT: IW 82 ASP cc_start: 0.7201 (m-30) cc_final: 0.6921 (m-30) REVERT: IX 54 ASN cc_start: 0.7951 (OUTLIER) cc_final: 0.7677 (m-40) REVERT: IZ 10 THR cc_start: 0.8726 (p) cc_final: 0.8516 (m) REVERT: IZ 49 ASP cc_start: 0.7774 (OUTLIER) cc_final: 0.7502 (t0) REVERT: IZ 66 ARG cc_start: 0.8043 (ttm-80) cc_final: 0.7717 (mtm-85) REVERT: JB 54 ASN cc_start: 0.8041 (t0) cc_final: 0.7830 (m-40) REVERT: JD 3 GLU cc_start: 0.7533 (mm-30) cc_final: 0.7185 (mm-30) REVERT: JD 65 LYS cc_start: 0.8614 (OUTLIER) cc_final: 0.8334 (mtpp) REVERT: JD 67 ILE cc_start: 0.8634 (pt) cc_final: 0.8412 (pt) REVERT: JF 9 GLU cc_start: 0.8402 (tt0) cc_final: 0.8099 (tt0) outliers start: 450 outliers final: 320 residues processed: 4978 average time/residue: 1.2953 time to fit residues: 10911.9201 Evaluate side-chains 5040 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 345 poor density : 4695 time to evaluate : 11.788 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 32 ASP Chi-restraints excluded: chain AA residue 47 ASN Chi-restraints excluded: chain AA residue 57 LEU Chi-restraints excluded: chain AB residue 47 LYS Chi-restraints excluded: chain AB residue 49 ASP Chi-restraints excluded: chain AD residue 66 ARG Chi-restraints excluded: chain AE residue 30 LEU Chi-restraints excluded: chain AE residue 32 ASP Chi-restraints excluded: chain AF residue 45 MET Chi-restraints excluded: chain AF residue 47 LYS Chi-restraints excluded: chain AF residue 81 ASN Chi-restraints excluded: chain AG residue 67 ILE Chi-restraints excluded: chain AI residue 17 ASP Chi-restraints excluded: chain AI residue 25 LEU Chi-restraints excluded: chain AI residue 32 ASP Chi-restraints excluded: chain AI residue 47 ASN Chi-restraints excluded: chain AJ residue 81 ASN Chi-restraints excluded: chain AL residue 35 GLU Chi-restraints excluded: chain AL residue 54 ASN Chi-restraints excluded: chain AL residue 67 ILE Chi-restraints excluded: chain AM residue 30 LEU Chi-restraints excluded: chain AM residue 57 LEU Chi-restraints excluded: chain AN residue 47 LYS Chi-restraints excluded: chain AN residue 49 ASP Chi-restraints excluded: chain AP residue 67 ILE Chi-restraints excluded: chain AQ residue 39 ASP Chi-restraints excluded: chain AR residue 49 ASP Chi-restraints excluded: chain AR residue 81 ASN Chi-restraints excluded: chain AS residue 30 GLU Chi-restraints excluded: chain AS residue 59 SER Chi-restraints excluded: chain AS residue 67 ILE Chi-restraints excluded: chain AT residue 59 SER Chi-restraints excluded: chain AT residue 73 SER Chi-restraints excluded: chain AV residue 65 LYS Chi-restraints excluded: chain AW residue 67 ILE Chi-restraints excluded: chain AX residue 59 SER Chi-restraints excluded: chain AY residue 25 LEU Chi-restraints excluded: chain AY residue 47 ASN Chi-restraints excluded: chain BB residue 35 GLU Chi-restraints excluded: chain BB residue 59 SER Chi-restraints excluded: chain BB residue 67 ILE Chi-restraints excluded: chain BC residue 32 ASP Chi-restraints excluded: chain BC residue 57 LEU Chi-restraints excluded: chain BD residue 47 LYS Chi-restraints excluded: chain BD residue 49 ASP Chi-restraints excluded: chain BF residue 10 THR Chi-restraints excluded: chain BF residue 59 SER Chi-restraints excluded: chain BG residue 39 ASP Chi-restraints excluded: chain BG residue 47 ASN Chi-restraints excluded: chain BH residue 49 ASP Chi-restraints excluded: chain BH residue 59 SER Chi-restraints excluded: chain BH residue 81 ASN Chi-restraints excluded: chain BH residue 82 ASP Chi-restraints excluded: chain BI residue 30 GLU Chi-restraints excluded: chain BI residue 59 SER Chi-restraints excluded: chain BI residue 67 ILE Chi-restraints excluded: chain BJ residue 67 ILE Chi-restraints excluded: chain BK residue 17 ASP Chi-restraints excluded: chain BK residue 25 LEU Chi-restraints excluded: chain BK residue 32 ASP Chi-restraints excluded: chain BL residue 65 LYS Chi-restraints excluded: chain BN residue 54 ASN Chi-restraints excluded: chain BN residue 67 ILE Chi-restraints excluded: chain BP residue 65 LYS Chi-restraints excluded: chain BQ residue 67 ILE Chi-restraints excluded: chain BR residue 59 SER Chi-restraints excluded: chain BS residue 30 LEU Chi-restraints excluded: chain BS residue 32 ASP Chi-restraints excluded: chain BT residue 47 LYS Chi-restraints excluded: chain BV residue 8 ILE Chi-restraints excluded: chain BV residue 59 SER Chi-restraints excluded: chain BW residue 32 ASP Chi-restraints excluded: chain BW residue 47 ASN Chi-restraints excluded: chain BX residue 49 ASP Chi-restraints excluded: chain BX residue 59 SER Chi-restraints excluded: chain BY residue 7 LEU Chi-restraints excluded: chain BY residue 30 GLU Chi-restraints excluded: chain BY residue 59 SER Chi-restraints excluded: chain BY residue 67 ILE Chi-restraints excluded: chain BZ residue 59 SER Chi-restraints excluded: chain CA residue 25 LEU Chi-restraints excluded: chain CA residue 47 ASN Chi-restraints excluded: chain CB residue 81 ASN Chi-restraints excluded: chain CB residue 82 ASP Chi-restraints excluded: chain CD residue 35 GLU Chi-restraints excluded: chain CD residue 59 SER Chi-restraints excluded: chain CD residue 67 ILE Chi-restraints excluded: chain CE residue 27 ILE Chi-restraints excluded: chain CF residue 47 LYS Chi-restraints excluded: chain CF residue 65 LYS Chi-restraints excluded: chain CG residue 67 ILE Chi-restraints excluded: chain CH residue 59 SER Chi-restraints excluded: chain CJ residue 49 ASP Chi-restraints excluded: chain CJ residue 81 ASN Chi-restraints excluded: chain CK residue 7 LEU Chi-restraints excluded: chain CK residue 30 GLU Chi-restraints excluded: chain CK residue 59 SER Chi-restraints excluded: chain CK residue 67 ILE Chi-restraints excluded: chain CL residue 67 ILE Chi-restraints excluded: chain CL residue 73 SER Chi-restraints excluded: chain CM residue 30 LEU Chi-restraints excluded: chain CN residue 45 MET Chi-restraints excluded: chain CN residue 47 LYS Chi-restraints excluded: chain CP residue 78 ARG Chi-restraints excluded: chain CQ residue 32 ASP Chi-restraints excluded: chain CQ residue 57 LEU Chi-restraints excluded: chain CT residue 67 ILE Chi-restraints excluded: chain CV residue 47 LYS Chi-restraints excluded: chain CV residue 65 LYS Chi-restraints excluded: chain CW residue 67 ILE Chi-restraints excluded: chain CX residue 59 SER Chi-restraints excluded: chain CY residue 39 ASP Chi-restraints excluded: chain CY residue 47 ASN Chi-restraints excluded: chain CZ residue 10 THR Chi-restraints excluded: chain CZ residue 59 SER Chi-restraints excluded: chain DA residue 59 SER Chi-restraints excluded: chain DB residue 59 SER Chi-restraints excluded: chain DB residue 73 SER Chi-restraints excluded: chain DC residue 30 LEU Chi-restraints excluded: chain DC residue 32 ASP Chi-restraints excluded: chain DD residue 45 MET Chi-restraints excluded: chain DD residue 47 LYS Chi-restraints excluded: chain DD residue 81 ASN Chi-restraints excluded: chain DE residue 67 ILE Chi-restraints excluded: chain DF residue 59 SER Chi-restraints excluded: chain DG residue 60 GLU Chi-restraints excluded: chain DH residue 65 LYS Chi-restraints excluded: chain DH residue 81 ASN Chi-restraints excluded: chain DK residue 57 LEU Chi-restraints excluded: chain DK residue 80 LYS Chi-restraints excluded: chain DL residue 47 LYS Chi-restraints excluded: chain DL residue 49 ASP Chi-restraints excluded: chain DO residue 25 LEU Chi-restraints excluded: chain DO residue 47 ASN Chi-restraints excluded: chain DR residue 54 ASN Chi-restraints excluded: chain DR residue 59 SER Chi-restraints excluded: chain DR residue 67 ILE Chi-restraints excluded: chain DS residue 30 LEU Chi-restraints excluded: chain DS residue 32 ASP Chi-restraints excluded: chain DT residue 45 MET Chi-restraints excluded: chain DT residue 47 LYS Chi-restraints excluded: chain DU residue 67 ILE Chi-restraints excluded: chain DV residue 59 SER Chi-restraints excluded: chain DX residue 65 LYS Chi-restraints excluded: chain DY residue 67 ILE Chi-restraints excluded: chain DZ residue 59 SER Chi-restraints excluded: chain EA residue 5 LYS Chi-restraints excluded: chain EA residue 47 ASN Chi-restraints excluded: chain EA residue 57 LEU Chi-restraints excluded: chain EB residue 47 LYS Chi-restraints excluded: chain EE residue 30 LEU Chi-restraints excluded: chain EF residue 45 MET Chi-restraints excluded: chain EF residue 47 LYS Chi-restraints excluded: chain EF residue 81 ASN Chi-restraints excluded: chain EG residue 67 ILE Chi-restraints excluded: chain EH residue 8 ILE Chi-restraints excluded: chain EI residue 25 LEU Chi-restraints excluded: chain EJ residue 81 ASN Chi-restraints excluded: chain EL residue 35 GLU Chi-restraints excluded: chain EL residue 67 ILE Chi-restraints excluded: chain EM residue 32 ASP Chi-restraints excluded: chain EN residue 49 ASP Chi-restraints excluded: chain EO residue 30 GLU Chi-restraints excluded: chain EP residue 59 SER Chi-restraints excluded: chain EP residue 67 ILE Chi-restraints excluded: chain EQ residue 47 ASN Chi-restraints excluded: chain EQ residue 57 LEU Chi-restraints excluded: chain ER residue 47 LYS Chi-restraints excluded: chain ER residue 49 ASP Chi-restraints excluded: chain ET residue 67 ILE Chi-restraints excluded: chain EU residue 17 ASP Chi-restraints excluded: chain EU residue 25 LEU Chi-restraints excluded: chain EW residue 34 TYR Chi-restraints excluded: chain EX residue 54 ASN Chi-restraints excluded: chain EX residue 67 ILE Chi-restraints excluded: chain EY residue 30 LEU Chi-restraints excluded: chain EZ residue 47 LYS Chi-restraints excluded: chain FB residue 59 SER Chi-restraints excluded: chain FB residue 78 ARG Chi-restraints excluded: chain FC residue 57 LEU Chi-restraints excluded: chain FD residue 47 LYS Chi-restraints excluded: chain FF residue 59 SER Chi-restraints excluded: chain FF residue 67 ILE Chi-restraints excluded: chain FG residue 16 CYS Chi-restraints excluded: chain FG residue 17 ASP Chi-restraints excluded: chain FG residue 27 ILE Chi-restraints excluded: chain FH residue 65 LYS Chi-restraints excluded: chain FH residue 81 ASN Chi-restraints excluded: chain FI residue 67 ILE Chi-restraints excluded: chain FK residue 32 ASP Chi-restraints excluded: chain FL residue 49 ASP Chi-restraints excluded: chain FL residue 81 ASN Chi-restraints excluded: chain FL residue 82 ASP Chi-restraints excluded: chain FM residue 30 GLU Chi-restraints excluded: chain FM residue 67 ILE Chi-restraints excluded: chain FN residue 3 GLU Chi-restraints excluded: chain FN residue 67 ILE Chi-restraints excluded: chain FN residue 73 SER Chi-restraints excluded: chain FO residue 30 LEU Chi-restraints excluded: chain FO residue 32 ASP Chi-restraints excluded: chain FP residue 45 MET Chi-restraints excluded: chain FP residue 47 LYS Chi-restraints excluded: chain FQ residue 67 ILE Chi-restraints excluded: chain FR residue 8 ILE Chi-restraints excluded: chain FS residue 47 ASN Chi-restraints excluded: chain FS residue 57 LEU Chi-restraints excluded: chain FT residue 47 LYS Chi-restraints excluded: chain FU residue 65 LYS Chi-restraints excluded: chain FV residue 59 SER Chi-restraints excluded: chain FX residue 65 LYS Chi-restraints excluded: chain FY residue 67 ILE Chi-restraints excluded: chain FZ residue 59 SER Chi-restraints excluded: chain GA residue 30 LEU Chi-restraints excluded: chain GA residue 32 ASP Chi-restraints excluded: chain GA residue 80 LYS Chi-restraints excluded: chain GB residue 45 MET Chi-restraints excluded: chain GD residue 8 ILE Chi-restraints excluded: chain GF residue 49 ASP Chi-restraints excluded: chain GF residue 81 ASN Chi-restraints excluded: chain GG residue 30 GLU Chi-restraints excluded: chain GG residue 59 SER Chi-restraints excluded: chain GH residue 67 ILE Chi-restraints excluded: chain GI residue 25 LEU Chi-restraints excluded: chain GJ residue 47 LYS Chi-restraints excluded: chain GJ residue 81 ASN Chi-restraints excluded: chain GJ residue 82 ASP Chi-restraints excluded: chain GK residue 45 MET Chi-restraints excluded: chain GL residue 35 GLU Chi-restraints excluded: chain GL residue 54 ASN Chi-restraints excluded: chain GL residue 67 ILE Chi-restraints excluded: chain GN residue 47 LYS Chi-restraints excluded: chain GN residue 65 LYS Chi-restraints excluded: chain GN residue 81 ASN Chi-restraints excluded: chain GO residue 67 ILE Chi-restraints excluded: chain GP residue 59 SER Chi-restraints excluded: chain GQ residue 16 CYS Chi-restraints excluded: chain GQ residue 30 LEU Chi-restraints excluded: chain GQ residue 32 ASP Chi-restraints excluded: chain GQ residue 80 LYS Chi-restraints excluded: chain GR residue 45 MET Chi-restraints excluded: chain GR residue 47 LYS Chi-restraints excluded: chain GR residue 81 ASN Chi-restraints excluded: chain GR residue 82 ASP Chi-restraints excluded: chain GS residue 67 ILE Chi-restraints excluded: chain GT residue 8 ILE Chi-restraints excluded: chain GT residue 59 SER Chi-restraints excluded: chain GU residue 39 ASP Chi-restraints excluded: chain GV residue 3 GLU Chi-restraints excluded: chain GV residue 47 LYS Chi-restraints excluded: chain GV residue 49 ASP Chi-restraints excluded: chain GV residue 82 ASP Chi-restraints excluded: chain GW residue 30 GLU Chi-restraints excluded: chain GW residue 59 SER Chi-restraints excluded: chain GW residue 67 ILE Chi-restraints excluded: chain GX residue 59 SER Chi-restraints excluded: chain GY residue 60 GLU Chi-restraints excluded: chain GZ residue 47 LYS Chi-restraints excluded: chain GZ residue 65 LYS Chi-restraints excluded: chain HA residue 67 ILE Chi-restraints excluded: chain HB residue 59 SER Chi-restraints excluded: chain HC residue 17 ASP Chi-restraints excluded: chain HC residue 25 LEU Chi-restraints excluded: chain HE residue 45 MET Chi-restraints excluded: chain HF residue 35 GLU Chi-restraints excluded: chain HF residue 59 SER Chi-restraints excluded: chain HF residue 67 ILE Chi-restraints excluded: chain HG residue 32 ASP Chi-restraints excluded: chain HG residue 47 ASN Chi-restraints excluded: chain HG residue 57 LEU Chi-restraints excluded: chain HH residue 47 LYS Chi-restraints excluded: chain HH residue 49 ASP Chi-restraints excluded: chain HK residue 39 ASP Chi-restraints excluded: chain HK residue 47 ASN Chi-restraints excluded: chain HL residue 3 GLU Chi-restraints excluded: chain HL residue 47 LYS Chi-restraints excluded: chain HL residue 49 ASP Chi-restraints excluded: chain HL residue 81 ASN Chi-restraints excluded: chain HM residue 30 GLU Chi-restraints excluded: chain HM residue 59 SER Chi-restraints excluded: chain HM residue 67 ILE Chi-restraints excluded: chain HN residue 67 ILE Chi-restraints excluded: chain HN residue 73 SER Chi-restraints excluded: chain HP residue 65 LYS Chi-restraints excluded: chain HP residue 67 ILE Chi-restraints excluded: chain HS residue 25 LEU Chi-restraints excluded: chain HS residue 32 ASP Chi-restraints excluded: chain HV residue 54 ASN Chi-restraints excluded: chain HV residue 67 ILE Chi-restraints excluded: chain HW residue 32 ASP Chi-restraints excluded: chain HW residue 39 ASP Chi-restraints excluded: chain HX residue 49 ASP Chi-restraints excluded: chain HX residue 81 ASN Chi-restraints excluded: chain HX residue 82 ASP Chi-restraints excluded: chain HY residue 30 GLU Chi-restraints excluded: chain HY residue 59 SER Chi-restraints excluded: chain HZ residue 3 GLU Chi-restraints excluded: chain HZ residue 59 SER Chi-restraints excluded: chain HZ residue 67 ILE Chi-restraints excluded: chain HZ residue 73 SER Chi-restraints excluded: chain IA residue 30 LEU Chi-restraints excluded: chain IA residue 47 ASN Chi-restraints excluded: chain IA residue 57 LEU Chi-restraints excluded: chain IB residue 47 LYS Chi-restraints excluded: chain IB residue 49 ASP Chi-restraints excluded: chain ID residue 10 THR Chi-restraints excluded: chain ID residue 67 ILE Chi-restraints excluded: chain IE residue 30 LEU Chi-restraints excluded: chain IE residue 32 ASP Chi-restraints excluded: chain IG residue 67 ILE Chi-restraints excluded: chain IH residue 66 ARG Chi-restraints excluded: chain II residue 30 LEU Chi-restraints excluded: chain IK residue 30 GLU Chi-restraints excluded: chain IL residue 35 GLU Chi-restraints excluded: chain IL residue 54 ASN Chi-restraints excluded: chain IL residue 67 ILE Chi-restraints excluded: chain IM residue 32 ASP Chi-restraints excluded: chain IM residue 39 ASP Chi-restraints excluded: chain IN residue 49 ASP Chi-restraints excluded: chain IN residue 82 ASP Chi-restraints excluded: chain IO residue 59 SER Chi-restraints excluded: chain IO residue 67 ILE Chi-restraints excluded: chain IQ residue 32 ASP Chi-restraints excluded: chain IQ residue 57 LEU Chi-restraints excluded: chain IR residue 49 ASP Chi-restraints excluded: chain IT residue 59 SER Chi-restraints excluded: chain IT residue 67 ILE Chi-restraints excluded: chain IU residue 17 ASP Chi-restraints excluded: chain IU residue 25 LEU Chi-restraints excluded: chain IU residue 47 ASN Chi-restraints excluded: chain IX residue 35 GLU Chi-restraints excluded: chain IX residue 54 ASN Chi-restraints excluded: chain IX residue 67 ILE Chi-restraints excluded: chain IY residue 30 LEU Chi-restraints excluded: chain IZ residue 45 MET Chi-restraints excluded: chain IZ residue 47 LYS Chi-restraints excluded: chain IZ residue 49 ASP Chi-restraints excluded: chain IZ residue 81 ASN Chi-restraints excluded: chain IZ residue 82 ASP Chi-restraints excluded: chain JA residue 67 ILE Chi-restraints excluded: chain JD residue 59 SER Chi-restraints excluded: chain JD residue 65 LYS Chi-restraints excluded: chain JD residue 81 ASN Chi-restraints excluded: chain JE residue 67 ILE Chi-restraints excluded: chain JE residue 72 SER Chi-restraints excluded: chain JF residue 59 SER Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1545 optimal weight: 9.9990 chunk 1053 optimal weight: 3.9990 chunk 26 optimal weight: 8.9990 chunk 1381 optimal weight: 0.0870 chunk 765 optimal weight: 10.0000 chunk 1583 optimal weight: 0.6980 chunk 1282 optimal weight: 9.9990 chunk 2 optimal weight: 10.0000 chunk 947 optimal weight: 10.0000 chunk 1665 optimal weight: 0.0020 chunk 468 optimal weight: 8.9990 overall best weight: 2.7570 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: BO 53 HIS EG 81 ASN Total number of N/Q/H flips: 2 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8281 moved from start: 0.3669 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.026 142200 Z= 0.209 Angle : 0.486 9.336 191940 Z= 0.269 Chirality : 0.041 0.147 23940 Planarity : 0.002 0.029 24720 Dihedral : 4.448 28.170 20400 Min Nonbonded Distance : 2.089 Molprobity Statistics. All-atom Clashscore : 4.91 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.24 % Favored : 97.76 % Rotamer: Outliers : 3.50 % Allowed : 24.16 % Favored : 72.34 % 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: 19140 helix: 2.08 (0.07), residues: 5940 sheet: 0.42 (0.07), residues: 6360 loop : -1.67 (0.07), residues: 6840 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.003 0.001 TRPBO 42 HIS 0.002 0.001 HISGR 80 PHE 0.005 0.001 PHEDG 62 TYR 0.014 0.001 TYRHY 34 ARG 0.005 0.000 ARGDZ 78 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5217 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 508 poor density : 4709 time to evaluate : 12.061 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AB 3 GLU cc_start: 0.7606 (mm-30) cc_final: 0.7301 (mm-30) REVERT: AB 10 THR cc_start: 0.8859 (p) cc_final: 0.8523 (m) REVERT: AC 47 LYS cc_start: 0.8730 (ptmm) cc_final: 0.8460 (pttp) REVERT: AD 66 ARG cc_start: 0.7607 (OUTLIER) cc_final: 0.7187 (ttp-170) REVERT: AG 47 LYS cc_start: 0.8676 (pttp) cc_final: 0.8440 (ptmm) REVERT: AH 54 ASN cc_start: 0.8036 (t0) cc_final: 0.7610 (m-40) REVERT: AI 47 ASN cc_start: 0.8607 (OUTLIER) cc_final: 0.8298 (m-40) REVERT: AJ 10 THR cc_start: 0.9064 (p) cc_final: 0.8686 (m) REVERT: AJ 11 LYS cc_start: 0.8256 (tptp) cc_final: 0.8032 (tptp) REVERT: AK 82 ASP cc_start: 0.7067 (m-30) cc_final: 0.6744 (m-30) REVERT: AL 54 ASN cc_start: 0.8014 (OUTLIER) cc_final: 0.7765 (m-40) REVERT: AN 3 GLU cc_start: 0.7620 (mm-30) cc_final: 0.7326 (mm-30) REVERT: AO 47 LYS cc_start: 0.8625 (ptmm) cc_final: 0.8349 (pttp) REVERT: AQ 60 GLU cc_start: 0.6935 (mm-30) cc_final: 0.6515 (mp0) REVERT: AQ 84 ASP cc_start: 0.7059 (t70) cc_final: 0.6825 (t0) REVERT: AR 66 ARG cc_start: 0.7976 (ttm-80) cc_final: 0.7708 (mtm180) REVERT: AT 47 LYS cc_start: 0.8677 (ttpt) cc_final: 0.8338 (ttmt) REVERT: AT 54 ASN cc_start: 0.8459 (t0) cc_final: 0.8178 (m110) REVERT: AV 3 GLU cc_start: 0.7630 (mm-30) cc_final: 0.7395 (mm-30) REVERT: AV 66 ARG cc_start: 0.8256 (ttm110) cc_final: 0.7915 (mtm-85) REVERT: AW 11 LYS cc_start: 0.8552 (OUTLIER) cc_final: 0.7897 (ttpp) REVERT: AW 65 LYS cc_start: 0.8612 (ttmm) cc_final: 0.8344 (ttpp) REVERT: AY 47 ASN cc_start: 0.8596 (OUTLIER) cc_final: 0.8292 (m-40) REVERT: BD 3 GLU cc_start: 0.7623 (mm-30) cc_final: 0.7338 (mm-30) REVERT: BF 82 ASP cc_start: 0.8216 (m-30) cc_final: 0.7925 (m-30) REVERT: BG 60 GLU cc_start: 0.6901 (mm-30) cc_final: 0.6482 (mp0) REVERT: BH 66 ARG cc_start: 0.8197 (ttm110) cc_final: 0.7799 (mtm-85) REVERT: BJ 47 LYS cc_start: 0.8669 (ttpt) cc_final: 0.8380 (ttmt) REVERT: BL 65 LYS cc_start: 0.8613 (OUTLIER) cc_final: 0.8307 (mtpp) REVERT: BM 3 GLU cc_start: 0.7539 (mt-10) cc_final: 0.7225 (mt-10) REVERT: BM 71 VAL cc_start: 0.9313 (t) cc_final: 0.9109 (t) REVERT: BN 47 LYS cc_start: 0.8753 (ttpt) cc_final: 0.8451 (tttp) REVERT: BN 54 ASN cc_start: 0.8024 (OUTLIER) cc_final: 0.7729 (m-40) REVERT: BP 65 LYS cc_start: 0.8605 (OUTLIER) cc_final: 0.8249 (mttm) REVERT: BP 67 ILE cc_start: 0.8782 (pt) cc_final: 0.8455 (pt) REVERT: BQ 65 LYS cc_start: 0.8619 (ttmm) cc_final: 0.8300 (ttpp) REVERT: BT 10 THR cc_start: 0.8752 (p) cc_final: 0.8519 (m) REVERT: BW 60 GLU cc_start: 0.6978 (mm-30) cc_final: 0.6595 (mp0) REVERT: BW 84 ASP cc_start: 0.7079 (t70) cc_final: 0.6860 (t0) REVERT: BZ 23 MET cc_start: 0.8190 (mtp) cc_final: 0.7977 (mtp) REVERT: BZ 47 LYS cc_start: 0.8687 (ttpt) cc_final: 0.8341 (ttmt) REVERT: BZ 86 ILE cc_start: 0.8083 (mm) cc_final: 0.7375 (mt) REVERT: CA 47 ASN cc_start: 0.8607 (OUTLIER) cc_final: 0.8301 (m-40) REVERT: CC 82 ASP cc_start: 0.6977 (m-30) cc_final: 0.6691 (m-30) REVERT: CF 65 LYS cc_start: 0.8634 (OUTLIER) cc_final: 0.8351 (mtpp) REVERT: CF 67 ILE cc_start: 0.8804 (pt) cc_final: 0.8557 (pt) REVERT: CG 65 LYS cc_start: 0.8555 (ttmm) cc_final: 0.8274 (ttpp) REVERT: CL 23 MET cc_start: 0.8182 (mtp) cc_final: 0.7980 (mtp) REVERT: CL 47 LYS cc_start: 0.8669 (ttpt) cc_final: 0.8345 (ttmt) REVERT: CP 78 ARG cc_start: 0.8236 (OUTLIER) cc_final: 0.7993 (ptp-110) REVERT: CQ 18 GLU cc_start: 0.7274 (tt0) cc_final: 0.7048 (tt0) REVERT: CQ 38 LYS cc_start: 0.8463 (ttpp) cc_final: 0.8189 (tttm) REVERT: CR 3 GLU cc_start: 0.7592 (mm-30) cc_final: 0.7306 (mm-30) REVERT: CR 10 THR cc_start: 0.8864 (p) cc_final: 0.8518 (m) REVERT: CW 65 LYS cc_start: 0.8602 (ttmm) cc_final: 0.8303 (ttpp) REVERT: DB 47 LYS cc_start: 0.8681 (ttpt) cc_final: 0.8336 (ttmt) REVERT: DB 54 ASN cc_start: 0.8450 (t0) cc_final: 0.8191 (m110) REVERT: DB 65 LYS cc_start: 0.8653 (ttmm) cc_final: 0.8439 (ttmm) REVERT: DD 10 THR cc_start: 0.8881 (p) cc_final: 0.8608 (m) REVERT: DF 54 ASN cc_start: 0.8137 (OUTLIER) cc_final: 0.7907 (m-40) REVERT: DH 65 LYS cc_start: 0.8609 (OUTLIER) cc_final: 0.8304 (mtpp) REVERT: DI 65 LYS cc_start: 0.8539 (ttmm) cc_final: 0.8315 (ttpp) REVERT: DJ 66 ARG cc_start: 0.7636 (ttp-170) cc_final: 0.7377 (ttm-80) REVERT: DM 3 GLU cc_start: 0.7587 (OUTLIER) cc_final: 0.7305 (mt-10) REVERT: DM 47 LYS cc_start: 0.8647 (ptmm) cc_final: 0.8369 (pttp) REVERT: DO 47 ASN cc_start: 0.8588 (OUTLIER) cc_final: 0.8293 (m-40) REVERT: DP 10 THR cc_start: 0.9060 (p) cc_final: 0.8674 (m) REVERT: DP 11 LYS cc_start: 0.8236 (tptp) cc_final: 0.7968 (tptp) REVERT: DR 54 ASN cc_start: 0.8009 (OUTLIER) cc_final: 0.7761 (m-40) REVERT: DT 10 THR cc_start: 0.8900 (p) cc_final: 0.8605 (m) REVERT: DV 66 ARG cc_start: 0.7517 (ttm170) cc_final: 0.7172 (ttp-170) REVERT: DX 65 LYS cc_start: 0.8603 (OUTLIER) cc_final: 0.8323 (mtpp) REVERT: DX 67 ILE cc_start: 0.8618 (pt) cc_final: 0.8362 (pt) REVERT: ED 66 ARG cc_start: 0.7449 (ttp-170) cc_final: 0.7002 (ptp90) REVERT: EF 10 THR cc_start: 0.8884 (p) cc_final: 0.8592 (m) REVERT: EF 66 ARG cc_start: 0.7999 (ttm-80) cc_final: 0.7723 (mtm-85) REVERT: EG 47 LYS cc_start: 0.8666 (pttp) cc_final: 0.8410 (ptmm) REVERT: EK 82 ASP cc_start: 0.7321 (m-30) cc_final: 0.7049 (m-30) REVERT: EM 60 GLU cc_start: 0.7166 (mp0) cc_final: 0.6912 (mp0) REVERT: EM 84 ASP cc_start: 0.7103 (t70) cc_final: 0.6899 (t0) REVERT: EN 66 ARG cc_start: 0.8128 (ttm110) cc_final: 0.7725 (mtm-85) REVERT: EP 23 MET cc_start: 0.8185 (mtp) cc_final: 0.7979 (mtp) REVERT: EP 65 LYS cc_start: 0.8680 (ttmm) cc_final: 0.8470 (ttmm) REVERT: EQ 38 LYS cc_start: 0.8444 (ttpp) cc_final: 0.8186 (tttm) REVERT: ER 3 GLU cc_start: 0.7619 (mm-30) cc_final: 0.7326 (mm-30) REVERT: ES 47 LYS cc_start: 0.8689 (ptmm) cc_final: 0.8437 (pttp) REVERT: ET 66 ARG cc_start: 0.7553 (OUTLIER) cc_final: 0.7213 (ptp90) REVERT: EW 71 VAL cc_start: 0.9286 (t) cc_final: 0.9076 (t) REVERT: EX 54 ASN cc_start: 0.8087 (OUTLIER) cc_final: 0.7815 (m-40) REVERT: EZ 10 THR cc_start: 0.8942 (p) cc_final: 0.8620 (m) REVERT: EZ 66 ARG cc_start: 0.8157 (ttm110) cc_final: 0.7891 (mtm-85) REVERT: FB 78 ARG cc_start: 0.8245 (OUTLIER) cc_final: 0.8013 (ptp-110) REVERT: FD 3 GLU cc_start: 0.7630 (mm-30) cc_final: 0.7321 (mm-30) REVERT: FD 10 THR cc_start: 0.8840 (p) cc_final: 0.8505 (m) REVERT: FE 47 LYS cc_start: 0.8418 (pttm) cc_final: 0.8145 (pttm) REVERT: FF 66 ARG cc_start: 0.7615 (OUTLIER) cc_final: 0.7349 (ttm170) REVERT: FF 82 ASP cc_start: 0.8208 (m-30) cc_final: 0.7974 (m-30) REVERT: FH 65 LYS cc_start: 0.8647 (OUTLIER) cc_final: 0.8267 (mttm) REVERT: FK 84 ASP cc_start: 0.7056 (t70) cc_final: 0.6796 (t0) REVERT: FN 47 LYS cc_start: 0.8779 (ttpt) cc_final: 0.8415 (ttmm) REVERT: FP 10 THR cc_start: 0.8919 (p) cc_final: 0.8631 (m) REVERT: FT 3 GLU cc_start: 0.7624 (mm-30) cc_final: 0.7316 (mm-30) REVERT: FU 47 LYS cc_start: 0.8700 (ptmm) cc_final: 0.8405 (pttp) REVERT: FV 66 ARG cc_start: 0.7688 (OUTLIER) cc_final: 0.7424 (ttm170) REVERT: FX 65 LYS cc_start: 0.8626 (OUTLIER) cc_final: 0.8347 (mtpp) REVERT: FY 65 LYS cc_start: 0.8608 (ttmm) cc_final: 0.8289 (ttpp) REVERT: GB 66 ARG cc_start: 0.7964 (ttm-80) cc_final: 0.7678 (mtm-85) REVERT: GF 66 ARG cc_start: 0.8077 (ttm110) cc_final: 0.7741 (mtm-85) REVERT: GH 47 LYS cc_start: 0.8661 (ttpt) cc_final: 0.8377 (ttmt) REVERT: GI 30 LEU cc_start: 0.9124 (OUTLIER) cc_final: 0.8780 (pp) REVERT: GL 54 ASN cc_start: 0.8062 (OUTLIER) cc_final: 0.7808 (m-40) REVERT: GN 65 LYS cc_start: 0.8638 (OUTLIER) cc_final: 0.8336 (mtpp) REVERT: GO 11 LYS cc_start: 0.8514 (OUTLIER) cc_final: 0.7904 (ttpp) REVERT: GO 47 LYS cc_start: 0.8691 (ptmm) cc_final: 0.8468 (ptmm) REVERT: GS 47 LYS cc_start: 0.8671 (pttp) cc_final: 0.8430 (ptmm) REVERT: GV 66 ARG cc_start: 0.8010 (ttm110) cc_final: 0.7731 (mtm-85) REVERT: GX 23 MET cc_start: 0.8182 (mtp) cc_final: 0.7966 (mtp) REVERT: GX 47 LYS cc_start: 0.8693 (ttpt) cc_final: 0.8335 (ttmt) REVERT: GX 54 ASN cc_start: 0.8460 (OUTLIER) cc_final: 0.8190 (m110) REVERT: GZ 65 LYS cc_start: 0.8668 (OUTLIER) cc_final: 0.8377 (mtpp) REVERT: HE 82 ASP cc_start: 0.7027 (m-30) cc_final: 0.6742 (m-30) REVERT: HF 54 ASN cc_start: 0.7984 (OUTLIER) cc_final: 0.7747 (m-40) REVERT: HH 3 GLU cc_start: 0.7614 (mm-30) cc_final: 0.7338 (mm-30) REVERT: HN 47 LYS cc_start: 0.8678 (ttpt) cc_final: 0.8327 (ttmt) REVERT: HN 66 ARG cc_start: 0.7698 (ttm170) cc_final: 0.7435 (ttp-170) REVERT: HP 65 LYS cc_start: 0.8650 (OUTLIER) cc_final: 0.8363 (mtpp) REVERT: HT 11 LYS cc_start: 0.8264 (tptp) cc_final: 0.7987 (tptp) REVERT: HV 54 ASN cc_start: 0.8036 (OUTLIER) cc_final: 0.7755 (m-40) REVERT: HW 18 GLU cc_start: 0.7333 (tt0) cc_final: 0.7095 (tt0) REVERT: HW 60 GLU cc_start: 0.6887 (mm-30) cc_final: 0.6465 (mp0) REVERT: HW 84 ASP cc_start: 0.7048 (t70) cc_final: 0.6811 (t0) REVERT: HY 35 GLU cc_start: 0.7934 (tt0) cc_final: 0.7730 (mt-10) REVERT: HZ 47 LYS cc_start: 0.8750 (ttpt) cc_final: 0.8397 (ttmm) REVERT: IB 3 GLU cc_start: 0.7639 (mm-30) cc_final: 0.7348 (mm-30) REVERT: IB 10 THR cc_start: 0.8834 (p) cc_final: 0.8509 (m) REVERT: IC 47 LYS cc_start: 0.8691 (ptmm) cc_final: 0.8429 (pttp) REVERT: ID 66 ARG cc_start: 0.7614 (OUTLIER) cc_final: 0.7337 (ttm170) REVERT: IF 30 GLU cc_start: 0.7509 (OUTLIER) cc_final: 0.7220 (pp20) REVERT: IF 47 LYS cc_start: 0.8400 (ptmt) cc_final: 0.8067 (ttpt) REVERT: IH 54 ASN cc_start: 0.8023 (t0) cc_final: 0.7631 (m-40) REVERT: IH 66 ARG cc_start: 0.7733 (OUTLIER) cc_final: 0.7459 (ttp-170) REVERT: IK 82 ASP cc_start: 0.7000 (m-30) cc_final: 0.6724 (m-30) REVERT: IL 54 ASN cc_start: 0.8012 (OUTLIER) cc_final: 0.7788 (m-40) REVERT: IP 47 LYS cc_start: 0.8680 (ttpt) cc_final: 0.8388 (ttmt) REVERT: IP 78 ARG cc_start: 0.7302 (mtt-85) cc_final: 0.7028 (mtp85) REVERT: IR 3 GLU cc_start: 0.7621 (mm-30) cc_final: 0.7321 (mm-30) REVERT: IR 10 THR cc_start: 0.8856 (p) cc_final: 0.8505 (m) REVERT: IS 47 LYS cc_start: 0.8680 (ptmm) cc_final: 0.8402 (pttp) REVERT: IT 9 GLU cc_start: 0.8169 (tt0) cc_final: 0.7948 (tt0) REVERT: IT 66 ARG cc_start: 0.7647 (OUTLIER) cc_final: 0.7278 (ptp90) REVERT: IU 47 ASN cc_start: 0.8600 (OUTLIER) cc_final: 0.8286 (m-40) REVERT: IV 54 ASN cc_start: 0.8538 (t0) cc_final: 0.8305 (m-40) REVERT: IW 82 ASP cc_start: 0.7283 (m-30) cc_final: 0.7017 (m-30) REVERT: IX 54 ASN cc_start: 0.8000 (OUTLIER) cc_final: 0.7760 (m-40) REVERT: IZ 10 THR cc_start: 0.8739 (p) cc_final: 0.8501 (m) REVERT: IZ 66 ARG cc_start: 0.8022 (ttm-80) cc_final: 0.7714 (mtm-85) REVERT: JB 54 ASN cc_start: 0.8133 (t0) cc_final: 0.7850 (m-40) REVERT: JD 3 GLU cc_start: 0.7575 (mm-30) cc_final: 0.7323 (mm-30) REVERT: JD 65 LYS cc_start: 0.8624 (OUTLIER) cc_final: 0.8337 (mtpp) REVERT: JD 67 ILE cc_start: 0.8583 (pt) cc_final: 0.8335 (pt) REVERT: JF 9 GLU cc_start: 0.8431 (tt0) cc_final: 0.8099 (tt0) outliers start: 508 outliers final: 409 residues processed: 4882 average time/residue: 1.3548 time to fit residues: 11262.1930 Evaluate side-chains 5094 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 450 poor density : 4644 time to evaluate : 11.972 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 32 ASP Chi-restraints excluded: chain AA residue 47 ASN Chi-restraints excluded: chain AA residue 57 LEU Chi-restraints excluded: chain AB residue 47 LYS Chi-restraints excluded: chain AD residue 59 SER Chi-restraints excluded: chain AD residue 66 ARG Chi-restraints excluded: chain AD residue 67 ILE Chi-restraints excluded: chain AE residue 30 LEU Chi-restraints excluded: chain AE residue 32 ASP Chi-restraints excluded: chain AF residue 39 SER Chi-restraints excluded: chain AF residue 45 MET Chi-restraints excluded: chain AF residue 47 LYS Chi-restraints excluded: chain AF residue 81 ASN Chi-restraints excluded: chain AG residue 67 ILE Chi-restraints excluded: chain AI residue 17 ASP Chi-restraints excluded: chain AI residue 25 LEU Chi-restraints excluded: chain AI residue 32 ASP Chi-restraints excluded: chain AI residue 47 ASN Chi-restraints excluded: chain AJ residue 81 ASN Chi-restraints excluded: chain AJ residue 82 ASP Chi-restraints excluded: chain AK residue 30 GLU Chi-restraints excluded: chain AK residue 35 GLU Chi-restraints excluded: chain AL residue 35 GLU Chi-restraints excluded: chain AL residue 54 ASN Chi-restraints excluded: chain AL residue 59 SER Chi-restraints excluded: chain AL residue 67 ILE Chi-restraints excluded: chain AM residue 30 LEU Chi-restraints excluded: chain AM residue 57 LEU Chi-restraints excluded: chain AN residue 47 LYS Chi-restraints excluded: chain AO residue 82 ASP Chi-restraints excluded: chain AP residue 10 THR Chi-restraints excluded: chain AP residue 59 SER Chi-restraints excluded: chain AP residue 67 ILE Chi-restraints excluded: chain AQ residue 39 ASP Chi-restraints excluded: chain AR residue 3 GLU Chi-restraints excluded: chain AR residue 49 ASP Chi-restraints excluded: chain AR residue 81 ASN Chi-restraints excluded: chain AR residue 82 ASP Chi-restraints excluded: chain AS residue 30 GLU Chi-restraints excluded: chain AS residue 59 SER Chi-restraints excluded: chain AS residue 67 ILE Chi-restraints excluded: chain AT residue 59 SER Chi-restraints excluded: chain AT residue 67 ILE Chi-restraints excluded: chain AT residue 73 SER Chi-restraints excluded: chain AV residue 59 SER Chi-restraints excluded: chain AV residue 65 LYS Chi-restraints excluded: chain AW residue 11 LYS Chi-restraints excluded: chain AW residue 67 ILE Chi-restraints excluded: chain AX residue 59 SER Chi-restraints excluded: chain AY residue 25 LEU Chi-restraints excluded: chain AY residue 47 ASN Chi-restraints excluded: chain BA residue 30 GLU Chi-restraints excluded: chain BA residue 35 GLU Chi-restraints excluded: chain BB residue 59 SER Chi-restraints excluded: chain BB residue 67 ILE Chi-restraints excluded: chain BC residue 30 LEU Chi-restraints excluded: chain BC residue 32 ASP Chi-restraints excluded: chain BC residue 57 LEU Chi-restraints excluded: chain BD residue 47 LYS Chi-restraints excluded: chain BD residue 49 ASP Chi-restraints excluded: chain BE residue 65 LYS Chi-restraints excluded: chain BF residue 10 THR Chi-restraints excluded: chain BF residue 59 SER Chi-restraints excluded: chain BF residue 67 ILE Chi-restraints excluded: chain BG residue 39 ASP Chi-restraints excluded: chain BG residue 47 ASN Chi-restraints excluded: chain BH residue 3 GLU Chi-restraints excluded: chain BH residue 10 THR Chi-restraints excluded: chain BH residue 49 ASP Chi-restraints excluded: chain BH residue 59 SER Chi-restraints excluded: chain BH residue 81 ASN Chi-restraints excluded: chain BH residue 82 ASP Chi-restraints excluded: chain BI residue 30 GLU Chi-restraints excluded: chain BI residue 67 ILE Chi-restraints excluded: chain BJ residue 59 SER Chi-restraints excluded: chain BJ residue 67 ILE Chi-restraints excluded: chain BK residue 25 LEU Chi-restraints excluded: chain BK residue 32 ASP Chi-restraints excluded: chain BK residue 57 LEU Chi-restraints excluded: chain BL residue 23 MET Chi-restraints excluded: chain BL residue 47 LYS Chi-restraints excluded: chain BL residue 65 LYS Chi-restraints excluded: chain BM residue 30 GLU Chi-restraints excluded: chain BN residue 35 GLU Chi-restraints excluded: chain BN residue 54 ASN Chi-restraints excluded: chain BN residue 59 SER Chi-restraints excluded: chain BN residue 67 ILE Chi-restraints excluded: chain BP residue 65 LYS Chi-restraints excluded: chain BQ residue 67 ILE Chi-restraints excluded: chain BR residue 59 SER Chi-restraints excluded: chain BS residue 30 LEU Chi-restraints excluded: chain BS residue 32 ASP Chi-restraints excluded: chain BT residue 45 MET Chi-restraints excluded: chain BV residue 8 ILE Chi-restraints excluded: chain BV residue 35 GLU Chi-restraints excluded: chain BV residue 59 SER Chi-restraints excluded: chain BW residue 32 ASP Chi-restraints excluded: chain BW residue 47 ASN Chi-restraints excluded: chain BX residue 3 GLU Chi-restraints excluded: chain BX residue 59 SER Chi-restraints excluded: chain BX residue 82 ASP Chi-restraints excluded: chain BY residue 7 LEU Chi-restraints excluded: chain BY residue 30 GLU Chi-restraints excluded: chain BY residue 47 LYS Chi-restraints excluded: chain BY residue 59 SER Chi-restraints excluded: chain BY residue 67 ILE Chi-restraints excluded: chain BZ residue 59 SER Chi-restraints excluded: chain CA residue 25 LEU Chi-restraints excluded: chain CA residue 32 ASP Chi-restraints excluded: chain CA residue 47 ASN Chi-restraints excluded: chain CB residue 81 ASN Chi-restraints excluded: chain CB residue 82 ASP Chi-restraints excluded: chain CC residue 30 GLU Chi-restraints excluded: chain CD residue 35 GLU Chi-restraints excluded: chain CD residue 59 SER Chi-restraints excluded: chain CD residue 67 ILE Chi-restraints excluded: chain CF residue 47 LYS Chi-restraints excluded: chain CF residue 65 LYS Chi-restraints excluded: chain CG residue 67 ILE Chi-restraints excluded: chain CH residue 59 SER Chi-restraints excluded: chain CJ residue 3 GLU Chi-restraints excluded: chain CJ residue 81 ASN Chi-restraints excluded: chain CK residue 7 LEU Chi-restraints excluded: chain CK residue 30 GLU Chi-restraints excluded: chain CK residue 59 SER Chi-restraints excluded: chain CK residue 67 ILE Chi-restraints excluded: chain CL residue 67 ILE Chi-restraints excluded: chain CL residue 73 SER Chi-restraints excluded: chain CM residue 30 LEU Chi-restraints excluded: chain CN residue 45 MET Chi-restraints excluded: chain CN residue 47 LYS Chi-restraints excluded: chain CP residue 78 ARG Chi-restraints excluded: chain CQ residue 32 ASP Chi-restraints excluded: chain CQ residue 57 LEU Chi-restraints excluded: chain CR residue 47 LYS Chi-restraints excluded: chain CT residue 59 SER Chi-restraints excluded: chain CT residue 67 ILE Chi-restraints excluded: chain CV residue 47 LYS Chi-restraints excluded: chain CV residue 65 LYS Chi-restraints excluded: chain CW residue 67 ILE Chi-restraints excluded: chain CX residue 59 SER Chi-restraints excluded: chain CY residue 39 ASP Chi-restraints excluded: chain CY residue 47 ASN Chi-restraints excluded: chain CZ residue 3 GLU Chi-restraints excluded: chain CZ residue 10 THR Chi-restraints excluded: chain CZ residue 59 SER Chi-restraints excluded: chain DA residue 59 SER Chi-restraints excluded: chain DB residue 59 SER Chi-restraints excluded: chain DB residue 67 ILE Chi-restraints excluded: chain DB residue 73 SER Chi-restraints excluded: chain DC residue 30 LEU Chi-restraints excluded: chain DC residue 32 ASP Chi-restraints excluded: chain DD residue 45 MET Chi-restraints excluded: chain DD residue 47 LYS Chi-restraints excluded: chain DD residue 81 ASN Chi-restraints excluded: chain DE residue 67 ILE Chi-restraints excluded: chain DF residue 8 ILE Chi-restraints excluded: chain DF residue 54 ASN Chi-restraints excluded: chain DF residue 59 SER Chi-restraints excluded: chain DG residue 30 LEU Chi-restraints excluded: chain DG residue 60 GLU Chi-restraints excluded: chain DH residue 65 LYS Chi-restraints excluded: chain DH residue 81 ASN Chi-restraints excluded: chain DI residue 67 ILE Chi-restraints excluded: chain DK residue 57 LEU Chi-restraints excluded: chain DK residue 60 GLU Chi-restraints excluded: chain DL residue 47 LYS Chi-restraints excluded: chain DM residue 3 GLU Chi-restraints excluded: chain DN residue 10 THR Chi-restraints excluded: chain DN residue 59 SER Chi-restraints excluded: chain DO residue 17 ASP Chi-restraints excluded: chain DO residue 25 LEU Chi-restraints excluded: chain DO residue 47 ASN Chi-restraints excluded: chain DQ residue 30 GLU Chi-restraints excluded: chain DR residue 54 ASN Chi-restraints excluded: chain DR residue 59 SER Chi-restraints excluded: chain DR residue 67 ILE Chi-restraints excluded: chain DS residue 30 LEU Chi-restraints excluded: chain DT residue 45 MET Chi-restraints excluded: chain DT residue 47 LYS Chi-restraints excluded: chain DU residue 67 ILE Chi-restraints excluded: chain DV residue 59 SER Chi-restraints excluded: chain DV residue 67 ILE Chi-restraints excluded: chain DX residue 65 LYS Chi-restraints excluded: chain DY residue 67 ILE Chi-restraints excluded: chain DZ residue 59 SER Chi-restraints excluded: chain EA residue 47 ASN Chi-restraints excluded: chain EA residue 57 LEU Chi-restraints excluded: chain EB residue 47 LYS Chi-restraints excluded: chain ED residue 10 THR Chi-restraints excluded: chain ED residue 59 SER Chi-restraints excluded: chain EE residue 30 LEU Chi-restraints excluded: chain EF residue 45 MET Chi-restraints excluded: chain EF residue 47 LYS Chi-restraints excluded: chain EF residue 81 ASN Chi-restraints excluded: chain EG residue 67 ILE Chi-restraints excluded: chain EH residue 8 ILE Chi-restraints excluded: chain EH residue 35 GLU Chi-restraints excluded: chain EI residue 32 ASP Chi-restraints excluded: chain EJ residue 81 ASN Chi-restraints excluded: chain EJ residue 82 ASP Chi-restraints excluded: chain EK residue 30 GLU Chi-restraints excluded: chain EL residue 35 GLU Chi-restraints excluded: chain EL residue 67 ILE Chi-restraints excluded: chain EM residue 32 ASP Chi-restraints excluded: chain EN residue 3 GLU Chi-restraints excluded: chain EN residue 49 ASP Chi-restraints excluded: chain EN residue 82 ASP Chi-restraints excluded: chain EO residue 30 GLU Chi-restraints excluded: chain EO residue 59 SER Chi-restraints excluded: chain EO residue 67 ILE Chi-restraints excluded: chain EP residue 3 GLU Chi-restraints excluded: chain EP residue 59 SER Chi-restraints excluded: chain EP residue 67 ILE Chi-restraints excluded: chain EQ residue 47 ASN Chi-restraints excluded: chain EQ residue 57 LEU Chi-restraints excluded: chain ER residue 47 LYS Chi-restraints excluded: chain ES residue 35 GLU Chi-restraints excluded: chain ET residue 10 THR Chi-restraints excluded: chain ET residue 59 SER Chi-restraints excluded: chain ET residue 66 ARG Chi-restraints excluded: chain ET residue 67 ILE Chi-restraints excluded: chain EU residue 57 LEU Chi-restraints excluded: chain EV residue 47 LYS Chi-restraints excluded: chain EW residue 30 GLU Chi-restraints excluded: chain EX residue 54 ASN Chi-restraints excluded: chain EX residue 67 ILE Chi-restraints excluded: chain EY residue 30 LEU Chi-restraints excluded: chain EZ residue 45 MET Chi-restraints excluded: chain EZ residue 47 LYS Chi-restraints excluded: chain FB residue 59 SER Chi-restraints excluded: chain FB residue 78 ARG Chi-restraints excluded: chain FC residue 57 LEU Chi-restraints excluded: chain FD residue 47 LYS Chi-restraints excluded: chain FD residue 82 ASP Chi-restraints excluded: chain FF residue 10 THR Chi-restraints excluded: chain FF residue 59 SER Chi-restraints excluded: chain FF residue 66 ARG Chi-restraints excluded: chain FF residue 67 ILE Chi-restraints excluded: chain FG residue 16 CYS Chi-restraints excluded: chain FG residue 17 ASP Chi-restraints excluded: chain FG residue 27 ILE Chi-restraints excluded: chain FH residue 65 LYS Chi-restraints excluded: chain FH residue 81 ASN Chi-restraints excluded: chain FI residue 67 ILE Chi-restraints excluded: chain FK residue 32 ASP Chi-restraints excluded: chain FL residue 3 GLU Chi-restraints excluded: chain FL residue 49 ASP Chi-restraints excluded: chain FL residue 81 ASN Chi-restraints excluded: chain FL residue 82 ASP Chi-restraints excluded: chain FM residue 30 GLU Chi-restraints excluded: chain FM residue 67 ILE Chi-restraints excluded: chain FN residue 3 GLU Chi-restraints excluded: chain FN residue 59 SER Chi-restraints excluded: chain FN residue 67 ILE Chi-restraints excluded: chain FN residue 73 SER Chi-restraints excluded: chain FO residue 30 LEU Chi-restraints excluded: chain FO residue 32 ASP Chi-restraints excluded: chain FP residue 45 MET Chi-restraints excluded: chain FP residue 47 LYS Chi-restraints excluded: chain FQ residue 67 ILE Chi-restraints excluded: chain FR residue 8 ILE Chi-restraints excluded: chain FR residue 35 GLU Chi-restraints excluded: chain FS residue 57 LEU Chi-restraints excluded: chain FT residue 47 LYS Chi-restraints excluded: chain FT residue 49 ASP Chi-restraints excluded: chain FU residue 65 LYS Chi-restraints excluded: chain FV residue 10 THR Chi-restraints excluded: chain FV residue 59 SER Chi-restraints excluded: chain FV residue 66 ARG Chi-restraints excluded: chain FV residue 67 ILE Chi-restraints excluded: chain FW residue 27 ILE Chi-restraints excluded: chain FX residue 61 VAL Chi-restraints excluded: chain FX residue 65 LYS Chi-restraints excluded: chain FY residue 67 ILE Chi-restraints excluded: chain FZ residue 59 SER Chi-restraints excluded: chain GA residue 30 LEU Chi-restraints excluded: chain GA residue 32 ASP Chi-restraints excluded: chain GA residue 80 LYS Chi-restraints excluded: chain GB residue 45 MET Chi-restraints excluded: chain GD residue 8 ILE Chi-restraints excluded: chain GE residue 32 ASP Chi-restraints excluded: chain GF residue 3 GLU Chi-restraints excluded: chain GF residue 45 MET Chi-restraints excluded: chain GF residue 49 ASP Chi-restraints excluded: chain GF residue 81 ASN Chi-restraints excluded: chain GG residue 30 GLU Chi-restraints excluded: chain GG residue 59 SER Chi-restraints excluded: chain GG residue 67 ILE Chi-restraints excluded: chain GH residue 67 ILE Chi-restraints excluded: chain GI residue 25 LEU Chi-restraints excluded: chain GI residue 30 LEU Chi-restraints excluded: chain GJ residue 47 LYS Chi-restraints excluded: chain GJ residue 81 ASN Chi-restraints excluded: chain GJ residue 82 ASP Chi-restraints excluded: chain GK residue 30 GLU Chi-restraints excluded: chain GK residue 45 MET Chi-restraints excluded: chain GL residue 35 GLU Chi-restraints excluded: chain GL residue 54 ASN Chi-restraints excluded: chain GL residue 59 SER Chi-restraints excluded: chain GL residue 67 ILE Chi-restraints excluded: chain GM residue 27 ILE Chi-restraints excluded: chain GN residue 47 LYS Chi-restraints excluded: chain GN residue 65 LYS Chi-restraints excluded: chain GN residue 81 ASN Chi-restraints excluded: chain GO residue 11 LYS Chi-restraints excluded: chain GO residue 67 ILE Chi-restraints excluded: chain GP residue 59 SER Chi-restraints excluded: chain GQ residue 16 CYS Chi-restraints excluded: chain GQ residue 30 LEU Chi-restraints excluded: chain GQ residue 32 ASP Chi-restraints excluded: chain GQ residue 80 LYS Chi-restraints excluded: chain GR residue 45 MET Chi-restraints excluded: chain GR residue 65 LYS Chi-restraints excluded: chain GR residue 81 ASN Chi-restraints excluded: chain GS residue 67 ILE Chi-restraints excluded: chain GT residue 8 ILE Chi-restraints excluded: chain GT residue 59 SER Chi-restraints excluded: chain GU residue 39 ASP Chi-restraints excluded: chain GV residue 3 GLU Chi-restraints excluded: chain GV residue 45 MET Chi-restraints excluded: chain GV residue 47 LYS Chi-restraints excluded: chain GV residue 49 ASP Chi-restraints excluded: chain GV residue 82 ASP Chi-restraints excluded: chain GW residue 30 GLU Chi-restraints excluded: chain GW residue 59 SER Chi-restraints excluded: chain GW residue 67 ILE Chi-restraints excluded: chain GX residue 54 ASN Chi-restraints excluded: chain GX residue 59 SER Chi-restraints excluded: chain GX residue 67 ILE Chi-restraints excluded: chain GY residue 27 ILE Chi-restraints excluded: chain GY residue 60 GLU Chi-restraints excluded: chain GZ residue 47 LYS Chi-restraints excluded: chain GZ residue 65 LYS Chi-restraints excluded: chain HA residue 67 ILE Chi-restraints excluded: chain HB residue 59 SER Chi-restraints excluded: chain HC residue 25 LEU Chi-restraints excluded: chain HC residue 32 ASP Chi-restraints excluded: chain HC residue 57 LEU Chi-restraints excluded: chain HE residue 30 GLU Chi-restraints excluded: chain HE residue 45 MET Chi-restraints excluded: chain HF residue 35 GLU Chi-restraints excluded: chain HF residue 54 ASN Chi-restraints excluded: chain HF residue 59 SER Chi-restraints excluded: chain HF residue 67 ILE Chi-restraints excluded: chain HG residue 32 ASP Chi-restraints excluded: chain HG residue 47 ASN Chi-restraints excluded: chain HG residue 57 LEU Chi-restraints excluded: chain HH residue 47 LYS Chi-restraints excluded: chain HI residue 82 ASP Chi-restraints excluded: chain HJ residue 10 THR Chi-restraints excluded: chain HJ residue 59 SER Chi-restraints excluded: chain HK residue 39 ASP Chi-restraints excluded: chain HK residue 47 ASN Chi-restraints excluded: chain HK residue 52 MET Chi-restraints excluded: chain HL residue 3 GLU Chi-restraints excluded: chain HL residue 47 LYS Chi-restraints excluded: chain HL residue 81 ASN Chi-restraints excluded: chain HL residue 82 ASP Chi-restraints excluded: chain HM residue 30 GLU Chi-restraints excluded: chain HM residue 59 SER Chi-restraints excluded: chain HM residue 67 ILE Chi-restraints excluded: chain HN residue 59 SER Chi-restraints excluded: chain HN residue 67 ILE Chi-restraints excluded: chain HN residue 73 SER Chi-restraints excluded: chain HO residue 27 ILE Chi-restraints excluded: chain HP residue 65 LYS Chi-restraints excluded: chain HP residue 67 ILE Chi-restraints excluded: chain HS residue 25 LEU Chi-restraints excluded: chain HS residue 32 ASP Chi-restraints excluded: chain HT residue 65 LYS Chi-restraints excluded: chain HU residue 30 GLU Chi-restraints excluded: chain HV residue 54 ASN Chi-restraints excluded: chain HV residue 67 ILE Chi-restraints excluded: chain HW residue 32 ASP Chi-restraints excluded: chain HW residue 39 ASP Chi-restraints excluded: chain HX residue 3 GLU Chi-restraints excluded: chain HX residue 45 MET Chi-restraints excluded: chain HX residue 81 ASN Chi-restraints excluded: chain HX residue 82 ASP Chi-restraints excluded: chain HY residue 30 GLU Chi-restraints excluded: chain HY residue 67 ILE Chi-restraints excluded: chain HZ residue 3 GLU Chi-restraints excluded: chain HZ residue 59 SER Chi-restraints excluded: chain HZ residue 67 ILE Chi-restraints excluded: chain HZ residue 73 SER Chi-restraints excluded: chain IA residue 30 LEU Chi-restraints excluded: chain IA residue 47 ASN Chi-restraints excluded: chain IA residue 57 LEU Chi-restraints excluded: chain IB residue 47 LYS Chi-restraints excluded: chain IB residue 67 ILE Chi-restraints excluded: chain IB residue 82 ASP Chi-restraints excluded: chain ID residue 10 THR Chi-restraints excluded: chain ID residue 59 SER Chi-restraints excluded: chain ID residue 66 ARG Chi-restraints excluded: chain ID residue 67 ILE Chi-restraints excluded: chain IE residue 30 LEU Chi-restraints excluded: chain IE residue 32 ASP Chi-restraints excluded: chain IF residue 30 GLU Chi-restraints excluded: chain IF residue 39 SER Chi-restraints excluded: chain IF residue 45 MET Chi-restraints excluded: chain IG residue 67 ILE Chi-restraints excluded: chain IH residue 66 ARG Chi-restraints excluded: chain IJ residue 65 LYS Chi-restraints excluded: chain IK residue 30 GLU Chi-restraints excluded: chain IL residue 35 GLU Chi-restraints excluded: chain IL residue 54 ASN Chi-restraints excluded: chain IL residue 59 SER Chi-restraints excluded: chain IL residue 67 ILE Chi-restraints excluded: chain IM residue 32 ASP Chi-restraints excluded: chain IM residue 39 ASP Chi-restraints excluded: chain IN residue 3 GLU Chi-restraints excluded: chain IN residue 45 MET Chi-restraints excluded: chain IN residue 49 ASP Chi-restraints excluded: chain IN residue 82 ASP Chi-restraints excluded: chain IO residue 59 SER Chi-restraints excluded: chain IO residue 67 ILE Chi-restraints excluded: chain IP residue 67 ILE Chi-restraints excluded: chain IQ residue 32 ASP Chi-restraints excluded: chain IQ residue 57 LEU Chi-restraints excluded: chain IR residue 47 LYS Chi-restraints excluded: chain IR residue 67 ILE Chi-restraints excluded: chain IS residue 10 THR Chi-restraints excluded: chain IT residue 10 THR Chi-restraints excluded: chain IT residue 59 SER Chi-restraints excluded: chain IT residue 66 ARG Chi-restraints excluded: chain IT residue 67 ILE Chi-restraints excluded: chain IU residue 17 ASP Chi-restraints excluded: chain IU residue 25 LEU Chi-restraints excluded: chain IU residue 32 ASP Chi-restraints excluded: chain IU residue 47 ASN Chi-restraints excluded: chain IU residue 57 LEU Chi-restraints excluded: chain IW residue 30 GLU Chi-restraints excluded: chain IX residue 35 GLU Chi-restraints excluded: chain IX residue 54 ASN Chi-restraints excluded: chain IX residue 59 SER Chi-restraints excluded: chain IX residue 67 ILE Chi-restraints excluded: chain IY residue 30 LEU Chi-restraints excluded: chain IZ residue 45 MET Chi-restraints excluded: chain IZ residue 81 ASN Chi-restraints excluded: chain IZ residue 82 ASP Chi-restraints excluded: chain JA residue 67 ILE Chi-restraints excluded: chain JB residue 8 ILE Chi-restraints excluded: chain JD residue 59 SER Chi-restraints excluded: chain JD residue 65 LYS Chi-restraints excluded: chain JD residue 81 ASN Chi-restraints excluded: chain JE residue 67 ILE Chi-restraints excluded: chain JE residue 72 SER Chi-restraints excluded: chain JE residue 73 SER Chi-restraints excluded: chain JF residue 59 SER Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 624 optimal weight: 5.9990 chunk 1671 optimal weight: 3.9990 chunk 366 optimal weight: 7.9990 chunk 1089 optimal weight: 5.9990 chunk 458 optimal weight: 1.9990 chunk 1857 optimal weight: 10.0000 chunk 1542 optimal weight: 4.9990 chunk 860 optimal weight: 5.9990 chunk 154 optimal weight: 6.9990 chunk 614 optimal weight: 0.0870 chunk 975 optimal weight: 0.7980 overall best weight: 2.3764 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AM 53 HIS DO 53 HIS EG 81 ASN IA 53 HIS Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8270 moved from start: 0.3778 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.026 142200 Z= 0.187 Angle : 0.471 9.508 191940 Z= 0.262 Chirality : 0.041 0.145 23940 Planarity : 0.002 0.019 24720 Dihedral : 4.342 28.432 20400 Min Nonbonded Distance : 2.101 Molprobity Statistics. All-atom Clashscore : 4.92 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.62 % Favored : 98.38 % Rotamer: Outliers : 3.89 % Allowed : 24.24 % Favored : 71.87 % 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: 19140 helix: 2.24 (0.07), residues: 5940 sheet: 0.47 (0.07), residues: 6360 loop : -1.58 (0.07), residues: 6840 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.003 0.001 TRPDW 42 HIS 0.002 0.001 HISIM 9 PHE 0.005 0.001 PHEHO 62 TYR 0.015 0.001 TYRDY 34 ARG 0.004 0.000 ARGDP 66 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5274 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 565 poor density : 4709 time to evaluate : 12.134 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AB 3 GLU cc_start: 0.7618 (mm-30) cc_final: 0.7301 (mm-30) REVERT: AB 10 THR cc_start: 0.8847 (p) cc_final: 0.8512 (m) REVERT: AC 47 LYS cc_start: 0.8702 (ptmm) cc_final: 0.8370 (pttp) REVERT: AD 66 ARG cc_start: 0.7538 (OUTLIER) cc_final: 0.7336 (ptp90) REVERT: AG 47 LYS cc_start: 0.8662 (pttp) cc_final: 0.8426 (ptmm) REVERT: AH 54 ASN cc_start: 0.7959 (t0) cc_final: 0.7542 (m-40) REVERT: AI 47 ASN cc_start: 0.8560 (OUTLIER) cc_final: 0.8286 (m-40) REVERT: AJ 11 LYS cc_start: 0.8211 (tptp) cc_final: 0.7972 (tptp) REVERT: AJ 66 ARG cc_start: 0.8262 (ttm110) cc_final: 0.7963 (ttm-80) REVERT: AK 82 ASP cc_start: 0.7025 (m-30) cc_final: 0.6710 (m-30) REVERT: AL 54 ASN cc_start: 0.8013 (OUTLIER) cc_final: 0.7761 (m-40) REVERT: AN 3 GLU cc_start: 0.7636 (mm-30) cc_final: 0.7338 (mm-30) REVERT: AO 47 LYS cc_start: 0.8639 (ptmm) cc_final: 0.8363 (pttp) REVERT: AP 66 ARG cc_start: 0.7634 (OUTLIER) cc_final: 0.7406 (ttm170) REVERT: AR 66 ARG cc_start: 0.7989 (ttm-80) cc_final: 0.7633 (mtm-85) REVERT: AT 23 MET cc_start: 0.8253 (mtp) cc_final: 0.7992 (mtp) REVERT: AT 47 LYS cc_start: 0.8525 (ttpt) cc_final: 0.8241 (ttmt) REVERT: AT 54 ASN cc_start: 0.8426 (t0) cc_final: 0.8178 (m110) REVERT: AV 65 LYS cc_start: 0.8640 (OUTLIER) cc_final: 0.8353 (mtpp) REVERT: AW 11 LYS cc_start: 0.8491 (OUTLIER) cc_final: 0.7846 (ttpp) REVERT: AW 65 LYS cc_start: 0.8593 (ttmm) cc_final: 0.8336 (ttpp) REVERT: AY 47 ASN cc_start: 0.8549 (OUTLIER) cc_final: 0.8288 (m-40) REVERT: AZ 47 LYS cc_start: 0.8289 (OUTLIER) cc_final: 0.8088 (ptmm) REVERT: BD 3 GLU cc_start: 0.7629 (mm-30) cc_final: 0.7316 (mm-30) REVERT: BF 47 LYS cc_start: 0.8013 (ttmt) cc_final: 0.7729 (tptt) REVERT: BF 66 ARG cc_start: 0.7634 (OUTLIER) cc_final: 0.7240 (ptp90) REVERT: BF 82 ASP cc_start: 0.8259 (m-30) cc_final: 0.8029 (m-30) REVERT: BH 66 ARG cc_start: 0.8224 (ttm110) cc_final: 0.7899 (mtm-85) REVERT: BJ 23 MET cc_start: 0.8233 (mtp) cc_final: 0.7966 (mtp) REVERT: BJ 47 LYS cc_start: 0.8537 (ttpt) cc_final: 0.8292 (ttmt) REVERT: BJ 65 LYS cc_start: 0.8664 (ttmm) cc_final: 0.8396 (ttmm) REVERT: BL 65 LYS cc_start: 0.8583 (OUTLIER) cc_final: 0.8295 (mtpp) REVERT: BM 3 GLU cc_start: 0.7513 (mt-10) cc_final: 0.7199 (mt-10) REVERT: BM 82 ASP cc_start: 0.7223 (m-30) cc_final: 0.6967 (m-30) REVERT: BN 47 LYS cc_start: 0.8751 (ttpt) cc_final: 0.8452 (tttp) REVERT: BN 54 ASN cc_start: 0.8018 (OUTLIER) cc_final: 0.7776 (m-40) REVERT: BN 85 LYS cc_start: 0.8080 (pttp) cc_final: 0.7840 (pttp) REVERT: BP 65 LYS cc_start: 0.8627 (OUTLIER) cc_final: 0.8271 (mttm) REVERT: BP 67 ILE cc_start: 0.8779 (pt) cc_final: 0.8478 (pt) REVERT: BQ 65 LYS cc_start: 0.8601 (ttmm) cc_final: 0.8286 (ttpp) REVERT: BT 34 TYR cc_start: 0.8635 (m-80) cc_final: 0.8319 (m-80) REVERT: BZ 47 LYS cc_start: 0.8687 (ttpt) cc_final: 0.8318 (ttmt) REVERT: BZ 86 ILE cc_start: 0.8081 (mm) cc_final: 0.7413 (mt) REVERT: CA 47 ASN cc_start: 0.8559 (OUTLIER) cc_final: 0.8294 (m-40) REVERT: CB 11 LYS cc_start: 0.8347 (tptp) cc_final: 0.8064 (tptp) REVERT: CC 82 ASP cc_start: 0.6978 (m-30) cc_final: 0.6699 (m-30) REVERT: CF 65 LYS cc_start: 0.8632 (OUTLIER) cc_final: 0.8349 (mtpp) REVERT: CF 67 ILE cc_start: 0.8762 (pt) cc_final: 0.8501 (pt) REVERT: CF 83 ILE cc_start: 0.7130 (OUTLIER) cc_final: 0.6922 (mp) REVERT: CL 47 LYS cc_start: 0.8614 (ttpt) cc_final: 0.8292 (ttmt) REVERT: CP 78 ARG cc_start: 0.8240 (OUTLIER) cc_final: 0.8010 (ptp-110) REVERT: CQ 18 GLU cc_start: 0.7236 (tt0) cc_final: 0.7027 (tt0) REVERT: CQ 38 LYS cc_start: 0.8460 (ttpp) cc_final: 0.8182 (tttm) REVERT: CR 3 GLU cc_start: 0.7611 (mm-30) cc_final: 0.7302 (mm-30) REVERT: CR 10 THR cc_start: 0.8843 (p) cc_final: 0.8501 (m) REVERT: CT 66 ARG cc_start: 0.7599 (OUTLIER) cc_final: 0.7298 (ptp90) REVERT: CW 65 LYS cc_start: 0.8593 (ttmm) cc_final: 0.8372 (ttpp) REVERT: DB 23 MET cc_start: 0.8208 (mtp) cc_final: 0.7933 (mtp) REVERT: DB 47 LYS cc_start: 0.8553 (ttpt) cc_final: 0.8268 (ttmt) REVERT: DB 54 ASN cc_start: 0.8401 (t0) cc_final: 0.8193 (m110) REVERT: DB 65 LYS cc_start: 0.8657 (ttmm) cc_final: 0.8443 (ttmm) REVERT: DD 10 THR cc_start: 0.8881 (p) cc_final: 0.8609 (m) REVERT: DD 34 TYR cc_start: 0.8640 (m-80) cc_final: 0.8319 (m-80) REVERT: DF 54 ASN cc_start: 0.8063 (OUTLIER) cc_final: 0.7825 (m-40) REVERT: DH 65 LYS cc_start: 0.8607 (OUTLIER) cc_final: 0.8305 (mtpp) REVERT: DH 83 ILE cc_start: 0.7060 (OUTLIER) cc_final: 0.6792 (mp) REVERT: DJ 66 ARG cc_start: 0.7546 (ttp-170) cc_final: 0.7331 (ttm-80) REVERT: DM 3 GLU cc_start: 0.7558 (OUTLIER) cc_final: 0.7251 (mt-10) REVERT: DM 47 LYS cc_start: 0.8664 (ptmm) cc_final: 0.8389 (pttp) REVERT: DM 82 ASP cc_start: 0.7556 (m-30) cc_final: 0.7343 (m-30) REVERT: DO 47 ASN cc_start: 0.8561 (OUTLIER) cc_final: 0.8303 (m-40) REVERT: DP 11 LYS cc_start: 0.8217 (tptp) cc_final: 0.7966 (tptp) REVERT: DR 54 ASN cc_start: 0.8013 (OUTLIER) cc_final: 0.7786 (m-40) REVERT: DT 10 THR cc_start: 0.8889 (p) cc_final: 0.8610 (m) REVERT: DT 34 TYR cc_start: 0.8615 (m-80) cc_final: 0.8259 (m-80) REVERT: DV 66 ARG cc_start: 0.7585 (ttm170) cc_final: 0.7185 (ttp-170) REVERT: DX 65 LYS cc_start: 0.8621 (OUTLIER) cc_final: 0.8306 (mttm) REVERT: DX 67 ILE cc_start: 0.8634 (pt) cc_final: 0.8375 (pt) REVERT: EC 82 ASP cc_start: 0.7483 (m-30) cc_final: 0.7241 (m-30) REVERT: ED 66 ARG cc_start: 0.7439 (ttp-170) cc_final: 0.7018 (ptp90) REVERT: ED 82 ASP cc_start: 0.8260 (m-30) cc_final: 0.8019 (m-30) REVERT: EF 10 THR cc_start: 0.8867 (p) cc_final: 0.8583 (m) REVERT: EF 66 ARG cc_start: 0.7989 (ttm-80) cc_final: 0.7705 (mtm-85) REVERT: EG 47 LYS cc_start: 0.8651 (pttp) cc_final: 0.8420 (ptmm) REVERT: EJ 11 LYS cc_start: 0.8340 (tptp) cc_final: 0.8073 (tptp) REVERT: EK 82 ASP cc_start: 0.7309 (m-30) cc_final: 0.7043 (m-30) REVERT: EM 60 GLU cc_start: 0.7081 (mp0) cc_final: 0.6780 (mp0) REVERT: EN 66 ARG cc_start: 0.8137 (ttm110) cc_final: 0.7741 (mtm-85) REVERT: EP 65 LYS cc_start: 0.8679 (ttmm) cc_final: 0.8476 (ttmm) REVERT: EQ 38 LYS cc_start: 0.8448 (ttpp) cc_final: 0.8193 (tttm) REVERT: ES 47 LYS cc_start: 0.8665 (ptmm) cc_final: 0.8403 (pttp) REVERT: EV 11 LYS cc_start: 0.8349 (tptp) cc_final: 0.8104 (tptp) REVERT: EW 82 ASP cc_start: 0.7250 (m-30) cc_final: 0.6992 (m-30) REVERT: EZ 10 THR cc_start: 0.8913 (p) cc_final: 0.8615 (m) REVERT: EZ 34 TYR cc_start: 0.8641 (m-80) cc_final: 0.8293 (m-80) REVERT: EZ 66 ARG cc_start: 0.8095 (ttm110) cc_final: 0.7883 (mtm-85) REVERT: FB 78 ARG cc_start: 0.8271 (OUTLIER) cc_final: 0.8023 (ptp-110) REVERT: FD 3 GLU cc_start: 0.7636 (mm-30) cc_final: 0.7315 (mm-30) REVERT: FD 10 THR cc_start: 0.8818 (p) cc_final: 0.8487 (m) REVERT: FF 9 GLU cc_start: 0.8218 (tt0) cc_final: 0.7960 (tt0) REVERT: FF 66 ARG cc_start: 0.7615 (OUTLIER) cc_final: 0.7227 (ptp90) REVERT: FH 65 LYS cc_start: 0.8618 (OUTLIER) cc_final: 0.8221 (mttm) REVERT: FJ 66 ARG cc_start: 0.7631 (ttp-170) cc_final: 0.7343 (mtm-85) REVERT: FN 23 MET cc_start: 0.8254 (mtp) cc_final: 0.8007 (mtp) REVERT: FN 47 LYS cc_start: 0.8653 (ttpt) cc_final: 0.8330 (ttmm) REVERT: FP 10 THR cc_start: 0.8878 (p) cc_final: 0.8589 (m) REVERT: FT 3 GLU cc_start: 0.7631 (mm-30) cc_final: 0.7304 (mm-30) REVERT: FU 47 LYS cc_start: 0.8681 (ptmm) cc_final: 0.8380 (pttp) REVERT: FV 9 GLU cc_start: 0.8207 (tt0) cc_final: 0.7942 (tt0) REVERT: FV 66 ARG cc_start: 0.7678 (OUTLIER) cc_final: 0.7367 (ttm170) REVERT: FX 65 LYS cc_start: 0.8614 (OUTLIER) cc_final: 0.8332 (mtpp) REVERT: FY 65 LYS cc_start: 0.8599 (ttmm) cc_final: 0.8365 (ttpp) REVERT: GB 10 THR cc_start: 0.8735 (p) cc_final: 0.8510 (m) REVERT: GB 66 ARG cc_start: 0.7942 (ttm-80) cc_final: 0.7677 (mtm-85) REVERT: GF 66 ARG cc_start: 0.8068 (ttm110) cc_final: 0.7736 (mtm-85) REVERT: GH 47 LYS cc_start: 0.8640 (ttpt) cc_final: 0.8346 (ttmt) REVERT: GI 30 LEU cc_start: 0.9093 (OUTLIER) cc_final: 0.8760 (pp) REVERT: GL 54 ASN cc_start: 0.8062 (OUTLIER) cc_final: 0.7852 (m-40) REVERT: GN 65 LYS cc_start: 0.8628 (OUTLIER) cc_final: 0.8294 (mttm) REVERT: GO 11 LYS cc_start: 0.8446 (OUTLIER) cc_final: 0.7829 (ttpp) REVERT: GO 82 ASP cc_start: 0.7414 (m-30) cc_final: 0.7187 (m-30) REVERT: GS 47 LYS cc_start: 0.8660 (pttp) cc_final: 0.8422 (ptmm) REVERT: GV 66 ARG cc_start: 0.7993 (ttm110) cc_final: 0.7714 (mtm-85) REVERT: GX 47 LYS cc_start: 0.8682 (ttpt) cc_final: 0.8276 (ttmt) REVERT: GX 54 ASN cc_start: 0.8369 (OUTLIER) cc_final: 0.8127 (m110) REVERT: GX 85 LYS cc_start: 0.7999 (pttp) cc_final: 0.7715 (pttp) REVERT: GX 86 ILE cc_start: 0.8156 (mm) cc_final: 0.7417 (mt) REVERT: GZ 65 LYS cc_start: 0.8640 (OUTLIER) cc_final: 0.8371 (mtpp) REVERT: HE 82 ASP cc_start: 0.7009 (m-30) cc_final: 0.6733 (m-30) REVERT: HF 54 ASN cc_start: 0.7979 (OUTLIER) cc_final: 0.7761 (m-40) REVERT: HH 3 GLU cc_start: 0.7627 (mm-30) cc_final: 0.7355 (mm-30) REVERT: HN 23 MET cc_start: 0.8237 (mtp) cc_final: 0.8014 (mtp) REVERT: HN 47 LYS cc_start: 0.8561 (ttpt) cc_final: 0.8262 (ttmt) REVERT: HN 66 ARG cc_start: 0.7676 (ttm170) cc_final: 0.7425 (ttp-170) REVERT: HO 52 MET cc_start: 0.8437 (mmm) cc_final: 0.8211 (mmm) REVERT: HP 65 LYS cc_start: 0.8654 (OUTLIER) cc_final: 0.8357 (mtpp) REVERT: HT 11 LYS cc_start: 0.8280 (tptp) cc_final: 0.7985 (tptp) REVERT: HV 54 ASN cc_start: 0.8005 (OUTLIER) cc_final: 0.7790 (m-40) REVERT: HW 18 GLU cc_start: 0.7311 (tt0) cc_final: 0.7089 (tt0) REVERT: HW 60 GLU cc_start: 0.6866 (mm-30) cc_final: 0.6420 (mp0) REVERT: HZ 23 MET cc_start: 0.8243 (mtp) cc_final: 0.8002 (mtp) REVERT: HZ 47 LYS cc_start: 0.8646 (ttpt) cc_final: 0.8355 (ttmt) REVERT: HZ 66 ARG cc_start: 0.7441 (ttm110) cc_final: 0.7203 (ttp-170) REVERT: IB 3 GLU cc_start: 0.7645 (mm-30) cc_final: 0.7341 (mm-30) REVERT: IB 10 THR cc_start: 0.8814 (p) cc_final: 0.8495 (m) REVERT: IC 47 LYS cc_start: 0.8662 (ptmm) cc_final: 0.8330 (pttp) REVERT: ID 66 ARG cc_start: 0.7608 (OUTLIER) cc_final: 0.7235 (ptp90) REVERT: IF 10 THR cc_start: 0.8843 (p) cc_final: 0.8603 (m) REVERT: IF 47 LYS cc_start: 0.8398 (ptmt) cc_final: 0.8070 (ttpt) REVERT: IH 54 ASN cc_start: 0.8007 (t0) cc_final: 0.7597 (m-40) REVERT: IH 66 ARG cc_start: 0.7687 (OUTLIER) cc_final: 0.7442 (ttp-170) REVERT: II 30 LEU cc_start: 0.9093 (OUTLIER) cc_final: 0.8724 (pp) REVERT: IK 82 ASP cc_start: 0.6989 (m-30) cc_final: 0.6720 (m-30) REVERT: IL 54 ASN cc_start: 0.8003 (OUTLIER) cc_final: 0.7773 (m-40) REVERT: IL 86 ILE cc_start: 0.8232 (mm) cc_final: 0.8009 (mt) REVERT: IN 66 ARG cc_start: 0.7871 (mtm-85) cc_final: 0.7607 (mtt180) REVERT: IP 47 LYS cc_start: 0.8676 (ttpt) cc_final: 0.8373 (ttmt) REVERT: IR 3 GLU cc_start: 0.7623 (mm-30) cc_final: 0.7317 (mm-30) REVERT: IR 10 THR cc_start: 0.8838 (p) cc_final: 0.8500 (m) REVERT: IS 47 LYS cc_start: 0.8646 (ptmm) cc_final: 0.8327 (pttp) REVERT: IT 9 GLU cc_start: 0.8163 (tt0) cc_final: 0.7925 (tt0) REVERT: IT 66 ARG cc_start: 0.7705 (OUTLIER) cc_final: 0.7367 (ptp90) REVERT: IU 47 ASN cc_start: 0.8570 (OUTLIER) cc_final: 0.8284 (m-40) REVERT: IV 54 ASN cc_start: 0.8525 (t0) cc_final: 0.8319 (m-40) REVERT: IW 82 ASP cc_start: 0.7279 (m-30) cc_final: 0.7021 (m-30) REVERT: IX 54 ASN cc_start: 0.7952 (OUTLIER) cc_final: 0.7733 (m-40) REVERT: IZ 10 THR cc_start: 0.8727 (p) cc_final: 0.8503 (m) REVERT: IZ 66 ARG cc_start: 0.7946 (ttm-80) cc_final: 0.7690 (mtm-85) REVERT: JB 54 ASN cc_start: 0.8048 (OUTLIER) cc_final: 0.7815 (m-40) REVERT: JD 3 GLU cc_start: 0.7615 (mm-30) cc_final: 0.7367 (mm-30) REVERT: JD 65 LYS cc_start: 0.8630 (OUTLIER) cc_final: 0.8265 (mttm) REVERT: JD 67 ILE cc_start: 0.8614 (pt) cc_final: 0.8343 (pt) REVERT: JF 9 GLU cc_start: 0.8405 (tt0) cc_final: 0.8089 (tt0) outliers start: 565 outliers final: 444 residues processed: 4913 average time/residue: 1.3057 time to fit residues: 10851.9721 Evaluate side-chains 5120 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 491 poor density : 4629 time to evaluate : 10.606 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 32 ASP Chi-restraints excluded: chain AA residue 47 ASN Chi-restraints excluded: chain AA residue 57 LEU Chi-restraints excluded: chain AB residue 47 LYS Chi-restraints excluded: chain AB residue 49 ASP Chi-restraints excluded: chain AD residue 10 THR Chi-restraints excluded: chain AD residue 59 SER Chi-restraints excluded: chain AD residue 66 ARG Chi-restraints excluded: chain AD residue 67 ILE Chi-restraints excluded: chain AE residue 30 LEU Chi-restraints excluded: chain AE residue 32 ASP Chi-restraints excluded: chain AF residue 45 MET Chi-restraints excluded: chain AF residue 47 LYS Chi-restraints excluded: chain AF residue 81 ASN Chi-restraints excluded: chain AG residue 67 ILE Chi-restraints excluded: chain AI residue 25 LEU Chi-restraints excluded: chain AI residue 32 ASP Chi-restraints excluded: chain AI residue 47 ASN Chi-restraints excluded: chain AI residue 57 LEU Chi-restraints excluded: chain AJ residue 47 LYS Chi-restraints excluded: chain AJ residue 50 VAL Chi-restraints excluded: chain AJ residue 81 ASN Chi-restraints excluded: chain AJ residue 82 ASP Chi-restraints excluded: chain AK residue 35 GLU Chi-restraints excluded: chain AL residue 35 GLU Chi-restraints excluded: chain AL residue 54 ASN Chi-restraints excluded: chain AL residue 59 SER Chi-restraints excluded: chain AL residue 67 ILE Chi-restraints excluded: chain AM residue 30 LEU Chi-restraints excluded: chain AM residue 47 ASN Chi-restraints excluded: chain AM residue 57 LEU Chi-restraints excluded: chain AN residue 47 LYS Chi-restraints excluded: chain AO residue 65 LYS Chi-restraints excluded: chain AO residue 82 ASP Chi-restraints excluded: chain AP residue 10 THR Chi-restraints excluded: chain AP residue 59 SER Chi-restraints excluded: chain AP residue 66 ARG Chi-restraints excluded: chain AP residue 67 ILE Chi-restraints excluded: chain AQ residue 32 ASP Chi-restraints excluded: chain AQ residue 39 ASP Chi-restraints excluded: chain AR residue 3 GLU Chi-restraints excluded: chain AR residue 45 MET Chi-restraints excluded: chain AR residue 49 ASP Chi-restraints excluded: chain AR residue 81 ASN Chi-restraints excluded: chain AR residue 82 ASP Chi-restraints excluded: chain AS residue 30 GLU Chi-restraints excluded: chain AS residue 59 SER Chi-restraints excluded: chain AS residue 67 ILE Chi-restraints excluded: chain AT residue 73 SER Chi-restraints excluded: chain AV residue 59 SER Chi-restraints excluded: chain AV residue 61 VAL Chi-restraints excluded: chain AV residue 65 LYS Chi-restraints excluded: chain AW residue 11 LYS Chi-restraints excluded: chain AW residue 67 ILE Chi-restraints excluded: chain AX residue 59 SER Chi-restraints excluded: chain AY residue 32 ASP Chi-restraints excluded: chain AY residue 47 ASN Chi-restraints excluded: chain AY residue 57 LEU Chi-restraints excluded: chain AZ residue 47 LYS Chi-restraints excluded: chain BA residue 30 GLU Chi-restraints excluded: chain BA residue 35 GLU Chi-restraints excluded: chain BB residue 35 GLU Chi-restraints excluded: chain BB residue 59 SER Chi-restraints excluded: chain BB residue 67 ILE Chi-restraints excluded: chain BC residue 30 LEU Chi-restraints excluded: chain BC residue 32 ASP Chi-restraints excluded: chain BC residue 57 LEU Chi-restraints excluded: chain BC residue 60 GLU Chi-restraints excluded: chain BD residue 7 LEU Chi-restraints excluded: chain BD residue 47 LYS Chi-restraints excluded: chain BD residue 49 ASP Chi-restraints excluded: chain BE residue 65 LYS Chi-restraints excluded: chain BF residue 10 THR Chi-restraints excluded: chain BF residue 59 SER Chi-restraints excluded: chain BF residue 66 ARG Chi-restraints excluded: chain BF residue 67 ILE Chi-restraints excluded: chain BG residue 39 ASP Chi-restraints excluded: chain BG residue 47 ASN Chi-restraints excluded: chain BH residue 3 GLU Chi-restraints excluded: chain BH residue 10 THR Chi-restraints excluded: chain BH residue 49 ASP Chi-restraints excluded: chain BH residue 59 SER Chi-restraints excluded: chain BH residue 81 ASN Chi-restraints excluded: chain BH residue 82 ASP Chi-restraints excluded: chain BI residue 30 GLU Chi-restraints excluded: chain BI residue 67 ILE Chi-restraints excluded: chain BJ residue 67 ILE Chi-restraints excluded: chain BK residue 17 ASP Chi-restraints excluded: chain BK residue 32 ASP Chi-restraints excluded: chain BK residue 57 LEU Chi-restraints excluded: chain BL residue 47 LYS Chi-restraints excluded: chain BL residue 50 VAL Chi-restraints excluded: chain BL residue 65 LYS Chi-restraints excluded: chain BM residue 30 GLU Chi-restraints excluded: chain BM residue 45 MET Chi-restraints excluded: chain BN residue 35 GLU Chi-restraints excluded: chain BN residue 54 ASN Chi-restraints excluded: chain BN residue 59 SER Chi-restraints excluded: chain BP residue 65 LYS Chi-restraints excluded: chain BQ residue 67 ILE Chi-restraints excluded: chain BR residue 59 SER Chi-restraints excluded: chain BS residue 30 LEU Chi-restraints excluded: chain BT residue 45 MET Chi-restraints excluded: chain BT residue 47 LYS Chi-restraints excluded: chain BV residue 8 ILE Chi-restraints excluded: chain BV residue 35 GLU Chi-restraints excluded: chain BV residue 59 SER Chi-restraints excluded: chain BW residue 32 ASP Chi-restraints excluded: chain BW residue 47 ASN Chi-restraints excluded: chain BX residue 3 GLU Chi-restraints excluded: chain BX residue 45 MET Chi-restraints excluded: chain BX residue 49 ASP Chi-restraints excluded: chain BX residue 59 SER Chi-restraints excluded: chain BX residue 82 ASP Chi-restraints excluded: chain BY residue 7 LEU Chi-restraints excluded: chain BY residue 30 GLU Chi-restraints excluded: chain BY residue 59 SER Chi-restraints excluded: chain BY residue 67 ILE Chi-restraints excluded: chain BZ residue 59 SER Chi-restraints excluded: chain BZ residue 67 ILE Chi-restraints excluded: chain CA residue 32 ASP Chi-restraints excluded: chain CA residue 47 ASN Chi-restraints excluded: chain CA residue 57 LEU Chi-restraints excluded: chain CB residue 50 VAL Chi-restraints excluded: chain CB residue 81 ASN Chi-restraints excluded: chain CB residue 82 ASP Chi-restraints excluded: chain CC residue 30 GLU Chi-restraints excluded: chain CD residue 35 GLU Chi-restraints excluded: chain CD residue 59 SER Chi-restraints excluded: chain CD residue 67 ILE Chi-restraints excluded: chain CE residue 27 ILE Chi-restraints excluded: chain CF residue 47 LYS Chi-restraints excluded: chain CF residue 65 LYS Chi-restraints excluded: chain CF residue 83 ILE Chi-restraints excluded: chain CG residue 67 ILE Chi-restraints excluded: chain CH residue 59 SER Chi-restraints excluded: chain CI residue 32 ASP Chi-restraints excluded: chain CI residue 39 ASP Chi-restraints excluded: chain CJ residue 3 GLU Chi-restraints excluded: chain CJ residue 49 ASP Chi-restraints excluded: chain CJ residue 59 SER Chi-restraints excluded: chain CJ residue 81 ASN Chi-restraints excluded: chain CJ residue 82 ASP Chi-restraints excluded: chain CK residue 7 LEU Chi-restraints excluded: chain CK residue 30 GLU Chi-restraints excluded: chain CK residue 59 SER Chi-restraints excluded: chain CK residue 67 ILE Chi-restraints excluded: chain CL residue 67 ILE Chi-restraints excluded: chain CL residue 73 SER Chi-restraints excluded: chain CM residue 30 LEU Chi-restraints excluded: chain CM residue 32 ASP Chi-restraints excluded: chain CN residue 45 MET Chi-restraints excluded: chain CN residue 47 LYS Chi-restraints excluded: chain CP residue 78 ARG Chi-restraints excluded: chain CQ residue 32 ASP Chi-restraints excluded: chain CQ residue 57 LEU Chi-restraints excluded: chain CR residue 47 LYS Chi-restraints excluded: chain CT residue 10 THR Chi-restraints excluded: chain CT residue 59 SER Chi-restraints excluded: chain CT residue 66 ARG Chi-restraints excluded: chain CT residue 67 ILE Chi-restraints excluded: chain CU residue 27 ILE Chi-restraints excluded: chain CV residue 47 LYS Chi-restraints excluded: chain CV residue 65 LYS Chi-restraints excluded: chain CW residue 67 ILE Chi-restraints excluded: chain CX residue 59 SER Chi-restraints excluded: chain CY residue 39 ASP Chi-restraints excluded: chain CY residue 47 ASN Chi-restraints excluded: chain CZ residue 3 GLU Chi-restraints excluded: chain CZ residue 10 THR Chi-restraints excluded: chain CZ residue 59 SER Chi-restraints excluded: chain DA residue 59 SER Chi-restraints excluded: chain DB residue 73 SER Chi-restraints excluded: chain DC residue 30 LEU Chi-restraints excluded: chain DC residue 32 ASP Chi-restraints excluded: chain DD residue 45 MET Chi-restraints excluded: chain DD residue 47 LYS Chi-restraints excluded: chain DD residue 81 ASN Chi-restraints excluded: chain DE residue 67 ILE Chi-restraints excluded: chain DF residue 8 ILE Chi-restraints excluded: chain DF residue 54 ASN Chi-restraints excluded: chain DF residue 59 SER Chi-restraints excluded: chain DG residue 30 LEU Chi-restraints excluded: chain DG residue 60 GLU Chi-restraints excluded: chain DH residue 18 GLU Chi-restraints excluded: chain DH residue 65 LYS Chi-restraints excluded: chain DH residue 81 ASN Chi-restraints excluded: chain DH residue 83 ILE Chi-restraints excluded: chain DI residue 67 ILE Chi-restraints excluded: chain DK residue 32 ASP Chi-restraints excluded: chain DK residue 57 LEU Chi-restraints excluded: chain DK residue 60 GLU Chi-restraints excluded: chain DL residue 47 LYS Chi-restraints excluded: chain DL residue 67 ILE Chi-restraints excluded: chain DM residue 3 GLU Chi-restraints excluded: chain DM residue 65 LYS Chi-restraints excluded: chain DN residue 10 THR Chi-restraints excluded: chain DN residue 59 SER Chi-restraints excluded: chain DO residue 17 ASP Chi-restraints excluded: chain DO residue 47 ASN Chi-restraints excluded: chain DO residue 57 LEU Chi-restraints excluded: chain DQ residue 30 GLU Chi-restraints excluded: chain DR residue 54 ASN Chi-restraints excluded: chain DR residue 59 SER Chi-restraints excluded: chain DR residue 67 ILE Chi-restraints excluded: chain DS residue 30 LEU Chi-restraints excluded: chain DS residue 32 ASP Chi-restraints excluded: chain DT residue 45 MET Chi-restraints excluded: chain DT residue 47 LYS Chi-restraints excluded: chain DU residue 67 ILE Chi-restraints excluded: chain DV residue 59 SER Chi-restraints excluded: chain DX residue 65 LYS Chi-restraints excluded: chain DY residue 67 ILE Chi-restraints excluded: chain DZ residue 59 SER Chi-restraints excluded: chain EA residue 5 LYS Chi-restraints excluded: chain EA residue 47 ASN Chi-restraints excluded: chain EA residue 57 LEU Chi-restraints excluded: chain EA residue 80 LYS Chi-restraints excluded: chain EB residue 7 LEU Chi-restraints excluded: chain EB residue 47 LYS Chi-restraints excluded: chain ED residue 10 THR Chi-restraints excluded: chain ED residue 59 SER Chi-restraints excluded: chain EE residue 30 LEU Chi-restraints excluded: chain EF residue 45 MET Chi-restraints excluded: chain EF residue 47 LYS Chi-restraints excluded: chain EF residue 81 ASN Chi-restraints excluded: chain EG residue 67 ILE Chi-restraints excluded: chain EH residue 8 ILE Chi-restraints excluded: chain EH residue 35 GLU Chi-restraints excluded: chain EI residue 25 LEU Chi-restraints excluded: chain EI residue 32 ASP Chi-restraints excluded: chain EI residue 57 LEU Chi-restraints excluded: chain EJ residue 50 VAL Chi-restraints excluded: chain EJ residue 81 ASN Chi-restraints excluded: chain EJ residue 82 ASP Chi-restraints excluded: chain EK residue 30 GLU Chi-restraints excluded: chain EL residue 35 GLU Chi-restraints excluded: chain EL residue 67 ILE Chi-restraints excluded: chain EM residue 32 ASP Chi-restraints excluded: chain EN residue 3 GLU Chi-restraints excluded: chain EN residue 45 MET Chi-restraints excluded: chain EN residue 49 ASP Chi-restraints excluded: chain EN residue 69 LYS Chi-restraints excluded: chain EN residue 82 ASP Chi-restraints excluded: chain EO residue 30 GLU Chi-restraints excluded: chain EO residue 59 SER Chi-restraints excluded: chain EO residue 67 ILE Chi-restraints excluded: chain EP residue 3 GLU Chi-restraints excluded: chain EP residue 59 SER Chi-restraints excluded: chain EQ residue 47 ASN Chi-restraints excluded: chain EQ residue 57 LEU Chi-restraints excluded: chain EQ residue 60 GLU Chi-restraints excluded: chain ER residue 7 LEU Chi-restraints excluded: chain ER residue 47 LYS Chi-restraints excluded: chain ER residue 49 ASP Chi-restraints excluded: chain ER residue 67 ILE Chi-restraints excluded: chain ET residue 10 THR Chi-restraints excluded: chain ET residue 59 SER Chi-restraints excluded: chain ET residue 67 ILE Chi-restraints excluded: chain EU residue 17 ASP Chi-restraints excluded: chain EU residue 57 LEU Chi-restraints excluded: chain EV residue 47 LYS Chi-restraints excluded: chain EW residue 30 GLU Chi-restraints excluded: chain EX residue 59 SER Chi-restraints excluded: chain EX residue 67 ILE Chi-restraints excluded: chain EY residue 30 LEU Chi-restraints excluded: chain EZ residue 45 MET Chi-restraints excluded: chain EZ residue 47 LYS Chi-restraints excluded: chain FB residue 8 ILE Chi-restraints excluded: chain FB residue 59 SER Chi-restraints excluded: chain FB residue 78 ARG Chi-restraints excluded: chain FC residue 57 LEU Chi-restraints excluded: chain FD residue 47 LYS Chi-restraints excluded: chain FD residue 49 ASP Chi-restraints excluded: chain FF residue 10 THR Chi-restraints excluded: chain FF residue 59 SER Chi-restraints excluded: chain FF residue 66 ARG Chi-restraints excluded: chain FF residue 67 ILE Chi-restraints excluded: chain FG residue 16 CYS Chi-restraints excluded: chain FG residue 17 ASP Chi-restraints excluded: chain FG residue 27 ILE Chi-restraints excluded: chain FH residue 65 LYS Chi-restraints excluded: chain FH residue 81 ASN Chi-restraints excluded: chain FI residue 67 ILE Chi-restraints excluded: chain FJ residue 78 ARG Chi-restraints excluded: chain FK residue 32 ASP Chi-restraints excluded: chain FL residue 3 GLU Chi-restraints excluded: chain FL residue 45 MET Chi-restraints excluded: chain FL residue 49 ASP Chi-restraints excluded: chain FL residue 81 ASN Chi-restraints excluded: chain FL residue 82 ASP Chi-restraints excluded: chain FM residue 30 GLU Chi-restraints excluded: chain FM residue 67 ILE Chi-restraints excluded: chain FN residue 3 GLU Chi-restraints excluded: chain FN residue 59 SER Chi-restraints excluded: chain FN residue 67 ILE Chi-restraints excluded: chain FN residue 73 SER Chi-restraints excluded: chain FN residue 85 LYS Chi-restraints excluded: chain FO residue 30 LEU Chi-restraints excluded: chain FO residue 32 ASP Chi-restraints excluded: chain FO residue 80 LYS Chi-restraints excluded: chain FP residue 45 MET Chi-restraints excluded: chain FP residue 47 LYS Chi-restraints excluded: chain FQ residue 67 ILE Chi-restraints excluded: chain FR residue 8 ILE Chi-restraints excluded: chain FR residue 35 GLU Chi-restraints excluded: chain FS residue 57 LEU Chi-restraints excluded: chain FT residue 47 LYS Chi-restraints excluded: chain FT residue 49 ASP Chi-restraints excluded: chain FT residue 67 ILE Chi-restraints excluded: chain FU residue 65 LYS Chi-restraints excluded: chain FV residue 10 THR Chi-restraints excluded: chain FV residue 59 SER Chi-restraints excluded: chain FV residue 66 ARG Chi-restraints excluded: chain FV residue 67 ILE Chi-restraints excluded: chain FW residue 27 ILE Chi-restraints excluded: chain FX residue 65 LYS Chi-restraints excluded: chain FY residue 67 ILE Chi-restraints excluded: chain FZ residue 59 SER Chi-restraints excluded: chain GA residue 30 LEU Chi-restraints excluded: chain GA residue 80 LYS Chi-restraints excluded: chain GB residue 45 MET Chi-restraints excluded: chain GB residue 47 LYS Chi-restraints excluded: chain GD residue 8 ILE Chi-restraints excluded: chain GD residue 35 GLU Chi-restraints excluded: chain GE residue 32 ASP Chi-restraints excluded: chain GE residue 39 ASP Chi-restraints excluded: chain GF residue 3 GLU Chi-restraints excluded: chain GF residue 49 ASP Chi-restraints excluded: chain GF residue 81 ASN Chi-restraints excluded: chain GG residue 30 GLU Chi-restraints excluded: chain GG residue 67 ILE Chi-restraints excluded: chain GH residue 67 ILE Chi-restraints excluded: chain GI residue 25 LEU Chi-restraints excluded: chain GI residue 30 LEU Chi-restraints excluded: chain GJ residue 47 LYS Chi-restraints excluded: chain GJ residue 81 ASN Chi-restraints excluded: chain GJ residue 82 ASP Chi-restraints excluded: chain GK residue 30 GLU Chi-restraints excluded: chain GK residue 45 MET Chi-restraints excluded: chain GL residue 35 GLU Chi-restraints excluded: chain GL residue 54 ASN Chi-restraints excluded: chain GL residue 59 SER Chi-restraints excluded: chain GL residue 67 ILE Chi-restraints excluded: chain GM residue 27 ILE Chi-restraints excluded: chain GN residue 47 LYS Chi-restraints excluded: chain GN residue 65 LYS Chi-restraints excluded: chain GN residue 81 ASN Chi-restraints excluded: chain GO residue 11 LYS Chi-restraints excluded: chain GO residue 67 ILE Chi-restraints excluded: chain GP residue 59 SER Chi-restraints excluded: chain GQ residue 16 CYS Chi-restraints excluded: chain GQ residue 30 LEU Chi-restraints excluded: chain GQ residue 32 ASP Chi-restraints excluded: chain GQ residue 80 LYS Chi-restraints excluded: chain GR residue 45 MET Chi-restraints excluded: chain GR residue 47 LYS Chi-restraints excluded: chain GR residue 81 ASN Chi-restraints excluded: chain GS residue 67 ILE Chi-restraints excluded: chain GT residue 8 ILE Chi-restraints excluded: chain GT residue 59 SER Chi-restraints excluded: chain GU residue 39 ASP Chi-restraints excluded: chain GV residue 3 GLU Chi-restraints excluded: chain GV residue 45 MET Chi-restraints excluded: chain GV residue 47 LYS Chi-restraints excluded: chain GV residue 49 ASP Chi-restraints excluded: chain GV residue 82 ASP Chi-restraints excluded: chain GW residue 30 GLU Chi-restraints excluded: chain GW residue 59 SER Chi-restraints excluded: chain GW residue 67 ILE Chi-restraints excluded: chain GX residue 54 ASN Chi-restraints excluded: chain GX residue 59 SER Chi-restraints excluded: chain GY residue 60 GLU Chi-restraints excluded: chain GZ residue 47 LYS Chi-restraints excluded: chain GZ residue 65 LYS Chi-restraints excluded: chain HA residue 67 ILE Chi-restraints excluded: chain HB residue 59 SER Chi-restraints excluded: chain HC residue 32 ASP Chi-restraints excluded: chain HC residue 57 LEU Chi-restraints excluded: chain HE residue 45 MET Chi-restraints excluded: chain HF residue 54 ASN Chi-restraints excluded: chain HF residue 59 SER Chi-restraints excluded: chain HF residue 67 ILE Chi-restraints excluded: chain HG residue 32 ASP Chi-restraints excluded: chain HG residue 47 ASN Chi-restraints excluded: chain HG residue 57 LEU Chi-restraints excluded: chain HH residue 7 LEU Chi-restraints excluded: chain HH residue 47 LYS Chi-restraints excluded: chain HH residue 49 ASP Chi-restraints excluded: chain HJ residue 10 THR Chi-restraints excluded: chain HJ residue 59 SER Chi-restraints excluded: chain HK residue 32 ASP Chi-restraints excluded: chain HK residue 39 ASP Chi-restraints excluded: chain HK residue 47 ASN Chi-restraints excluded: chain HK residue 52 MET Chi-restraints excluded: chain HL residue 3 GLU Chi-restraints excluded: chain HL residue 45 MET Chi-restraints excluded: chain HL residue 47 LYS Chi-restraints excluded: chain HL residue 49 ASP Chi-restraints excluded: chain HL residue 81 ASN Chi-restraints excluded: chain HL residue 82 ASP Chi-restraints excluded: chain HM residue 30 GLU Chi-restraints excluded: chain HM residue 59 SER Chi-restraints excluded: chain HM residue 67 ILE Chi-restraints excluded: chain HN residue 67 ILE Chi-restraints excluded: chain HN residue 73 SER Chi-restraints excluded: chain HP residue 65 LYS Chi-restraints excluded: chain HP residue 67 ILE Chi-restraints excluded: chain HQ residue 50 VAL Chi-restraints excluded: chain HQ residue 67 ILE Chi-restraints excluded: chain HS residue 32 ASP Chi-restraints excluded: chain HS residue 57 LEU Chi-restraints excluded: chain HV residue 54 ASN Chi-restraints excluded: chain HV residue 59 SER Chi-restraints excluded: chain HV residue 67 ILE Chi-restraints excluded: chain HW residue 32 ASP Chi-restraints excluded: chain HW residue 39 ASP Chi-restraints excluded: chain HX residue 3 GLU Chi-restraints excluded: chain HX residue 49 ASP Chi-restraints excluded: chain HX residue 81 ASN Chi-restraints excluded: chain HX residue 82 ASP Chi-restraints excluded: chain HY residue 30 GLU Chi-restraints excluded: chain HY residue 59 SER Chi-restraints excluded: chain HY residue 67 ILE Chi-restraints excluded: chain HZ residue 3 GLU Chi-restraints excluded: chain HZ residue 59 SER Chi-restraints excluded: chain HZ residue 67 ILE Chi-restraints excluded: chain HZ residue 73 SER Chi-restraints excluded: chain IA residue 30 LEU Chi-restraints excluded: chain IA residue 32 ASP Chi-restraints excluded: chain IA residue 47 ASN Chi-restraints excluded: chain IA residue 57 LEU Chi-restraints excluded: chain IA residue 79 GLU Chi-restraints excluded: chain IB residue 47 LYS Chi-restraints excluded: chain ID residue 10 THR Chi-restraints excluded: chain ID residue 59 SER Chi-restraints excluded: chain ID residue 66 ARG Chi-restraints excluded: chain ID residue 67 ILE Chi-restraints excluded: chain IE residue 30 LEU Chi-restraints excluded: chain IE residue 32 ASP Chi-restraints excluded: chain IF residue 45 MET Chi-restraints excluded: chain IG residue 67 ILE Chi-restraints excluded: chain IH residue 8 ILE Chi-restraints excluded: chain IH residue 35 GLU Chi-restraints excluded: chain IH residue 66 ARG Chi-restraints excluded: chain II residue 30 LEU Chi-restraints excluded: chain IL residue 54 ASN Chi-restraints excluded: chain IL residue 59 SER Chi-restraints excluded: chain IL residue 67 ILE Chi-restraints excluded: chain IM residue 32 ASP Chi-restraints excluded: chain IM residue 39 ASP Chi-restraints excluded: chain IN residue 3 GLU Chi-restraints excluded: chain IN residue 49 ASP Chi-restraints excluded: chain IN residue 82 ASP Chi-restraints excluded: chain IO residue 30 GLU Chi-restraints excluded: chain IO residue 59 SER Chi-restraints excluded: chain IO residue 67 ILE Chi-restraints excluded: chain IP residue 67 ILE Chi-restraints excluded: chain IQ residue 32 ASP Chi-restraints excluded: chain IQ residue 47 ASN Chi-restraints excluded: chain IQ residue 57 LEU Chi-restraints excluded: chain IR residue 47 LYS Chi-restraints excluded: chain IS residue 10 THR Chi-restraints excluded: chain IT residue 10 THR Chi-restraints excluded: chain IT residue 59 SER Chi-restraints excluded: chain IT residue 66 ARG Chi-restraints excluded: chain IT residue 67 ILE Chi-restraints excluded: chain IU residue 17 ASP Chi-restraints excluded: chain IU residue 25 LEU Chi-restraints excluded: chain IU residue 32 ASP Chi-restraints excluded: chain IU residue 47 ASN Chi-restraints excluded: chain IU residue 57 LEU Chi-restraints excluded: chain IW residue 30 GLU Chi-restraints excluded: chain IX residue 35 GLU Chi-restraints excluded: chain IX residue 54 ASN Chi-restraints excluded: chain IX residue 59 SER Chi-restraints excluded: chain IX residue 67 ILE Chi-restraints excluded: chain IY residue 30 LEU Chi-restraints excluded: chain IZ residue 45 MET Chi-restraints excluded: chain IZ residue 47 LYS Chi-restraints excluded: chain IZ residue 81 ASN Chi-restraints excluded: chain JA residue 67 ILE Chi-restraints excluded: chain JB residue 54 ASN Chi-restraints excluded: chain JC residue 27 ILE Chi-restraints excluded: chain JD residue 59 SER Chi-restraints excluded: chain JD residue 65 LYS Chi-restraints excluded: chain JD residue 81 ASN Chi-restraints excluded: chain JE residue 5 LEU Chi-restraints excluded: chain JE residue 67 ILE Chi-restraints excluded: chain JF residue 47 LYS Chi-restraints excluded: chain JF residue 59 SER Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1791 optimal weight: 7.9990 chunk 209 optimal weight: 9.9990 chunk 1058 optimal weight: 1.9990 chunk 1356 optimal weight: 10.0000 chunk 1051 optimal weight: 8.9990 chunk 1563 optimal weight: 10.0000 chunk 1037 optimal weight: 9.9990 chunk 1850 optimal weight: 2.9990 chunk 1158 optimal weight: 10.0000 chunk 1128 optimal weight: 9.9990 chunk 854 optimal weight: 5.9990 overall best weight: 5.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: DU 36 ASN EG 36 ASN EG 81 ASN GC 36 ASN JA 81 ASN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8324 moved from start: 0.3715 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.045 142200 Z= 0.383 Angle : 0.583 13.909 191940 Z= 0.317 Chirality : 0.043 0.186 23940 Planarity : 0.003 0.023 24720 Dihedral : 4.782 27.880 20400 Min Nonbonded Distance : 2.075 Molprobity Statistics. All-atom Clashscore : 5.14 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.38 % Favored : 96.62 % Rotamer: Outliers : 4.27 % Allowed : 24.64 % Favored : 71.09 % 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: 0.07 (0.06), residues: 19140 helix: 1.66 (0.07), residues: 5940 sheet: 0.41 (0.07), residues: 6240 loop : -1.76 (0.06), residues: 6960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.002 TRPDW 42 HIS 0.003 0.001 HISAF 80 PHE 0.006 0.001 PHEDK 62 TYR 0.012 0.001 TYRGH 34 ARG 0.005 0.000 ARGDZ 78 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5267 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 620 poor density : 4647 time to evaluate : 12.225 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AC 47 LYS cc_start: 0.8790 (ptmm) cc_final: 0.8481 (pttp) REVERT: AD 66 ARG cc_start: 0.7702 (OUTLIER) cc_final: 0.7361 (ptp90) REVERT: AD 82 ASP cc_start: 0.8248 (m-30) cc_final: 0.7983 (m-30) REVERT: AH 54 ASN cc_start: 0.8328 (t0) cc_final: 0.7921 (m-40) REVERT: AJ 11 LYS cc_start: 0.8284 (tptp) cc_final: 0.7992 (tptp) REVERT: AK 82 ASP cc_start: 0.7086 (m-30) cc_final: 0.6825 (m-30) REVERT: AL 54 ASN cc_start: 0.8265 (OUTLIER) cc_final: 0.7970 (m-40) REVERT: AO 47 LYS cc_start: 0.8732 (ptmm) cc_final: 0.8442 (pttp) REVERT: AP 9 GLU cc_start: 0.8174 (tt0) cc_final: 0.7893 (tt0) REVERT: AP 66 ARG cc_start: 0.7667 (OUTLIER) cc_final: 0.7360 (ptp90) REVERT: AQ 60 GLU cc_start: 0.7035 (mm-30) cc_final: 0.6641 (mp0) REVERT: AT 23 MET cc_start: 0.8168 (mtp) cc_final: 0.7951 (mtp) REVERT: AT 54 ASN cc_start: 0.8671 (OUTLIER) cc_final: 0.8420 (m-40) REVERT: AW 11 LYS cc_start: 0.8512 (OUTLIER) cc_final: 0.8004 (ttpp) REVERT: AW 65 LYS cc_start: 0.8661 (ttmm) cc_final: 0.8433 (ttpp) REVERT: BA 82 ASP cc_start: 0.6992 (m-30) cc_final: 0.6744 (m-30) REVERT: BE 82 ASP cc_start: 0.7542 (m-30) cc_final: 0.7325 (m-30) REVERT: BF 66 ARG cc_start: 0.7705 (OUTLIER) cc_final: 0.7267 (ptp90) REVERT: BF 82 ASP cc_start: 0.8234 (m-30) cc_final: 0.7991 (m-30) REVERT: BG 60 GLU cc_start: 0.7019 (mm-30) cc_final: 0.6633 (mp0) REVERT: BH 66 ARG cc_start: 0.8255 (ttm110) cc_final: 0.7875 (mtm-85) REVERT: BJ 23 MET cc_start: 0.8057 (mtp) cc_final: 0.7824 (mtp) REVERT: BJ 47 LYS cc_start: 0.8646 (ttpt) cc_final: 0.8360 (ttmt) REVERT: BM 82 ASP cc_start: 0.7017 (m-30) cc_final: 0.6772 (m-30) REVERT: BN 47 LYS cc_start: 0.8793 (ttpt) cc_final: 0.8453 (tttp) REVERT: BN 54 ASN cc_start: 0.8266 (OUTLIER) cc_final: 0.7945 (m-40) REVERT: BQ 65 LYS cc_start: 0.8667 (ttmm) cc_final: 0.8351 (ttpp) REVERT: BR 66 ARG cc_start: 0.7736 (ttp-170) cc_final: 0.7427 (mtm-85) REVERT: BT 74 ARG cc_start: 0.7721 (tpt170) cc_final: 0.7516 (tpt170) REVERT: BW 60 GLU cc_start: 0.7063 (mm-30) cc_final: 0.6709 (mp0) REVERT: BZ 47 LYS cc_start: 0.8740 (ttpt) cc_final: 0.8350 (ttmm) REVERT: BZ 86 ILE cc_start: 0.8201 (mm) cc_final: 0.7537 (mt) REVERT: CB 11 LYS cc_start: 0.8287 (tptp) cc_final: 0.7992 (tptp) REVERT: CC 82 ASP cc_start: 0.7023 (m-30) cc_final: 0.6751 (m-30) REVERT: CI 60 GLU cc_start: 0.7024 (mm-30) cc_final: 0.6627 (mp0) REVERT: CL 47 LYS cc_start: 0.8618 (ttpt) cc_final: 0.8341 (ttmm) REVERT: CL 65 LYS cc_start: 0.8681 (ttmm) cc_final: 0.8452 (ttmm) REVERT: CP 78 ARG cc_start: 0.8368 (OUTLIER) cc_final: 0.8142 (ptp-110) REVERT: CQ 38 LYS cc_start: 0.8438 (ttpp) cc_final: 0.8176 (tttm) REVERT: CS 47 LYS cc_start: 0.8478 (pttm) cc_final: 0.8180 (pttm) REVERT: CT 66 ARG cc_start: 0.7721 (OUTLIER) cc_final: 0.7408 (ptp90) REVERT: CW 65 LYS cc_start: 0.8654 (ttmm) cc_final: 0.8348 (ttpp) REVERT: CX 66 ARG cc_start: 0.7669 (ttp-170) cc_final: 0.7360 (mtm-85) REVERT: CY 60 GLU cc_start: 0.7018 (mm-30) cc_final: 0.6634 (mp0) REVERT: CZ 11 LYS cc_start: 0.8368 (tptp) cc_final: 0.7934 (tptp) REVERT: DB 23 MET cc_start: 0.8145 (mtp) cc_final: 0.7924 (mtp) REVERT: DB 54 ASN cc_start: 0.8650 (OUTLIER) cc_final: 0.8427 (m-40) REVERT: DH 83 ILE cc_start: 0.7285 (OUTLIER) cc_final: 0.7066 (mp) REVERT: DJ 66 ARG cc_start: 0.7598 (ttp-170) cc_final: 0.7355 (ttm-80) REVERT: DM 3 GLU cc_start: 0.7614 (OUTLIER) cc_final: 0.7266 (mt-10) REVERT: DM 47 LYS cc_start: 0.8751 (ptmm) cc_final: 0.8433 (pttp) REVERT: DM 82 ASP cc_start: 0.7608 (m-30) cc_final: 0.7405 (m-30) REVERT: DN 82 ASP cc_start: 0.8246 (m-30) cc_final: 0.7988 (m-30) REVERT: DP 11 LYS cc_start: 0.8291 (tptp) cc_final: 0.7993 (tptp) REVERT: DQ 82 ASP cc_start: 0.7226 (m-30) cc_final: 0.6968 (m-30) REVERT: DR 54 ASN cc_start: 0.8252 (OUTLIER) cc_final: 0.7901 (m-40) REVERT: DV 66 ARG cc_start: 0.7710 (ttm170) cc_final: 0.7272 (ttp-170) REVERT: DX 67 ILE cc_start: 0.8821 (pt) cc_final: 0.8547 (pt) REVERT: DX 83 ILE cc_start: 0.7141 (OUTLIER) cc_final: 0.6845 (mp) REVERT: EC 82 ASP cc_start: 0.7519 (m-30) cc_final: 0.7311 (m-30) REVERT: ED 66 ARG cc_start: 0.7552 (ttp-170) cc_final: 0.7090 (ptp90) REVERT: ED 82 ASP cc_start: 0.8254 (m-30) cc_final: 0.7998 (m-30) REVERT: EF 10 THR cc_start: 0.8882 (p) cc_final: 0.8607 (m) REVERT: EF 66 ARG cc_start: 0.8051 (ttm-80) cc_final: 0.7591 (mtm-85) REVERT: EH 78 ARG cc_start: 0.8356 (ptp-110) cc_final: 0.8119 (ptp-110) REVERT: EJ 11 LYS cc_start: 0.8307 (tptp) cc_final: 0.8021 (tptp) REVERT: EK 69 LYS cc_start: 0.8733 (ttpt) cc_final: 0.8419 (ttpp) REVERT: EK 82 ASP cc_start: 0.7385 (m-30) cc_final: 0.7130 (m-30) REVERT: EN 66 ARG cc_start: 0.8215 (ttm110) cc_final: 0.7798 (mtm-85) REVERT: EQ 38 LYS cc_start: 0.8462 (ttpp) cc_final: 0.8219 (tttm) REVERT: ER 3 GLU cc_start: 0.7674 (mm-30) cc_final: 0.7373 (mm-30) REVERT: ES 47 LYS cc_start: 0.8786 (ptmm) cc_final: 0.8482 (pttp) REVERT: ET 66 ARG cc_start: 0.7675 (OUTLIER) cc_final: 0.7281 (ptp90) REVERT: EW 82 ASP cc_start: 0.7043 (m-30) cc_final: 0.6807 (m-30) REVERT: EZ 10 THR cc_start: 0.8883 (p) cc_final: 0.8613 (m) REVERT: EZ 66 ARG cc_start: 0.8045 (ttm110) cc_final: 0.7755 (mtm-85) REVERT: FA 36 ASN cc_start: 0.8520 (t0) cc_final: 0.8290 (t0) REVERT: FB 78 ARG cc_start: 0.8402 (OUTLIER) cc_final: 0.8180 (ptp-110) REVERT: FF 9 GLU cc_start: 0.8200 (tt0) cc_final: 0.7913 (tt0) REVERT: FF 66 ARG cc_start: 0.7717 (OUTLIER) cc_final: 0.7311 (ptp90) REVERT: FH 83 ILE cc_start: 0.7305 (OUTLIER) cc_final: 0.7073 (mp) REVERT: FK 60 GLU cc_start: 0.7053 (mm-30) cc_final: 0.6664 (mp0) REVERT: FN 47 LYS cc_start: 0.8775 (ttpt) cc_final: 0.8375 (ttmt) REVERT: FP 10 THR cc_start: 0.8844 (p) cc_final: 0.8605 (m) REVERT: FU 47 LYS cc_start: 0.8805 (ptmm) cc_final: 0.8501 (pttp) REVERT: FV 9 GLU cc_start: 0.8246 (tt0) cc_final: 0.7942 (tt0) REVERT: FV 66 ARG cc_start: 0.7721 (OUTLIER) cc_final: 0.7337 (ptp90) REVERT: FV 82 ASP cc_start: 0.8249 (m-30) cc_final: 0.7998 (m-30) REVERT: FY 65 LYS cc_start: 0.8665 (ttmm) cc_final: 0.8431 (ttpp) REVERT: FZ 66 ARG cc_start: 0.7666 (ttp-170) cc_final: 0.7368 (mtm-85) REVERT: FZ 78 ARG cc_start: 0.8446 (OUTLIER) cc_final: 0.7682 (mtp85) REVERT: GB 66 ARG cc_start: 0.8050 (ttm-80) cc_final: 0.7656 (mtm-85) REVERT: GD 78 ARG cc_start: 0.8388 (ptp-110) cc_final: 0.8148 (ptp-110) REVERT: GE 60 GLU cc_start: 0.7026 (mm-30) cc_final: 0.6619 (mp0) REVERT: GH 47 LYS cc_start: 0.8742 (ttpt) cc_final: 0.8402 (ttmm) REVERT: GI 30 LEU cc_start: 0.9244 (OUTLIER) cc_final: 0.8955 (pp) REVERT: GK 82 ASP cc_start: 0.6997 (m-30) cc_final: 0.6733 (m-30) REVERT: GL 54 ASN cc_start: 0.8267 (OUTLIER) cc_final: 0.7991 (m-40) REVERT: GO 11 LYS cc_start: 0.8485 (OUTLIER) cc_final: 0.7857 (ttpp) REVERT: GO 82 ASP cc_start: 0.7455 (m-30) cc_final: 0.7192 (m-30) REVERT: GU 60 GLU cc_start: 0.7011 (mm-30) cc_final: 0.6612 (mp0) REVERT: GV 66 ARG cc_start: 0.8044 (ttm110) cc_final: 0.7721 (mtm-85) REVERT: GX 47 LYS cc_start: 0.8656 (ttpt) cc_final: 0.8340 (ttmm) REVERT: GX 54 ASN cc_start: 0.8656 (OUTLIER) cc_final: 0.8439 (m-40) REVERT: GX 86 ILE cc_start: 0.8347 (mm) cc_final: 0.7612 (mt) REVERT: GZ 83 ILE cc_start: 0.7082 (OUTLIER) cc_final: 0.6794 (mp) REVERT: HE 82 ASP cc_start: 0.7050 (m-30) cc_final: 0.6810 (m-30) REVERT: HF 54 ASN cc_start: 0.8276 (OUTLIER) cc_final: 0.7936 (m-40) REVERT: HF 66 ARG cc_start: 0.7897 (ttm-80) cc_final: 0.7680 (mtm-85) REVERT: HI 3 GLU cc_start: 0.7648 (OUTLIER) cc_final: 0.7300 (mt-10) REVERT: HN 66 ARG cc_start: 0.7824 (ttm170) cc_final: 0.7555 (ttp-170) REVERT: HT 11 LYS cc_start: 0.8291 (tptp) cc_final: 0.8011 (tptp) REVERT: HU 69 LYS cc_start: 0.8702 (ttpt) cc_final: 0.8412 (ttpp) REVERT: HU 82 ASP cc_start: 0.7017 (m-30) cc_final: 0.6767 (m-30) REVERT: HV 54 ASN cc_start: 0.8299 (OUTLIER) cc_final: 0.7922 (m-40) REVERT: HV 78 ARG cc_start: 0.8456 (ptp-110) cc_final: 0.7903 (ptp-110) REVERT: HW 18 GLU cc_start: 0.7451 (tt0) cc_final: 0.7226 (tt0) REVERT: HW 60 GLU cc_start: 0.7078 (mm-30) cc_final: 0.6691 (mp0) REVERT: HZ 47 LYS cc_start: 0.8776 (ttpt) cc_final: 0.8390 (ttmm) REVERT: IC 47 LYS cc_start: 0.8768 (ptmm) cc_final: 0.8477 (pttp) REVERT: ID 66 ARG cc_start: 0.7710 (OUTLIER) cc_final: 0.7354 (ptp90) REVERT: IF 30 GLU cc_start: 0.7495 (OUTLIER) cc_final: 0.7204 (pp20) REVERT: IF 47 LYS cc_start: 0.8375 (ptmt) cc_final: 0.8002 (ttpt) REVERT: IH 54 ASN cc_start: 0.8341 (t0) cc_final: 0.7964 (m-40) REVERT: IH 66 ARG cc_start: 0.7752 (OUTLIER) cc_final: 0.7264 (ttp-170) REVERT: II 30 LEU cc_start: 0.9242 (OUTLIER) cc_final: 0.8953 (pp) REVERT: II 60 GLU cc_start: 0.7262 (mm-30) cc_final: 0.6941 (tp30) REVERT: IK 82 ASP cc_start: 0.7027 (m-30) cc_final: 0.6759 (m-30) REVERT: IL 54 ASN cc_start: 0.8298 (OUTLIER) cc_final: 0.7944 (m-40) REVERT: IM 60 GLU cc_start: 0.7035 (mm-30) cc_final: 0.6653 (mp0) REVERT: IP 47 LYS cc_start: 0.8767 (ttpt) cc_final: 0.8425 (ttmm) REVERT: IP 66 ARG cc_start: 0.7504 (ttm110) cc_final: 0.7202 (ttp-170) REVERT: IR 3 GLU cc_start: 0.7684 (mm-30) cc_final: 0.7355 (mm-30) REVERT: IS 47 LYS cc_start: 0.8776 (ptmm) cc_final: 0.8473 (pttp) REVERT: IT 9 GLU cc_start: 0.8199 (tt0) cc_final: 0.7934 (tt0) REVERT: IT 66 ARG cc_start: 0.7706 (OUTLIER) cc_final: 0.7341 (ptp90) REVERT: IT 82 ASP cc_start: 0.8247 (m-30) cc_final: 0.7989 (m-30) REVERT: IV 54 ASN cc_start: 0.8585 (t0) cc_final: 0.8314 (m-40) REVERT: IW 82 ASP cc_start: 0.7318 (m-30) cc_final: 0.7066 (m-30) REVERT: IX 54 ASN cc_start: 0.8267 (OUTLIER) cc_final: 0.7902 (m-40) REVERT: IZ 49 ASP cc_start: 0.7698 (OUTLIER) cc_final: 0.7434 (t0) REVERT: IZ 66 ARG cc_start: 0.8029 (ttm-80) cc_final: 0.7648 (mtm-85) REVERT: JB 54 ASN cc_start: 0.8398 (OUTLIER) cc_final: 0.8181 (m-40) REVERT: JB 78 ARG cc_start: 0.8353 (ptp-110) cc_final: 0.8143 (ptp-110) REVERT: JD 3 GLU cc_start: 0.7778 (mm-30) cc_final: 0.7439 (mm-30) REVERT: JD 67 ILE cc_start: 0.8833 (pt) cc_final: 0.8562 (pt) REVERT: JF 9 GLU cc_start: 0.8472 (tt0) cc_final: 0.8208 (tt0) outliers start: 620 outliers final: 463 residues processed: 4910 average time/residue: 1.3093 time to fit residues: 10875.0480 Evaluate side-chains 5113 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 500 poor density : 4613 time to evaluate : 11.927 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 57 LEU Chi-restraints excluded: chain AB residue 7 LEU Chi-restraints excluded: chain AD residue 10 THR Chi-restraints excluded: chain AD residue 59 SER Chi-restraints excluded: chain AD residue 66 ARG Chi-restraints excluded: chain AD residue 67 ILE Chi-restraints excluded: chain AE residue 30 LEU Chi-restraints excluded: chain AE residue 32 ASP Chi-restraints excluded: chain AF residue 45 MET Chi-restraints excluded: chain AF residue 47 LYS Chi-restraints excluded: chain AF residue 81 ASN Chi-restraints excluded: chain AG residue 67 ILE Chi-restraints excluded: chain AI residue 17 ASP Chi-restraints excluded: chain AI residue 25 LEU Chi-restraints excluded: chain AI residue 47 ASN Chi-restraints excluded: chain AI residue 57 LEU Chi-restraints excluded: chain AJ residue 50 VAL Chi-restraints excluded: chain AJ residue 82 ASP Chi-restraints excluded: chain AK residue 30 GLU Chi-restraints excluded: chain AL residue 54 ASN Chi-restraints excluded: chain AL residue 59 SER Chi-restraints excluded: chain AL residue 67 ILE Chi-restraints excluded: chain AM residue 30 LEU Chi-restraints excluded: chain AM residue 57 LEU Chi-restraints excluded: chain AN residue 7 LEU Chi-restraints excluded: chain AO residue 10 THR Chi-restraints excluded: chain AP residue 10 THR Chi-restraints excluded: chain AP residue 59 SER Chi-restraints excluded: chain AP residue 66 ARG Chi-restraints excluded: chain AP residue 67 ILE Chi-restraints excluded: chain AQ residue 39 ASP Chi-restraints excluded: chain AR residue 3 GLU Chi-restraints excluded: chain AR residue 10 THR Chi-restraints excluded: chain AR residue 45 MET Chi-restraints excluded: chain AR residue 81 ASN Chi-restraints excluded: chain AR residue 82 ASP Chi-restraints excluded: chain AS residue 30 GLU Chi-restraints excluded: chain AS residue 59 SER Chi-restraints excluded: chain AS residue 67 ILE Chi-restraints excluded: chain AT residue 54 ASN Chi-restraints excluded: chain AT residue 59 SER Chi-restraints excluded: chain AT residue 67 ILE Chi-restraints excluded: chain AT residue 73 SER Chi-restraints excluded: chain AV residue 42 VAL Chi-restraints excluded: chain AV residue 59 SER Chi-restraints excluded: chain AV residue 61 VAL Chi-restraints excluded: chain AV residue 65 LYS Chi-restraints excluded: chain AW residue 11 LYS Chi-restraints excluded: chain AW residue 67 ILE Chi-restraints excluded: chain AX residue 59 SER Chi-restraints excluded: chain AY residue 25 LEU Chi-restraints excluded: chain AY residue 47 ASN Chi-restraints excluded: chain AY residue 57 LEU Chi-restraints excluded: chain AZ residue 50 VAL Chi-restraints excluded: chain BA residue 30 GLU Chi-restraints excluded: chain BA residue 42 VAL Chi-restraints excluded: chain BA residue 47 LYS Chi-restraints excluded: chain BB residue 35 GLU Chi-restraints excluded: chain BB residue 59 SER Chi-restraints excluded: chain BB residue 67 ILE Chi-restraints excluded: chain BC residue 7 THR Chi-restraints excluded: chain BC residue 30 LEU Chi-restraints excluded: chain BC residue 32 ASP Chi-restraints excluded: chain BC residue 57 LEU Chi-restraints excluded: chain BC residue 60 GLU Chi-restraints excluded: chain BD residue 7 LEU Chi-restraints excluded: chain BE residue 35 GLU Chi-restraints excluded: chain BF residue 10 THR Chi-restraints excluded: chain BF residue 59 SER Chi-restraints excluded: chain BF residue 66 ARG Chi-restraints excluded: chain BF residue 67 ILE Chi-restraints excluded: chain BG residue 39 ASP Chi-restraints excluded: chain BG residue 47 ASN Chi-restraints excluded: chain BH residue 3 GLU Chi-restraints excluded: chain BH residue 10 THR Chi-restraints excluded: chain BH residue 59 SER Chi-restraints excluded: chain BH residue 81 ASN Chi-restraints excluded: chain BH residue 82 ASP Chi-restraints excluded: chain BI residue 30 GLU Chi-restraints excluded: chain BI residue 67 ILE Chi-restraints excluded: chain BJ residue 59 SER Chi-restraints excluded: chain BJ residue 67 ILE Chi-restraints excluded: chain BK residue 17 ASP Chi-restraints excluded: chain BK residue 25 LEU Chi-restraints excluded: chain BL residue 47 LYS Chi-restraints excluded: chain BL residue 50 VAL Chi-restraints excluded: chain BM residue 30 GLU Chi-restraints excluded: chain BM residue 45 MET Chi-restraints excluded: chain BM residue 47 LYS Chi-restraints excluded: chain BN residue 35 GLU Chi-restraints excluded: chain BN residue 54 ASN Chi-restraints excluded: chain BN residue 59 SER Chi-restraints excluded: chain BN residue 67 ILE Chi-restraints excluded: chain BP residue 65 LYS Chi-restraints excluded: chain BQ residue 67 ILE Chi-restraints excluded: chain BR residue 59 SER Chi-restraints excluded: chain BS residue 30 LEU Chi-restraints excluded: chain BT residue 39 SER Chi-restraints excluded: chain BT residue 45 MET Chi-restraints excluded: chain BT residue 47 LYS Chi-restraints excluded: chain BU residue 67 ILE Chi-restraints excluded: chain BV residue 35 GLU Chi-restraints excluded: chain BV residue 59 SER Chi-restraints excluded: chain BW residue 32 ASP Chi-restraints excluded: chain BW residue 47 ASN Chi-restraints excluded: chain BX residue 3 GLU Chi-restraints excluded: chain BX residue 45 MET Chi-restraints excluded: chain BX residue 59 SER Chi-restraints excluded: chain BX residue 82 ASP Chi-restraints excluded: chain BY residue 7 LEU Chi-restraints excluded: chain BY residue 30 GLU Chi-restraints excluded: chain BY residue 59 SER Chi-restraints excluded: chain BY residue 67 ILE Chi-restraints excluded: chain BZ residue 59 SER Chi-restraints excluded: chain BZ residue 67 ILE Chi-restraints excluded: chain CA residue 17 ASP Chi-restraints excluded: chain CA residue 25 LEU Chi-restraints excluded: chain CA residue 47 ASN Chi-restraints excluded: chain CA residue 57 LEU Chi-restraints excluded: chain CB residue 50 VAL Chi-restraints excluded: chain CB residue 82 ASP Chi-restraints excluded: chain CC residue 30 GLU Chi-restraints excluded: chain CD residue 35 GLU Chi-restraints excluded: chain CD residue 59 SER Chi-restraints excluded: chain CD residue 67 ILE Chi-restraints excluded: chain CE residue 27 ILE Chi-restraints excluded: chain CF residue 42 VAL Chi-restraints excluded: chain CF residue 47 LYS Chi-restraints excluded: chain CF residue 65 LYS Chi-restraints excluded: chain CG residue 67 ILE Chi-restraints excluded: chain CH residue 45 MET Chi-restraints excluded: chain CH residue 59 SER Chi-restraints excluded: chain CI residue 32 ASP Chi-restraints excluded: chain CI residue 39 ASP Chi-restraints excluded: chain CJ residue 3 GLU Chi-restraints excluded: chain CJ residue 59 SER Chi-restraints excluded: chain CJ residue 81 ASN Chi-restraints excluded: chain CJ residue 82 ASP Chi-restraints excluded: chain CK residue 7 LEU Chi-restraints excluded: chain CK residue 30 GLU Chi-restraints excluded: chain CK residue 59 SER Chi-restraints excluded: chain CK residue 67 ILE Chi-restraints excluded: chain CL residue 73 SER Chi-restraints excluded: chain CM residue 30 LEU Chi-restraints excluded: chain CN residue 45 MET Chi-restraints excluded: chain CN residue 47 LYS Chi-restraints excluded: chain CP residue 78 ARG Chi-restraints excluded: chain CQ residue 32 ASP Chi-restraints excluded: chain CQ residue 57 LEU Chi-restraints excluded: chain CR residue 7 LEU Chi-restraints excluded: chain CS residue 10 THR Chi-restraints excluded: chain CT residue 10 THR Chi-restraints excluded: chain CT residue 59 SER Chi-restraints excluded: chain CT residue 66 ARG Chi-restraints excluded: chain CT residue 67 ILE Chi-restraints excluded: chain CV residue 42 VAL Chi-restraints excluded: chain CV residue 47 LYS Chi-restraints excluded: chain CV residue 65 LYS Chi-restraints excluded: chain CW residue 67 ILE Chi-restraints excluded: chain CX residue 59 SER Chi-restraints excluded: chain CY residue 47 ASN Chi-restraints excluded: chain CZ residue 3 GLU Chi-restraints excluded: chain CZ residue 10 THR Chi-restraints excluded: chain CZ residue 59 SER Chi-restraints excluded: chain DA residue 59 SER Chi-restraints excluded: chain DA residue 67 ILE Chi-restraints excluded: chain DB residue 54 ASN Chi-restraints excluded: chain DB residue 59 SER Chi-restraints excluded: chain DB residue 73 SER Chi-restraints excluded: chain DC residue 30 LEU Chi-restraints excluded: chain DC residue 32 ASP Chi-restraints excluded: chain DD residue 45 MET Chi-restraints excluded: chain DD residue 47 LYS Chi-restraints excluded: chain DD residue 81 ASN Chi-restraints excluded: chain DE residue 67 ILE Chi-restraints excluded: chain DF residue 59 SER Chi-restraints excluded: chain DG residue 60 GLU Chi-restraints excluded: chain DH residue 18 GLU Chi-restraints excluded: chain DH residue 42 VAL Chi-restraints excluded: chain DH residue 65 LYS Chi-restraints excluded: chain DH residue 81 ASN Chi-restraints excluded: chain DH residue 83 ILE Chi-restraints excluded: chain DI residue 50 VAL Chi-restraints excluded: chain DI residue 67 ILE Chi-restraints excluded: chain DJ residue 78 ARG Chi-restraints excluded: chain DK residue 32 ASP Chi-restraints excluded: chain DK residue 57 LEU Chi-restraints excluded: chain DL residue 7 LEU Chi-restraints excluded: chain DL residue 67 ILE Chi-restraints excluded: chain DM residue 3 GLU Chi-restraints excluded: chain DN residue 10 THR Chi-restraints excluded: chain DN residue 59 SER Chi-restraints excluded: chain DO residue 17 ASP Chi-restraints excluded: chain DO residue 25 LEU Chi-restraints excluded: chain DO residue 47 ASN Chi-restraints excluded: chain DO residue 57 LEU Chi-restraints excluded: chain DP residue 3 GLU Chi-restraints excluded: chain DP residue 50 VAL Chi-restraints excluded: chain DQ residue 30 GLU Chi-restraints excluded: chain DR residue 54 ASN Chi-restraints excluded: chain DR residue 59 SER Chi-restraints excluded: chain DR residue 67 ILE Chi-restraints excluded: chain DS residue 30 LEU Chi-restraints excluded: chain DT residue 45 MET Chi-restraints excluded: chain DT residue 47 LYS Chi-restraints excluded: chain DU residue 67 ILE Chi-restraints excluded: chain DV residue 59 SER Chi-restraints excluded: chain DX residue 10 THR Chi-restraints excluded: chain DX residue 42 VAL Chi-restraints excluded: chain DX residue 65 LYS Chi-restraints excluded: chain DX residue 83 ILE Chi-restraints excluded: chain DY residue 67 ILE Chi-restraints excluded: chain DZ residue 59 SER Chi-restraints excluded: chain EA residue 57 LEU Chi-restraints excluded: chain EB residue 7 LEU Chi-restraints excluded: chain ED residue 10 THR Chi-restraints excluded: chain ED residue 59 SER Chi-restraints excluded: chain EE residue 30 LEU Chi-restraints excluded: chain EF residue 45 MET Chi-restraints excluded: chain EF residue 47 LYS Chi-restraints excluded: chain EF residue 81 ASN Chi-restraints excluded: chain EG residue 67 ILE Chi-restraints excluded: chain EH residue 35 GLU Chi-restraints excluded: chain EI residue 17 ASP Chi-restraints excluded: chain EI residue 25 LEU Chi-restraints excluded: chain EI residue 57 LEU Chi-restraints excluded: chain EJ residue 50 VAL Chi-restraints excluded: chain EJ residue 82 ASP Chi-restraints excluded: chain EK residue 30 GLU Chi-restraints excluded: chain EK residue 42 VAL Chi-restraints excluded: chain EK residue 47 LYS Chi-restraints excluded: chain EL residue 35 GLU Chi-restraints excluded: chain EL residue 59 SER Chi-restraints excluded: chain EL residue 67 ILE Chi-restraints excluded: chain EM residue 32 ASP Chi-restraints excluded: chain EN residue 3 GLU Chi-restraints excluded: chain EN residue 45 MET Chi-restraints excluded: chain EN residue 69 LYS Chi-restraints excluded: chain EN residue 82 ASP Chi-restraints excluded: chain EO residue 30 GLU Chi-restraints excluded: chain EO residue 59 SER Chi-restraints excluded: chain EO residue 67 ILE Chi-restraints excluded: chain EP residue 3 GLU Chi-restraints excluded: chain EP residue 59 SER Chi-restraints excluded: chain EP residue 67 ILE Chi-restraints excluded: chain EQ residue 57 LEU Chi-restraints excluded: chain EQ residue 60 GLU Chi-restraints excluded: chain ER residue 7 LEU Chi-restraints excluded: chain ER residue 67 ILE Chi-restraints excluded: chain ET residue 10 THR Chi-restraints excluded: chain ET residue 59 SER Chi-restraints excluded: chain ET residue 66 ARG Chi-restraints excluded: chain EU residue 17 ASP Chi-restraints excluded: chain EU residue 25 LEU Chi-restraints excluded: chain EU residue 57 LEU Chi-restraints excluded: chain EV residue 47 LYS Chi-restraints excluded: chain EV residue 50 VAL Chi-restraints excluded: chain EW residue 30 GLU Chi-restraints excluded: chain EW residue 42 VAL Chi-restraints excluded: chain EW residue 47 LYS Chi-restraints excluded: chain EX residue 59 SER Chi-restraints excluded: chain EX residue 67 ILE Chi-restraints excluded: chain EY residue 30 LEU Chi-restraints excluded: chain EZ residue 45 MET Chi-restraints excluded: chain EZ residue 47 LYS Chi-restraints excluded: chain FB residue 59 SER Chi-restraints excluded: chain FB residue 78 ARG Chi-restraints excluded: chain FC residue 57 LEU Chi-restraints excluded: chain FD residue 7 LEU Chi-restraints excluded: chain FF residue 10 THR Chi-restraints excluded: chain FF residue 59 SER Chi-restraints excluded: chain FF residue 66 ARG Chi-restraints excluded: chain FF residue 67 ILE Chi-restraints excluded: chain FG residue 16 CYS Chi-restraints excluded: chain FG residue 17 ASP Chi-restraints excluded: chain FG residue 27 ILE Chi-restraints excluded: chain FH residue 42 VAL Chi-restraints excluded: chain FH residue 65 LYS Chi-restraints excluded: chain FH residue 81 ASN Chi-restraints excluded: chain FH residue 83 ILE Chi-restraints excluded: chain FI residue 50 VAL Chi-restraints excluded: chain FI residue 67 ILE Chi-restraints excluded: chain FJ residue 45 MET Chi-restraints excluded: chain FJ residue 47 LYS Chi-restraints excluded: chain FJ residue 78 ARG Chi-restraints excluded: chain FK residue 32 ASP Chi-restraints excluded: chain FL residue 3 GLU Chi-restraints excluded: chain FL residue 45 MET Chi-restraints excluded: chain FL residue 81 ASN Chi-restraints excluded: chain FL residue 82 ASP Chi-restraints excluded: chain FM residue 30 GLU Chi-restraints excluded: chain FM residue 67 ILE Chi-restraints excluded: chain FN residue 3 GLU Chi-restraints excluded: chain FN residue 59 SER Chi-restraints excluded: chain FN residue 67 ILE Chi-restraints excluded: chain FN residue 73 SER Chi-restraints excluded: chain FO residue 30 LEU Chi-restraints excluded: chain FP residue 45 MET Chi-restraints excluded: chain FP residue 47 LYS Chi-restraints excluded: chain FQ residue 67 ILE Chi-restraints excluded: chain FR residue 35 GLU Chi-restraints excluded: chain FS residue 57 LEU Chi-restraints excluded: chain FT residue 7 LEU Chi-restraints excluded: chain FT residue 67 ILE Chi-restraints excluded: chain FU residue 65 LYS Chi-restraints excluded: chain FV residue 10 THR Chi-restraints excluded: chain FV residue 59 SER Chi-restraints excluded: chain FV residue 66 ARG Chi-restraints excluded: chain FV residue 67 ILE Chi-restraints excluded: chain FX residue 18 GLU Chi-restraints excluded: chain FX residue 42 VAL Chi-restraints excluded: chain FX residue 61 VAL Chi-restraints excluded: chain FX residue 65 LYS Chi-restraints excluded: chain FY residue 67 ILE Chi-restraints excluded: chain FZ residue 59 SER Chi-restraints excluded: chain FZ residue 78 ARG Chi-restraints excluded: chain GA residue 30 LEU Chi-restraints excluded: chain GB residue 45 MET Chi-restraints excluded: chain GB residue 47 LYS Chi-restraints excluded: chain GB residue 65 LYS Chi-restraints excluded: chain GC residue 67 ILE Chi-restraints excluded: chain GF residue 3 GLU Chi-restraints excluded: chain GF residue 10 THR Chi-restraints excluded: chain GF residue 45 MET Chi-restraints excluded: chain GF residue 81 ASN Chi-restraints excluded: chain GG residue 30 GLU Chi-restraints excluded: chain GG residue 59 SER Chi-restraints excluded: chain GG residue 67 ILE Chi-restraints excluded: chain GH residue 67 ILE Chi-restraints excluded: chain GI residue 17 ASP Chi-restraints excluded: chain GI residue 25 LEU Chi-restraints excluded: chain GI residue 30 LEU Chi-restraints excluded: chain GJ residue 17 ILE Chi-restraints excluded: chain GJ residue 47 LYS Chi-restraints excluded: chain GJ residue 50 VAL Chi-restraints excluded: chain GJ residue 82 ASP Chi-restraints excluded: chain GK residue 30 GLU Chi-restraints excluded: chain GK residue 45 MET Chi-restraints excluded: chain GL residue 54 ASN Chi-restraints excluded: chain GL residue 59 SER Chi-restraints excluded: chain GL residue 67 ILE Chi-restraints excluded: chain GN residue 10 THR Chi-restraints excluded: chain GN residue 42 VAL Chi-restraints excluded: chain GN residue 47 LYS Chi-restraints excluded: chain GN residue 65 LYS Chi-restraints excluded: chain GN residue 81 ASN Chi-restraints excluded: chain GO residue 11 LYS Chi-restraints excluded: chain GO residue 67 ILE Chi-restraints excluded: chain GP residue 59 SER Chi-restraints excluded: chain GQ residue 16 CYS Chi-restraints excluded: chain GQ residue 30 LEU Chi-restraints excluded: chain GQ residue 32 ASP Chi-restraints excluded: chain GR residue 45 MET Chi-restraints excluded: chain GR residue 47 LYS Chi-restraints excluded: chain GR residue 81 ASN Chi-restraints excluded: chain GS residue 67 ILE Chi-restraints excluded: chain GT residue 59 SER Chi-restraints excluded: chain GU residue 32 ASP Chi-restraints excluded: chain GU residue 39 ASP Chi-restraints excluded: chain GV residue 3 GLU Chi-restraints excluded: chain GV residue 45 MET Chi-restraints excluded: chain GV residue 47 LYS Chi-restraints excluded: chain GV residue 82 ASP Chi-restraints excluded: chain GW residue 30 GLU Chi-restraints excluded: chain GW residue 59 SER Chi-restraints excluded: chain GW residue 67 ILE Chi-restraints excluded: chain GX residue 54 ASN Chi-restraints excluded: chain GX residue 59 SER Chi-restraints excluded: chain GX residue 67 ILE Chi-restraints excluded: chain GY residue 60 GLU Chi-restraints excluded: chain GZ residue 42 VAL Chi-restraints excluded: chain GZ residue 47 LYS Chi-restraints excluded: chain GZ residue 65 LYS Chi-restraints excluded: chain GZ residue 83 ILE Chi-restraints excluded: chain HA residue 67 ILE Chi-restraints excluded: chain HB residue 59 SER Chi-restraints excluded: chain HC residue 17 ASP Chi-restraints excluded: chain HC residue 39 ASP Chi-restraints excluded: chain HC residue 57 LEU Chi-restraints excluded: chain HD residue 50 VAL Chi-restraints excluded: chain HE residue 30 GLU Chi-restraints excluded: chain HE residue 45 MET Chi-restraints excluded: chain HF residue 54 ASN Chi-restraints excluded: chain HF residue 59 SER Chi-restraints excluded: chain HF residue 67 ILE Chi-restraints excluded: chain HG residue 57 LEU Chi-restraints excluded: chain HH residue 7 LEU Chi-restraints excluded: chain HI residue 3 GLU Chi-restraints excluded: chain HJ residue 10 THR Chi-restraints excluded: chain HJ residue 59 SER Chi-restraints excluded: chain HK residue 47 ASN Chi-restraints excluded: chain HL residue 3 GLU Chi-restraints excluded: chain HL residue 39 SER Chi-restraints excluded: chain HL residue 45 MET Chi-restraints excluded: chain HL residue 47 LYS Chi-restraints excluded: chain HL residue 81 ASN Chi-restraints excluded: chain HL residue 82 ASP Chi-restraints excluded: chain HM residue 30 GLU Chi-restraints excluded: chain HM residue 59 SER Chi-restraints excluded: chain HM residue 67 ILE Chi-restraints excluded: chain HN residue 59 SER Chi-restraints excluded: chain HN residue 67 ILE Chi-restraints excluded: chain HN residue 73 SER Chi-restraints excluded: chain HP residue 65 LYS Chi-restraints excluded: chain HP residue 67 ILE Chi-restraints excluded: chain HQ residue 50 VAL Chi-restraints excluded: chain HQ residue 67 ILE Chi-restraints excluded: chain HT residue 50 VAL Chi-restraints excluded: chain HU residue 30 GLU Chi-restraints excluded: chain HU residue 42 VAL Chi-restraints excluded: chain HU residue 47 LYS Chi-restraints excluded: chain HV residue 54 ASN Chi-restraints excluded: chain HV residue 59 SER Chi-restraints excluded: chain HV residue 67 ILE Chi-restraints excluded: chain HV residue 86 ILE Chi-restraints excluded: chain HW residue 32 ASP Chi-restraints excluded: chain HW residue 39 ASP Chi-restraints excluded: chain HX residue 3 GLU Chi-restraints excluded: chain HX residue 45 MET Chi-restraints excluded: chain HX residue 65 LYS Chi-restraints excluded: chain HX residue 81 ASN Chi-restraints excluded: chain HX residue 82 ASP Chi-restraints excluded: chain HY residue 30 GLU Chi-restraints excluded: chain HY residue 59 SER Chi-restraints excluded: chain HY residue 67 ILE Chi-restraints excluded: chain HZ residue 3 GLU Chi-restraints excluded: chain HZ residue 59 SER Chi-restraints excluded: chain HZ residue 67 ILE Chi-restraints excluded: chain HZ residue 73 SER Chi-restraints excluded: chain IA residue 30 LEU Chi-restraints excluded: chain IA residue 32 ASP Chi-restraints excluded: chain IA residue 57 LEU Chi-restraints excluded: chain IB residue 7 LEU Chi-restraints excluded: chain IB residue 47 LYS Chi-restraints excluded: chain IB residue 67 ILE Chi-restraints excluded: chain IC residue 10 THR Chi-restraints excluded: chain ID residue 10 THR Chi-restraints excluded: chain ID residue 59 SER Chi-restraints excluded: chain ID residue 66 ARG Chi-restraints excluded: chain IE residue 30 LEU Chi-restraints excluded: chain IE residue 32 ASP Chi-restraints excluded: chain IF residue 30 GLU Chi-restraints excluded: chain IF residue 45 MET Chi-restraints excluded: chain IG residue 67 ILE Chi-restraints excluded: chain IH residue 66 ARG Chi-restraints excluded: chain II residue 17 ASP Chi-restraints excluded: chain II residue 25 LEU Chi-restraints excluded: chain II residue 30 LEU Chi-restraints excluded: chain IJ residue 3 GLU Chi-restraints excluded: chain IJ residue 50 VAL Chi-restraints excluded: chain IK residue 30 GLU Chi-restraints excluded: chain IL residue 35 GLU Chi-restraints excluded: chain IL residue 54 ASN Chi-restraints excluded: chain IL residue 59 SER Chi-restraints excluded: chain IL residue 67 ILE Chi-restraints excluded: chain IM residue 32 ASP Chi-restraints excluded: chain IM residue 39 ASP Chi-restraints excluded: chain IN residue 3 GLU Chi-restraints excluded: chain IN residue 45 MET Chi-restraints excluded: chain IN residue 82 ASP Chi-restraints excluded: chain IO residue 30 GLU Chi-restraints excluded: chain IO residue 59 SER Chi-restraints excluded: chain IO residue 67 ILE Chi-restraints excluded: chain IP residue 67 ILE Chi-restraints excluded: chain IQ residue 32 ASP Chi-restraints excluded: chain IQ residue 57 LEU Chi-restraints excluded: chain IR residue 67 ILE Chi-restraints excluded: chain IS residue 10 THR Chi-restraints excluded: chain IT residue 10 THR Chi-restraints excluded: chain IT residue 59 SER Chi-restraints excluded: chain IT residue 66 ARG Chi-restraints excluded: chain IU residue 17 ASP Chi-restraints excluded: chain IU residue 25 LEU Chi-restraints excluded: chain IU residue 27 ILE Chi-restraints excluded: chain IU residue 47 ASN Chi-restraints excluded: chain IU residue 57 LEU Chi-restraints excluded: chain IV residue 50 VAL Chi-restraints excluded: chain IW residue 30 GLU Chi-restraints excluded: chain IW residue 42 VAL Chi-restraints excluded: chain IW residue 47 LYS Chi-restraints excluded: chain IX residue 54 ASN Chi-restraints excluded: chain IX residue 59 SER Chi-restraints excluded: chain IX residue 67 ILE Chi-restraints excluded: chain IY residue 30 LEU Chi-restraints excluded: chain IZ residue 45 MET Chi-restraints excluded: chain IZ residue 47 LYS Chi-restraints excluded: chain IZ residue 49 ASP Chi-restraints excluded: chain IZ residue 65 LYS Chi-restraints excluded: chain IZ residue 81 ASN Chi-restraints excluded: chain JA residue 67 ILE Chi-restraints excluded: chain JB residue 54 ASN Chi-restraints excluded: chain JC residue 27 ILE Chi-restraints excluded: chain JD residue 42 VAL Chi-restraints excluded: chain JD residue 59 SER Chi-restraints excluded: chain JD residue 65 LYS Chi-restraints excluded: chain JD residue 81 ASN Chi-restraints excluded: chain JE residue 67 ILE Chi-restraints excluded: chain JE residue 73 SER Chi-restraints excluded: chain JF residue 47 LYS Chi-restraints excluded: chain JF residue 59 SER 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: 9.9990 chunk 1105 optimal weight: 5.9990 chunk 557 optimal weight: 8.9990 chunk 363 optimal weight: 10.0000 chunk 358 optimal weight: 10.0000 chunk 1176 optimal weight: 10.0000 chunk 1260 optimal weight: 10.0000 chunk 914 optimal weight: 9.9990 chunk 172 optimal weight: 5.9990 chunk 1454 optimal weight: 6.9990 overall best weight: 7.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: FS 53 HIS GC 36 ASN Total number of N/Q/H flips: 2 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8347 moved from start: 0.3745 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.054 142200 Z= 0.498 Angle : 0.657 15.009 191940 Z= 0.354 Chirality : 0.046 0.200 23940 Planarity : 0.003 0.031 24720 Dihedral : 5.100 28.511 20400 Min Nonbonded Distance : 2.051 Molprobity Statistics. All-atom Clashscore : 5.59 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.38 % Favored : 96.62 % Rotamer: Outliers : 4.81 % Allowed : 24.52 % Favored : 70.67 % 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: -0.38 (0.06), residues: 19140 helix: 1.13 (0.07), residues: 5820 sheet: 0.17 (0.07), residues: 6240 loop : -1.81 (0.06), residues: 7080 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.009 0.003 TRPFG 42 HIS 0.004 0.001 HISEF 80 PHE 0.007 0.001 PHEFC 62 TYR 0.014 0.002 TYRGH 34 ARG 0.004 0.000 ARGDZ 78 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5275 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 698 poor density : 4577 time to evaluate : 12.151 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AB 3 GLU cc_start: 0.7714 (mm-30) cc_final: 0.7393 (mm-30) REVERT: AC 47 LYS cc_start: 0.8863 (ptmm) cc_final: 0.8553 (pttp) REVERT: AD 66 ARG cc_start: 0.7709 (OUTLIER) cc_final: 0.7332 (ptp90) REVERT: AH 54 ASN cc_start: 0.8410 (t0) cc_final: 0.8055 (m-40) REVERT: AJ 11 LYS cc_start: 0.8282 (tptp) cc_final: 0.8040 (tptp) REVERT: AK 82 ASP cc_start: 0.7063 (m-30) cc_final: 0.6847 (m-30) REVERT: AN 3 GLU cc_start: 0.7697 (mm-30) cc_final: 0.7414 (mm-30) REVERT: AO 47 LYS cc_start: 0.8814 (ptmm) cc_final: 0.8503 (pttp) REVERT: AP 9 GLU cc_start: 0.8239 (tt0) cc_final: 0.7949 (tt0) REVERT: AP 66 ARG cc_start: 0.7717 (OUTLIER) cc_final: 0.7394 (ptp90) REVERT: AQ 60 GLU cc_start: 0.7208 (mm-30) cc_final: 0.6877 (mp0) REVERT: AT 23 MET cc_start: 0.8216 (mtp) cc_final: 0.8016 (mtp) REVERT: AW 65 LYS cc_start: 0.8683 (ttmm) cc_final: 0.8392 (ttpp) REVERT: AZ 11 LYS cc_start: 0.8290 (tptp) cc_final: 0.8013 (tptp) REVERT: BA 82 ASP cc_start: 0.7052 (m-30) cc_final: 0.6819 (m-30) REVERT: BD 3 GLU cc_start: 0.7709 (mm-30) cc_final: 0.7406 (mm-30) REVERT: BF 66 ARG cc_start: 0.7721 (OUTLIER) cc_final: 0.7284 (ptp90) REVERT: BG 60 GLU cc_start: 0.7103 (mm-30) cc_final: 0.6764 (mp0) REVERT: BH 66 ARG cc_start: 0.8275 (ttm110) cc_final: 0.7856 (mtm-85) REVERT: BJ 23 MET cc_start: 0.8103 (mtp) cc_final: 0.7895 (mtp) REVERT: BJ 47 LYS cc_start: 0.8776 (ttpt) cc_final: 0.8476 (ttmm) REVERT: BM 82 ASP cc_start: 0.7062 (m-30) cc_final: 0.6842 (m-30) REVERT: BN 47 LYS cc_start: 0.8859 (ttpt) cc_final: 0.8470 (tttp) REVERT: BQ 65 LYS cc_start: 0.8670 (ttmm) cc_final: 0.8454 (ttpp) REVERT: BR 78 ARG cc_start: 0.8518 (OUTLIER) cc_final: 0.7729 (mtp85) REVERT: BW 60 GLU cc_start: 0.7226 (mm-30) cc_final: 0.6923 (mp0) REVERT: BZ 47 LYS cc_start: 0.8762 (ttpt) cc_final: 0.8418 (ttmm) REVERT: CE 79 GLU cc_start: 0.8037 (mt-10) cc_final: 0.7756 (mt-10) REVERT: CI 60 GLU cc_start: 0.7194 (mm-30) cc_final: 0.6886 (mp0) REVERT: CL 8 ILE cc_start: 0.9060 (OUTLIER) cc_final: 0.8793 (mt) REVERT: CL 47 LYS cc_start: 0.8693 (ttpt) cc_final: 0.8396 (ttmm) REVERT: CL 65 LYS cc_start: 0.8640 (ttmm) cc_final: 0.8379 (ttmm) REVERT: CP 78 ARG cc_start: 0.8316 (OUTLIER) cc_final: 0.8055 (ptp-110) REVERT: CQ 38 LYS cc_start: 0.8460 (ttpp) cc_final: 0.8198 (tttm) REVERT: CR 3 GLU cc_start: 0.7701 (mm-30) cc_final: 0.7372 (mm-30) REVERT: CS 47 LYS cc_start: 0.8581 (pttm) cc_final: 0.8295 (pttm) REVERT: CT 66 ARG cc_start: 0.7780 (OUTLIER) cc_final: 0.7501 (ptp90) REVERT: CW 65 LYS cc_start: 0.8649 (ttmm) cc_final: 0.8446 (ttpp) REVERT: CY 60 GLU cc_start: 0.7104 (mm-30) cc_final: 0.6761 (mp0) REVERT: CZ 11 LYS cc_start: 0.8414 (tptp) cc_final: 0.7945 (tptp) REVERT: DB 23 MET cc_start: 0.8166 (mtp) cc_final: 0.7942 (mtp) REVERT: DH 83 ILE cc_start: 0.7275 (OUTLIER) cc_final: 0.7063 (mp) REVERT: DM 3 GLU cc_start: 0.7641 (OUTLIER) cc_final: 0.7261 (mt-10) REVERT: DM 47 LYS cc_start: 0.8833 (ptmm) cc_final: 0.8520 (pttp) REVERT: DN 82 ASP cc_start: 0.8254 (m-30) cc_final: 0.7993 (m-30) REVERT: DQ 82 ASP cc_start: 0.7059 (m-30) cc_final: 0.6830 (m-30) REVERT: DR 54 ASN cc_start: 0.8442 (OUTLIER) cc_final: 0.8153 (m-40) REVERT: DV 66 ARG cc_start: 0.7824 (ttm170) cc_final: 0.7463 (ttp-170) REVERT: ED 66 ARG cc_start: 0.7583 (ttp-170) cc_final: 0.7093 (ptp90) REVERT: EF 49 ASP cc_start: 0.7783 (OUTLIER) cc_final: 0.7499 (t0) REVERT: EF 66 ARG cc_start: 0.8067 (ttm-80) cc_final: 0.7717 (mtm-85) REVERT: EH 78 ARG cc_start: 0.8341 (ptp-110) cc_final: 0.8118 (ptp-110) REVERT: EK 34 TYR cc_start: 0.7934 (m-10) cc_final: 0.7650 (m-80) REVERT: EK 69 LYS cc_start: 0.8776 (ttpt) cc_final: 0.8451 (ttpp) REVERT: EK 82 ASP cc_start: 0.7160 (m-30) cc_final: 0.6911 (m-30) REVERT: EQ 38 LYS cc_start: 0.8447 (ttpp) cc_final: 0.8206 (tttm) REVERT: ES 47 LYS cc_start: 0.8848 (ptmm) cc_final: 0.8555 (pttp) REVERT: ET 66 ARG cc_start: 0.7670 (OUTLIER) cc_final: 0.7268 (ptp90) REVERT: EW 82 ASP cc_start: 0.7088 (m-30) cc_final: 0.6867 (m-30) REVERT: FB 78 ARG cc_start: 0.8385 (OUTLIER) cc_final: 0.8158 (ptp-110) REVERT: FD 3 GLU cc_start: 0.7711 (mm-30) cc_final: 0.7398 (mm-30) REVERT: FF 9 GLU cc_start: 0.8251 (tt0) cc_final: 0.7964 (tt0) REVERT: FF 66 ARG cc_start: 0.7748 (OUTLIER) cc_final: 0.7317 (ptp90) REVERT: FH 83 ILE cc_start: 0.7283 (OUTLIER) cc_final: 0.7057 (mp) REVERT: FK 60 GLU cc_start: 0.7226 (mm-30) cc_final: 0.6932 (mp0) REVERT: FN 47 LYS cc_start: 0.8813 (ttpt) cc_final: 0.8428 (ttmm) REVERT: FT 3 GLU cc_start: 0.7711 (mm-30) cc_final: 0.7365 (mm-30) REVERT: FU 47 LYS cc_start: 0.8869 (ptmm) cc_final: 0.8587 (pttp) REVERT: FV 9 GLU cc_start: 0.8239 (tt0) cc_final: 0.7944 (tt0) REVERT: FV 66 ARG cc_start: 0.7734 (OUTLIER) cc_final: 0.7344 (ptp90) REVERT: FV 82 ASP cc_start: 0.8268 (m-30) cc_final: 0.8013 (m-30) REVERT: FY 65 LYS cc_start: 0.8656 (ttmm) cc_final: 0.8434 (ttpp) REVERT: FZ 78 ARG cc_start: 0.8489 (OUTLIER) cc_final: 0.7720 (mtp85) REVERT: GB 66 ARG cc_start: 0.8118 (ttm-80) cc_final: 0.7661 (mtm-85) REVERT: GD 78 ARG cc_start: 0.8403 (ptp-110) cc_final: 0.8178 (ptp-110) REVERT: GE 60 GLU cc_start: 0.7199 (mm-30) cc_final: 0.6883 (mp0) REVERT: GH 47 LYS cc_start: 0.8825 (ttpt) cc_final: 0.8490 (ttmt) REVERT: GI 30 LEU cc_start: 0.9249 (OUTLIER) cc_final: 0.8957 (pp) REVERT: GK 82 ASP cc_start: 0.7048 (m-30) cc_final: 0.6806 (m-30) REVERT: GL 54 ASN cc_start: 0.8387 (OUTLIER) cc_final: 0.8113 (m-40) REVERT: GO 82 ASP cc_start: 0.7531 (m-30) cc_final: 0.7255 (m-30) REVERT: GU 60 GLU cc_start: 0.7226 (mm-30) cc_final: 0.6907 (mp0) REVERT: GX 47 LYS cc_start: 0.8725 (ttpt) cc_final: 0.8382 (ttmm) REVERT: HF 54 ASN cc_start: 0.8352 (OUTLIER) cc_final: 0.8019 (m-40) REVERT: HF 78 ARG cc_start: 0.8424 (ptp-110) cc_final: 0.7839 (ptp-110) REVERT: HH 3 GLU cc_start: 0.7698 (mm-30) cc_final: 0.7401 (mm-30) REVERT: HI 3 GLU cc_start: 0.7659 (OUTLIER) cc_final: 0.7279 (mt-10) REVERT: HN 66 ARG cc_start: 0.7852 (ttm170) cc_final: 0.7616 (ttp-170) REVERT: HO 79 GLU cc_start: 0.7991 (mt-10) cc_final: 0.7695 (mt-10) REVERT: HU 69 LYS cc_start: 0.8799 (ttpt) cc_final: 0.8478 (ttpp) REVERT: HU 82 ASP cc_start: 0.7028 (m-30) cc_final: 0.6797 (m-30) REVERT: HV 78 ARG cc_start: 0.8455 (ptp-110) cc_final: 0.7882 (ptp-110) REVERT: HW 18 GLU cc_start: 0.7429 (tt0) cc_final: 0.7184 (tt0) REVERT: HW 60 GLU cc_start: 0.7250 (mm-30) cc_final: 0.6923 (mp0) REVERT: HZ 47 LYS cc_start: 0.8816 (ttpt) cc_final: 0.8461 (ttmm) REVERT: IC 47 LYS cc_start: 0.8863 (ptmm) cc_final: 0.8566 (pttp) REVERT: ID 66 ARG cc_start: 0.7704 (OUTLIER) cc_final: 0.7296 (ptp90) REVERT: ID 82 ASP cc_start: 0.8254 (m-30) cc_final: 0.7979 (m-30) REVERT: IF 30 GLU cc_start: 0.7540 (OUTLIER) cc_final: 0.7311 (pp20) REVERT: IH 54 ASN cc_start: 0.8326 (t0) cc_final: 0.8079 (m-40) REVERT: IH 66 ARG cc_start: 0.7759 (OUTLIER) cc_final: 0.7376 (ptm160) REVERT: II 30 LEU cc_start: 0.9255 (OUTLIER) cc_final: 0.8960 (pp) REVERT: IM 60 GLU cc_start: 0.7207 (mm-30) cc_final: 0.6948 (mp0) REVERT: IN 81 ASN cc_start: 0.7728 (t0) cc_final: 0.7464 (t0) REVERT: IP 47 LYS cc_start: 0.8846 (ttpt) cc_final: 0.8506 (ttmt) REVERT: IP 66 ARG cc_start: 0.7651 (ttm110) cc_final: 0.7338 (ttp-170) REVERT: IS 47 LYS cc_start: 0.8838 (ptmm) cc_final: 0.8512 (pttp) REVERT: IT 9 GLU cc_start: 0.8265 (tt0) cc_final: 0.7950 (tt0) REVERT: IT 66 ARG cc_start: 0.7714 (OUTLIER) cc_final: 0.7321 (ttm170) REVERT: IT 82 ASP cc_start: 0.8251 (m-30) cc_final: 0.7995 (m-30) REVERT: IU 60 GLU cc_start: 0.7718 (tp30) cc_final: 0.7447 (tp30) REVERT: IV 47 LYS cc_start: 0.8333 (OUTLIER) cc_final: 0.8100 (ptmm) REVERT: IV 54 ASN cc_start: 0.8592 (t0) cc_final: 0.8307 (m-40) REVERT: IW 82 ASP cc_start: 0.7199 (m-30) cc_final: 0.6949 (m-30) REVERT: IZ 66 ARG cc_start: 0.8028 (ttm-80) cc_final: 0.7639 (mtm-85) REVERT: JB 54 ASN cc_start: 0.8411 (OUTLIER) cc_final: 0.8200 (m-40) REVERT: JB 78 ARG cc_start: 0.8336 (ptp-110) cc_final: 0.8128 (ptp-110) REVERT: JD 67 ILE cc_start: 0.8844 (pt) cc_final: 0.8590 (pt) outliers start: 698 outliers final: 538 residues processed: 4872 average time/residue: 1.3279 time to fit residues: 10963.4339 Evaluate side-chains 5129 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 566 poor density : 4563 time to evaluate : 12.056 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 25 LEU Chi-restraints excluded: chain AA residue 57 LEU Chi-restraints excluded: chain AC residue 10 THR Chi-restraints excluded: chain AD residue 10 THR Chi-restraints excluded: chain AD residue 59 SER Chi-restraints excluded: chain AD residue 66 ARG Chi-restraints excluded: chain AD residue 67 ILE Chi-restraints excluded: chain AE residue 30 LEU Chi-restraints excluded: chain AE residue 32 ASP Chi-restraints excluded: chain AF residue 45 MET Chi-restraints excluded: chain AF residue 47 LYS Chi-restraints excluded: chain AF residue 81 ASN Chi-restraints excluded: chain AG residue 67 ILE Chi-restraints excluded: chain AI residue 17 ASP Chi-restraints excluded: chain AI residue 25 LEU Chi-restraints excluded: chain AI residue 27 ILE Chi-restraints excluded: chain AI residue 47 ASN Chi-restraints excluded: chain AI residue 52 MET Chi-restraints excluded: chain AI residue 57 LEU Chi-restraints excluded: chain AJ residue 50 VAL Chi-restraints excluded: chain AJ residue 81 ASN Chi-restraints excluded: chain AJ residue 82 ASP Chi-restraints excluded: chain AK residue 30 GLU Chi-restraints excluded: chain AL residue 59 SER Chi-restraints excluded: chain AL residue 67 ILE Chi-restraints excluded: chain AM residue 25 LEU Chi-restraints excluded: chain AM residue 30 LEU Chi-restraints excluded: chain AM residue 57 LEU Chi-restraints excluded: chain AM residue 79 GLU Chi-restraints excluded: chain AN residue 67 ILE Chi-restraints excluded: chain AO residue 10 THR Chi-restraints excluded: chain AP residue 10 THR Chi-restraints excluded: chain AP residue 59 SER Chi-restraints excluded: chain AP residue 66 ARG Chi-restraints excluded: chain AP residue 67 ILE Chi-restraints excluded: chain AQ residue 39 ASP Chi-restraints excluded: chain AR residue 3 GLU Chi-restraints excluded: chain AR residue 10 THR Chi-restraints excluded: chain AR residue 39 SER Chi-restraints excluded: chain AR residue 45 MET Chi-restraints excluded: chain AR residue 81 ASN Chi-restraints excluded: chain AR residue 82 ASP Chi-restraints excluded: chain AS residue 30 GLU Chi-restraints excluded: chain AS residue 59 SER Chi-restraints excluded: chain AS residue 67 ILE Chi-restraints excluded: chain AT residue 59 SER Chi-restraints excluded: chain AT residue 67 ILE Chi-restraints excluded: chain AT residue 73 SER Chi-restraints excluded: chain AU residue 27 ILE Chi-restraints excluded: chain AV residue 42 VAL Chi-restraints excluded: chain AV residue 59 SER Chi-restraints excluded: chain AV residue 61 VAL Chi-restraints excluded: chain AV residue 65 LYS Chi-restraints excluded: chain AW residue 67 ILE Chi-restraints excluded: chain AX residue 59 SER Chi-restraints excluded: chain AY residue 17 ASP Chi-restraints excluded: chain AY residue 25 LEU Chi-restraints excluded: chain AY residue 27 ILE Chi-restraints excluded: chain AY residue 47 ASN Chi-restraints excluded: chain AY residue 57 LEU Chi-restraints excluded: chain AZ residue 50 VAL Chi-restraints excluded: chain BA residue 30 GLU Chi-restraints excluded: chain BA residue 42 VAL Chi-restraints excluded: chain BA residue 47 LYS Chi-restraints excluded: chain BB residue 35 GLU Chi-restraints excluded: chain BB residue 59 SER Chi-restraints excluded: chain BB residue 67 ILE Chi-restraints excluded: chain BC residue 7 THR Chi-restraints excluded: chain BC residue 30 LEU Chi-restraints excluded: chain BC residue 32 ASP Chi-restraints excluded: chain BC residue 57 LEU Chi-restraints excluded: chain BC residue 79 GLU Chi-restraints excluded: chain BE residue 10 THR Chi-restraints excluded: chain BF residue 10 THR Chi-restraints excluded: chain BF residue 59 SER Chi-restraints excluded: chain BF residue 66 ARG Chi-restraints excluded: chain BG residue 32 ASP Chi-restraints excluded: chain BG residue 39 ASP Chi-restraints excluded: chain BG residue 47 ASN Chi-restraints excluded: chain BH residue 3 GLU Chi-restraints excluded: chain BH residue 10 THR Chi-restraints excluded: chain BH residue 45 MET Chi-restraints excluded: chain BH residue 59 SER Chi-restraints excluded: chain BH residue 65 LYS Chi-restraints excluded: chain BH residue 81 ASN Chi-restraints excluded: chain BH residue 82 ASP Chi-restraints excluded: chain BI residue 30 GLU Chi-restraints excluded: chain BI residue 67 ILE Chi-restraints excluded: chain BJ residue 59 SER Chi-restraints excluded: chain BJ residue 67 ILE Chi-restraints excluded: chain BK residue 17 ASP Chi-restraints excluded: chain BK residue 25 LEU Chi-restraints excluded: chain BK residue 27 ILE Chi-restraints excluded: chain BK residue 47 ASN Chi-restraints excluded: chain BK residue 52 MET Chi-restraints excluded: chain BK residue 57 LEU Chi-restraints excluded: chain BL residue 47 LYS Chi-restraints excluded: chain BL residue 50 VAL Chi-restraints excluded: chain BM residue 30 GLU Chi-restraints excluded: chain BM residue 34 TYR Chi-restraints excluded: chain BM residue 42 VAL Chi-restraints excluded: chain BM residue 45 MET Chi-restraints excluded: chain BM residue 47 LYS Chi-restraints excluded: chain BN residue 35 GLU Chi-restraints excluded: chain BN residue 59 SER Chi-restraints excluded: chain BN residue 67 ILE Chi-restraints excluded: chain BO residue 60 GLU Chi-restraints excluded: chain BP residue 65 LYS Chi-restraints excluded: chain BQ residue 67 ILE Chi-restraints excluded: chain BR residue 45 MET Chi-restraints excluded: chain BR residue 59 SER Chi-restraints excluded: chain BR residue 78 ARG Chi-restraints excluded: chain BS residue 30 LEU Chi-restraints excluded: chain BT residue 39 SER Chi-restraints excluded: chain BT residue 45 MET Chi-restraints excluded: chain BT residue 47 LYS Chi-restraints excluded: chain BU residue 67 ILE Chi-restraints excluded: chain BV residue 35 GLU Chi-restraints excluded: chain BV residue 59 SER Chi-restraints excluded: chain BW residue 32 ASP Chi-restraints excluded: chain BW residue 47 ASN Chi-restraints excluded: chain BX residue 3 GLU Chi-restraints excluded: chain BX residue 45 MET Chi-restraints excluded: chain BX residue 59 SER Chi-restraints excluded: chain BX residue 82 ASP Chi-restraints excluded: chain BY residue 7 LEU Chi-restraints excluded: chain BY residue 30 GLU Chi-restraints excluded: chain BY residue 47 LYS Chi-restraints excluded: chain BY residue 59 SER Chi-restraints excluded: chain BY residue 67 ILE Chi-restraints excluded: chain BZ residue 59 SER Chi-restraints excluded: chain BZ residue 67 ILE Chi-restraints excluded: chain CA residue 17 ASP Chi-restraints excluded: chain CA residue 25 LEU Chi-restraints excluded: chain CA residue 27 ILE Chi-restraints excluded: chain CA residue 47 ASN Chi-restraints excluded: chain CA residue 57 LEU Chi-restraints excluded: chain CB residue 3 GLU Chi-restraints excluded: chain CB residue 50 VAL Chi-restraints excluded: chain CB residue 82 ASP Chi-restraints excluded: chain CC residue 30 GLU Chi-restraints excluded: chain CC residue 42 VAL Chi-restraints excluded: chain CD residue 35 GLU Chi-restraints excluded: chain CD residue 59 SER Chi-restraints excluded: chain CD residue 67 ILE Chi-restraints excluded: chain CE residue 27 ILE Chi-restraints excluded: chain CF residue 42 VAL Chi-restraints excluded: chain CF residue 65 LYS Chi-restraints excluded: chain CG residue 67 ILE Chi-restraints excluded: chain CH residue 45 MET Chi-restraints excluded: chain CH residue 59 SER Chi-restraints excluded: chain CI residue 32 ASP Chi-restraints excluded: chain CI residue 39 ASP Chi-restraints excluded: chain CJ residue 3 GLU Chi-restraints excluded: chain CJ residue 45 MET Chi-restraints excluded: chain CJ residue 59 SER Chi-restraints excluded: chain CJ residue 81 ASN Chi-restraints excluded: chain CJ residue 82 ASP Chi-restraints excluded: chain CK residue 7 LEU Chi-restraints excluded: chain CK residue 30 GLU Chi-restraints excluded: chain CK residue 59 SER Chi-restraints excluded: chain CK residue 67 ILE Chi-restraints excluded: chain CL residue 8 ILE Chi-restraints excluded: chain CL residue 67 ILE Chi-restraints excluded: chain CL residue 73 SER Chi-restraints excluded: chain CM residue 30 LEU Chi-restraints excluded: chain CM residue 32 ASP Chi-restraints excluded: chain CN residue 45 MET Chi-restraints excluded: chain CN residue 47 LYS Chi-restraints excluded: chain CO residue 67 ILE Chi-restraints excluded: chain CP residue 78 ARG Chi-restraints excluded: chain CQ residue 25 LEU Chi-restraints excluded: chain CQ residue 32 ASP Chi-restraints excluded: chain CQ residue 57 LEU Chi-restraints excluded: chain CQ residue 79 GLU Chi-restraints excluded: chain CS residue 10 THR Chi-restraints excluded: chain CT residue 10 THR Chi-restraints excluded: chain CT residue 59 SER Chi-restraints excluded: chain CT residue 66 ARG Chi-restraints excluded: chain CT residue 67 ILE Chi-restraints excluded: chain CV residue 42 VAL Chi-restraints excluded: chain CV residue 47 LYS Chi-restraints excluded: chain CV residue 65 LYS Chi-restraints excluded: chain CW residue 67 ILE Chi-restraints excluded: chain CX residue 59 SER Chi-restraints excluded: chain CY residue 39 ASP Chi-restraints excluded: chain CY residue 47 ASN Chi-restraints excluded: chain CY residue 52 MET Chi-restraints excluded: chain CZ residue 3 GLU Chi-restraints excluded: chain CZ residue 10 THR Chi-restraints excluded: chain CZ residue 45 MET Chi-restraints excluded: chain CZ residue 59 SER Chi-restraints excluded: chain DA residue 59 SER Chi-restraints excluded: chain DA residue 67 ILE Chi-restraints excluded: chain DB residue 59 SER Chi-restraints excluded: chain DB residue 67 ILE Chi-restraints excluded: chain DB residue 73 SER Chi-restraints excluded: chain DC residue 30 LEU Chi-restraints excluded: chain DC residue 32 ASP Chi-restraints excluded: chain DD residue 45 MET Chi-restraints excluded: chain DD residue 47 LYS Chi-restraints excluded: chain DD residue 81 ASN Chi-restraints excluded: chain DE residue 67 ILE Chi-restraints excluded: chain DF residue 59 SER Chi-restraints excluded: chain DG residue 60 GLU Chi-restraints excluded: chain DH residue 42 VAL Chi-restraints excluded: chain DH residue 65 LYS Chi-restraints excluded: chain DH residue 81 ASN Chi-restraints excluded: chain DH residue 83 ILE Chi-restraints excluded: chain DI residue 50 VAL Chi-restraints excluded: chain DI residue 67 ILE Chi-restraints excluded: chain DJ residue 78 ARG Chi-restraints excluded: chain DK residue 25 LEU Chi-restraints excluded: chain DK residue 32 ASP Chi-restraints excluded: chain DK residue 57 LEU Chi-restraints excluded: chain DK residue 79 GLU Chi-restraints excluded: chain DL residue 67 ILE Chi-restraints excluded: chain DL residue 82 ASP Chi-restraints excluded: chain DM residue 3 GLU Chi-restraints excluded: chain DN residue 10 THR Chi-restraints excluded: chain DN residue 59 SER Chi-restraints excluded: chain DO residue 17 ASP Chi-restraints excluded: chain DO residue 25 LEU Chi-restraints excluded: chain DO residue 27 ILE Chi-restraints excluded: chain DO residue 47 ASN Chi-restraints excluded: chain DO residue 57 LEU Chi-restraints excluded: chain DP residue 3 GLU Chi-restraints excluded: chain DP residue 50 VAL Chi-restraints excluded: chain DQ residue 30 GLU Chi-restraints excluded: chain DQ residue 42 VAL Chi-restraints excluded: chain DQ residue 47 LYS Chi-restraints excluded: chain DR residue 54 ASN Chi-restraints excluded: chain DR residue 59 SER Chi-restraints excluded: chain DR residue 67 ILE Chi-restraints excluded: chain DS residue 30 LEU Chi-restraints excluded: chain DT residue 45 MET Chi-restraints excluded: chain DT residue 47 LYS Chi-restraints excluded: chain DU residue 67 ILE Chi-restraints excluded: chain DV residue 59 SER Chi-restraints excluded: chain DW residue 27 ILE Chi-restraints excluded: chain DX residue 10 THR Chi-restraints excluded: chain DX residue 42 VAL Chi-restraints excluded: chain DX residue 65 LYS Chi-restraints excluded: chain DY residue 67 ILE Chi-restraints excluded: chain DZ residue 45 MET Chi-restraints excluded: chain DZ residue 59 SER Chi-restraints excluded: chain EA residue 57 LEU Chi-restraints excluded: chain EA residue 79 GLU Chi-restraints excluded: chain EB residue 47 LYS Chi-restraints excluded: chain ED residue 10 THR Chi-restraints excluded: chain ED residue 59 SER Chi-restraints excluded: chain EE residue 30 LEU Chi-restraints excluded: chain EF residue 18 GLU Chi-restraints excluded: chain EF residue 45 MET Chi-restraints excluded: chain EF residue 47 LYS Chi-restraints excluded: chain EF residue 49 ASP Chi-restraints excluded: chain EF residue 81 ASN Chi-restraints excluded: chain EG residue 67 ILE Chi-restraints excluded: chain EH residue 35 GLU Chi-restraints excluded: chain EI residue 17 ASP Chi-restraints excluded: chain EI residue 25 LEU Chi-restraints excluded: chain EI residue 27 ILE Chi-restraints excluded: chain EI residue 57 LEU Chi-restraints excluded: chain EJ residue 50 VAL Chi-restraints excluded: chain EJ residue 81 ASN Chi-restraints excluded: chain EJ residue 82 ASP Chi-restraints excluded: chain EK residue 30 GLU Chi-restraints excluded: chain EK residue 42 VAL Chi-restraints excluded: chain EK residue 47 LYS Chi-restraints excluded: chain EL residue 35 GLU Chi-restraints excluded: chain EL residue 59 SER Chi-restraints excluded: chain EL residue 67 ILE Chi-restraints excluded: chain EM residue 32 ASP Chi-restraints excluded: chain EN residue 3 GLU Chi-restraints excluded: chain EN residue 45 MET Chi-restraints excluded: chain EN residue 69 LYS Chi-restraints excluded: chain EN residue 82 ASP Chi-restraints excluded: chain EO residue 30 GLU Chi-restraints excluded: chain EO residue 59 SER Chi-restraints excluded: chain EO residue 67 ILE Chi-restraints excluded: chain EP residue 3 GLU Chi-restraints excluded: chain EP residue 59 SER Chi-restraints excluded: chain EP residue 67 ILE Chi-restraints excluded: chain EQ residue 25 LEU Chi-restraints excluded: chain EQ residue 57 LEU Chi-restraints excluded: chain ER residue 67 ILE Chi-restraints excluded: chain ES residue 10 THR Chi-restraints excluded: chain ET residue 10 THR Chi-restraints excluded: chain ET residue 59 SER Chi-restraints excluded: chain ET residue 66 ARG Chi-restraints excluded: chain EU residue 17 ASP Chi-restraints excluded: chain EU residue 25 LEU Chi-restraints excluded: chain EU residue 27 ILE Chi-restraints excluded: chain EU residue 39 ASP Chi-restraints excluded: chain EU residue 57 LEU Chi-restraints excluded: chain EV residue 47 LYS Chi-restraints excluded: chain EV residue 50 VAL Chi-restraints excluded: chain EW residue 30 GLU Chi-restraints excluded: chain EW residue 42 VAL Chi-restraints excluded: chain EW residue 47 LYS Chi-restraints excluded: chain EX residue 59 SER Chi-restraints excluded: chain EX residue 67 ILE Chi-restraints excluded: chain EY residue 30 LEU Chi-restraints excluded: chain EZ residue 45 MET Chi-restraints excluded: chain EZ residue 47 LYS Chi-restraints excluded: chain EZ residue 65 LYS Chi-restraints excluded: chain FB residue 59 SER Chi-restraints excluded: chain FB residue 78 ARG Chi-restraints excluded: chain FC residue 57 LEU Chi-restraints excluded: chain FC residue 79 GLU Chi-restraints excluded: chain FD residue 67 ILE Chi-restraints excluded: chain FE residue 10 THR Chi-restraints excluded: chain FF residue 10 THR Chi-restraints excluded: chain FF residue 59 SER Chi-restraints excluded: chain FF residue 66 ARG Chi-restraints excluded: chain FF residue 67 ILE Chi-restraints excluded: chain FG residue 16 CYS Chi-restraints excluded: chain FG residue 17 ASP Chi-restraints excluded: chain FH residue 42 VAL Chi-restraints excluded: chain FH residue 65 LYS Chi-restraints excluded: chain FH residue 81 ASN Chi-restraints excluded: chain FH residue 83 ILE Chi-restraints excluded: chain FI residue 34 TYR Chi-restraints excluded: chain FI residue 50 VAL Chi-restraints excluded: chain FI residue 67 ILE Chi-restraints excluded: chain FJ residue 45 MET Chi-restraints excluded: chain FJ residue 47 LYS Chi-restraints excluded: chain FJ residue 78 ARG Chi-restraints excluded: chain FK residue 32 ASP Chi-restraints excluded: chain FL residue 3 GLU Chi-restraints excluded: chain FL residue 39 SER Chi-restraints excluded: chain FL residue 45 MET Chi-restraints excluded: chain FL residue 81 ASN Chi-restraints excluded: chain FL residue 82 ASP Chi-restraints excluded: chain FM residue 30 GLU Chi-restraints excluded: chain FM residue 67 ILE Chi-restraints excluded: chain FN residue 3 GLU Chi-restraints excluded: chain FN residue 59 SER Chi-restraints excluded: chain FN residue 67 ILE Chi-restraints excluded: chain FN residue 73 SER Chi-restraints excluded: chain FO residue 30 LEU Chi-restraints excluded: chain FP residue 45 MET Chi-restraints excluded: chain FP residue 47 LYS Chi-restraints excluded: chain FP residue 65 LYS Chi-restraints excluded: chain FQ residue 67 ILE Chi-restraints excluded: chain FR residue 35 GLU Chi-restraints excluded: chain FS residue 57 LEU Chi-restraints excluded: chain FS residue 79 GLU Chi-restraints excluded: chain FT residue 67 ILE Chi-restraints excluded: chain FU residue 10 THR Chi-restraints excluded: chain FU residue 65 LYS Chi-restraints excluded: chain FV residue 10 THR Chi-restraints excluded: chain FV residue 59 SER Chi-restraints excluded: chain FV residue 66 ARG Chi-restraints excluded: chain FV residue 67 ILE Chi-restraints excluded: chain FX residue 42 VAL Chi-restraints excluded: chain FX residue 61 VAL Chi-restraints excluded: chain FX residue 65 LYS Chi-restraints excluded: chain FY residue 67 ILE Chi-restraints excluded: chain FZ residue 45 MET Chi-restraints excluded: chain FZ residue 59 SER Chi-restraints excluded: chain FZ residue 78 ARG Chi-restraints excluded: chain GA residue 30 LEU Chi-restraints excluded: chain GB residue 45 MET Chi-restraints excluded: chain GB residue 47 LYS Chi-restraints excluded: chain GB residue 65 LYS Chi-restraints excluded: chain GC residue 67 ILE Chi-restraints excluded: chain GE residue 32 ASP Chi-restraints excluded: chain GF residue 3 GLU Chi-restraints excluded: chain GF residue 10 THR Chi-restraints excluded: chain GF residue 39 SER Chi-restraints excluded: chain GF residue 45 MET Chi-restraints excluded: chain GF residue 81 ASN Chi-restraints excluded: chain GG residue 30 GLU Chi-restraints excluded: chain GG residue 59 SER Chi-restraints excluded: chain GG residue 67 ILE Chi-restraints excluded: chain GH residue 3 GLU Chi-restraints excluded: chain GH residue 67 ILE Chi-restraints excluded: chain GI residue 17 ASP Chi-restraints excluded: chain GI residue 25 LEU Chi-restraints excluded: chain GI residue 30 LEU Chi-restraints excluded: chain GI residue 52 MET Chi-restraints excluded: chain GI residue 57 LEU Chi-restraints excluded: chain GJ residue 17 ILE Chi-restraints excluded: chain GJ residue 47 LYS Chi-restraints excluded: chain GJ residue 50 VAL Chi-restraints excluded: chain GJ residue 81 ASN Chi-restraints excluded: chain GJ residue 82 ASP Chi-restraints excluded: chain GK residue 30 GLU Chi-restraints excluded: chain GK residue 45 MET Chi-restraints excluded: chain GL residue 35 GLU Chi-restraints excluded: chain GL residue 54 ASN Chi-restraints excluded: chain GL residue 59 SER Chi-restraints excluded: chain GL residue 67 ILE Chi-restraints excluded: chain GM residue 60 GLU Chi-restraints excluded: chain GN residue 10 THR Chi-restraints excluded: chain GN residue 42 VAL Chi-restraints excluded: chain GN residue 47 LYS Chi-restraints excluded: chain GN residue 65 LYS Chi-restraints excluded: chain GN residue 81 ASN Chi-restraints excluded: chain GO residue 67 ILE Chi-restraints excluded: chain GP residue 59 SER Chi-restraints excluded: chain GQ residue 16 CYS Chi-restraints excluded: chain GQ residue 30 LEU Chi-restraints excluded: chain GQ residue 32 ASP Chi-restraints excluded: chain GR residue 45 MET Chi-restraints excluded: chain GR residue 47 LYS Chi-restraints excluded: chain GR residue 81 ASN Chi-restraints excluded: chain GS residue 67 ILE Chi-restraints excluded: chain GT residue 59 SER Chi-restraints excluded: chain GU residue 39 ASP Chi-restraints excluded: chain GV residue 3 GLU Chi-restraints excluded: chain GV residue 45 MET Chi-restraints excluded: chain GV residue 47 LYS Chi-restraints excluded: chain GV residue 82 ASP Chi-restraints excluded: chain GW residue 30 GLU Chi-restraints excluded: chain GW residue 59 SER Chi-restraints excluded: chain GW residue 67 ILE Chi-restraints excluded: chain GX residue 59 SER Chi-restraints excluded: chain GX residue 67 ILE Chi-restraints excluded: chain GY residue 27 ILE Chi-restraints excluded: chain GY residue 60 GLU Chi-restraints excluded: chain GZ residue 42 VAL Chi-restraints excluded: chain GZ residue 47 LYS Chi-restraints excluded: chain GZ residue 65 LYS Chi-restraints excluded: chain HA residue 67 ILE Chi-restraints excluded: chain HB residue 59 SER Chi-restraints excluded: chain HC residue 17 ASP Chi-restraints excluded: chain HC residue 25 LEU Chi-restraints excluded: chain HC residue 27 ILE Chi-restraints excluded: chain HC residue 39 ASP Chi-restraints excluded: chain HC residue 57 LEU Chi-restraints excluded: chain HD residue 50 VAL Chi-restraints excluded: chain HE residue 30 GLU Chi-restraints excluded: chain HE residue 42 VAL Chi-restraints excluded: chain HE residue 45 MET Chi-restraints excluded: chain HE residue 47 LYS Chi-restraints excluded: chain HF residue 54 ASN Chi-restraints excluded: chain HF residue 59 SER Chi-restraints excluded: chain HF residue 67 ILE Chi-restraints excluded: chain HG residue 57 LEU Chi-restraints excluded: chain HI residue 3 GLU Chi-restraints excluded: chain HI residue 10 THR Chi-restraints excluded: chain HJ residue 10 THR Chi-restraints excluded: chain HJ residue 59 SER Chi-restraints excluded: chain HK residue 32 ASP Chi-restraints excluded: chain HK residue 47 ASN Chi-restraints excluded: chain HL residue 3 GLU Chi-restraints excluded: chain HL residue 39 SER Chi-restraints excluded: chain HL residue 45 MET Chi-restraints excluded: chain HL residue 47 LYS Chi-restraints excluded: chain HL residue 81 ASN Chi-restraints excluded: chain HL residue 82 ASP Chi-restraints excluded: chain HM residue 30 GLU Chi-restraints excluded: chain HM residue 59 SER Chi-restraints excluded: chain HM residue 67 ILE Chi-restraints excluded: chain HN residue 59 SER Chi-restraints excluded: chain HN residue 67 ILE Chi-restraints excluded: chain HN residue 73 SER Chi-restraints excluded: chain HN residue 86 ILE Chi-restraints excluded: chain HO residue 27 ILE Chi-restraints excluded: chain HP residue 42 VAL Chi-restraints excluded: chain HP residue 65 LYS Chi-restraints excluded: chain HP residue 67 ILE Chi-restraints excluded: chain HQ residue 50 VAL Chi-restraints excluded: chain HQ residue 67 ILE Chi-restraints excluded: chain HS residue 25 LEU Chi-restraints excluded: chain HS residue 27 ILE Chi-restraints excluded: chain HS residue 57 LEU Chi-restraints excluded: chain HT residue 50 VAL Chi-restraints excluded: chain HU residue 30 GLU Chi-restraints excluded: chain HU residue 42 VAL Chi-restraints excluded: chain HU residue 47 LYS Chi-restraints excluded: chain HV residue 59 SER Chi-restraints excluded: chain HV residue 65 LYS Chi-restraints excluded: chain HV residue 67 ILE Chi-restraints excluded: chain HW residue 32 ASP Chi-restraints excluded: chain HX residue 3 GLU Chi-restraints excluded: chain HX residue 39 SER Chi-restraints excluded: chain HX residue 45 MET Chi-restraints excluded: chain HX residue 65 LYS Chi-restraints excluded: chain HX residue 81 ASN Chi-restraints excluded: chain HX residue 82 ASP Chi-restraints excluded: chain HY residue 30 GLU Chi-restraints excluded: chain HY residue 59 SER Chi-restraints excluded: chain HY residue 67 ILE Chi-restraints excluded: chain HZ residue 3 GLU Chi-restraints excluded: chain HZ residue 59 SER Chi-restraints excluded: chain HZ residue 67 ILE Chi-restraints excluded: chain HZ residue 73 SER Chi-restraints excluded: chain IA residue 30 LEU Chi-restraints excluded: chain IA residue 32 ASP Chi-restraints excluded: chain IA residue 57 LEU Chi-restraints excluded: chain IB residue 47 LYS Chi-restraints excluded: chain IB residue 67 ILE Chi-restraints excluded: chain IC residue 10 THR Chi-restraints excluded: chain ID residue 10 THR Chi-restraints excluded: chain ID residue 59 SER Chi-restraints excluded: chain ID residue 66 ARG Chi-restraints excluded: chain IE residue 30 LEU Chi-restraints excluded: chain IF residue 30 GLU Chi-restraints excluded: chain IF residue 39 SER Chi-restraints excluded: chain IF residue 45 MET Chi-restraints excluded: chain IG residue 67 ILE Chi-restraints excluded: chain IH residue 66 ARG Chi-restraints excluded: chain II residue 17 ASP Chi-restraints excluded: chain II residue 25 LEU Chi-restraints excluded: chain II residue 30 LEU Chi-restraints excluded: chain II residue 57 LEU Chi-restraints excluded: chain IJ residue 50 VAL Chi-restraints excluded: chain IK residue 30 GLU Chi-restraints excluded: chain IK residue 34 TYR Chi-restraints excluded: chain IL residue 35 GLU Chi-restraints excluded: chain IL residue 59 SER Chi-restraints excluded: chain IL residue 67 ILE Chi-restraints excluded: chain IM residue 32 ASP Chi-restraints excluded: chain IM residue 39 ASP Chi-restraints excluded: chain IN residue 3 GLU Chi-restraints excluded: chain IN residue 45 MET Chi-restraints excluded: chain IN residue 82 ASP Chi-restraints excluded: chain IO residue 30 GLU Chi-restraints excluded: chain IO residue 59 SER Chi-restraints excluded: chain IO residue 67 ILE Chi-restraints excluded: chain IP residue 3 GLU Chi-restraints excluded: chain IP residue 67 ILE Chi-restraints excluded: chain IQ residue 25 LEU Chi-restraints excluded: chain IQ residue 32 ASP Chi-restraints excluded: chain IQ residue 57 LEU Chi-restraints excluded: chain IQ residue 79 GLU Chi-restraints excluded: chain IR residue 67 ILE Chi-restraints excluded: chain IS residue 10 THR Chi-restraints excluded: chain IT residue 10 THR Chi-restraints excluded: chain IT residue 59 SER Chi-restraints excluded: chain IT residue 66 ARG Chi-restraints excluded: chain IU residue 17 ASP Chi-restraints excluded: chain IU residue 25 LEU Chi-restraints excluded: chain IU residue 27 ILE Chi-restraints excluded: chain IU residue 47 ASN Chi-restraints excluded: chain IU residue 57 LEU Chi-restraints excluded: chain IV residue 3 GLU Chi-restraints excluded: chain IV residue 47 LYS Chi-restraints excluded: chain IV residue 50 VAL Chi-restraints excluded: chain IW residue 30 GLU Chi-restraints excluded: chain IW residue 42 VAL Chi-restraints excluded: chain IW residue 47 LYS Chi-restraints excluded: chain IX residue 35 GLU Chi-restraints excluded: chain IX residue 59 SER Chi-restraints excluded: chain IX residue 67 ILE Chi-restraints excluded: chain IY residue 30 LEU Chi-restraints excluded: chain IZ residue 45 MET Chi-restraints excluded: chain IZ residue 47 LYS Chi-restraints excluded: chain IZ residue 65 LYS Chi-restraints excluded: chain IZ residue 81 ASN Chi-restraints excluded: chain JA residue 67 ILE Chi-restraints excluded: chain JB residue 54 ASN Chi-restraints excluded: chain JC residue 27 ILE Chi-restraints excluded: chain JC residue 60 GLU Chi-restraints excluded: chain JD residue 42 VAL Chi-restraints excluded: chain JD residue 59 SER Chi-restraints excluded: chain JD residue 65 LYS Chi-restraints excluded: chain JD residue 81 ASN Chi-restraints excluded: chain JE residue 67 ILE Chi-restraints excluded: chain JE residue 72 SER Chi-restraints excluded: chain JE residue 73 SER Chi-restraints excluded: chain JF residue 45 MET Chi-restraints excluded: chain JF residue 59 SER Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1683 optimal weight: 0.5980 chunk 1772 optimal weight: 5.9990 chunk 1617 optimal weight: 5.9990 chunk 1724 optimal weight: 5.9990 chunk 1037 optimal weight: 4.9990 chunk 751 optimal weight: 20.0000 chunk 1354 optimal weight: 0.6980 chunk 529 optimal weight: 10.0000 chunk 1558 optimal weight: 7.9990 chunk 1631 optimal weight: 0.5980 chunk 1718 optimal weight: 10.0000 overall best weight: 2.5784 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AY 53 HIS CQ 53 HIS FC 53 HIS GY 53 HIS HK 53 HIS Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8285 moved from start: 0.3910 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.025 142200 Z= 0.203 Angle : 0.502 9.990 191940 Z= 0.280 Chirality : 0.041 0.157 23940 Planarity : 0.002 0.019 24720 Dihedral : 4.592 28.573 20400 Min Nonbonded Distance : 2.083 Molprobity Statistics. All-atom Clashscore : 5.08 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.90 % Favored : 98.10 % Rotamer: Outliers : 3.66 % Allowed : 25.63 % Favored : 70.72 % 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: 0.20 (0.06), residues: 19140 helix: 1.87 (0.07), residues: 5940 sheet: 0.41 (0.07), residues: 6600 loop : -1.83 (0.07), residues: 6600 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.003 0.001 TRPJC 42 HIS 0.002 0.000 HISDX 80 PHE 0.004 0.001 PHEGA 62 TYR 0.012 0.001 TYRHA 34 ARG 0.003 0.000 ARGIT 78 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5140 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 531 poor density : 4609 time to evaluate : 12.176 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AB 3 GLU cc_start: 0.7482 (mm-30) cc_final: 0.7279 (mm-30) REVERT: AC 35 GLU cc_start: 0.7775 (tt0) cc_final: 0.7556 (mt-10) REVERT: AC 47 LYS cc_start: 0.8766 (ptmm) cc_final: 0.8451 (pttp) REVERT: AH 54 ASN cc_start: 0.7940 (t0) cc_final: 0.7638 (m-40) REVERT: AI 47 ASN cc_start: 0.8588 (OUTLIER) cc_final: 0.8297 (m-40) REVERT: AJ 11 LYS cc_start: 0.8248 (tptp) cc_final: 0.7972 (tptp) REVERT: AK 82 ASP cc_start: 0.7024 (m-30) cc_final: 0.6814 (m-30) REVERT: AN 3 GLU cc_start: 0.7602 (mm-30) cc_final: 0.7270 (mm-30) REVERT: AO 47 LYS cc_start: 0.8746 (ptmm) cc_final: 0.8443 (pttp) REVERT: AP 9 GLU cc_start: 0.8200 (tt0) cc_final: 0.7924 (tt0) REVERT: AP 66 ARG cc_start: 0.7604 (OUTLIER) cc_final: 0.7300 (ttm170) REVERT: AQ 60 GLU cc_start: 0.7000 (mm-30) cc_final: 0.6585 (mp0) REVERT: AR 66 ARG cc_start: 0.8010 (ttm-80) cc_final: 0.7668 (mtm-85) REVERT: AW 65 LYS cc_start: 0.8643 (ttmm) cc_final: 0.8415 (ttpp) REVERT: AY 47 ASN cc_start: 0.8579 (OUTLIER) cc_final: 0.8287 (m-40) REVERT: AZ 11 LYS cc_start: 0.8270 (tptp) cc_final: 0.8001 (tptp) REVERT: BA 82 ASP cc_start: 0.7014 (m-30) cc_final: 0.6790 (m-30) REVERT: BD 3 GLU cc_start: 0.7603 (mm-30) cc_final: 0.7280 (mm-30) REVERT: BF 66 ARG cc_start: 0.7665 (OUTLIER) cc_final: 0.7025 (ptp90) REVERT: BJ 47 LYS cc_start: 0.8675 (ttpt) cc_final: 0.8395 (ttmm) REVERT: BJ 65 LYS cc_start: 0.8730 (ttmm) cc_final: 0.8505 (ttmt) REVERT: BM 82 ASP cc_start: 0.7024 (m-30) cc_final: 0.6805 (m-30) REVERT: BN 47 LYS cc_start: 0.8796 (ttpt) cc_final: 0.8477 (tttp) REVERT: BQ 65 LYS cc_start: 0.8627 (ttmm) cc_final: 0.8332 (ttpp) REVERT: BR 66 ARG cc_start: 0.7651 (ttp-170) cc_final: 0.7392 (mtm-85) REVERT: BR 78 ARG cc_start: 0.8448 (OUTLIER) cc_final: 0.7702 (mtp85) REVERT: BW 60 GLU cc_start: 0.7023 (mm-30) cc_final: 0.6637 (mp0) REVERT: BZ 47 LYS cc_start: 0.8589 (ttpt) cc_final: 0.8386 (ttmt) REVERT: BZ 86 ILE cc_start: 0.8304 (mm) cc_final: 0.7542 (mt) REVERT: CA 47 ASN cc_start: 0.8598 (OUTLIER) cc_final: 0.8321 (m-40) REVERT: CF 65 LYS cc_start: 0.8634 (OUTLIER) cc_final: 0.8261 (mttm) REVERT: CL 65 LYS cc_start: 0.8689 (ttmm) cc_final: 0.8447 (ttmm) REVERT: CP 78 ARG cc_start: 0.8327 (OUTLIER) cc_final: 0.8106 (ptp-110) REVERT: CQ 38 LYS cc_start: 0.8429 (ttpp) cc_final: 0.8166 (tttm) REVERT: CT 66 ARG cc_start: 0.7680 (OUTLIER) cc_final: 0.7332 (ptp90) REVERT: CW 65 LYS cc_start: 0.8620 (ttmm) cc_final: 0.8334 (ttpp) REVERT: CX 66 ARG cc_start: 0.7677 (ttp-170) cc_final: 0.7382 (mtm-85) REVERT: CZ 11 LYS cc_start: 0.8357 (tptp) cc_final: 0.7969 (tptp) REVERT: DD 10 THR cc_start: 0.8724 (p) cc_final: 0.8471 (m) REVERT: DH 65 LYS cc_start: 0.8604 (OUTLIER) cc_final: 0.8201 (mttm) REVERT: DH 83 ILE cc_start: 0.7405 (OUTLIER) cc_final: 0.7151 (mp) REVERT: DM 3 GLU cc_start: 0.7567 (OUTLIER) cc_final: 0.7180 (mt-10) REVERT: DM 47 LYS cc_start: 0.8775 (ptmm) cc_final: 0.8466 (pttp) REVERT: DN 65 LYS cc_start: 0.8433 (ttmm) cc_final: 0.7952 (mttp) REVERT: DN 82 ASP cc_start: 0.8252 (m-30) cc_final: 0.8025 (m-30) REVERT: DO 47 ASN cc_start: 0.8579 (OUTLIER) cc_final: 0.8304 (m-40) REVERT: DP 11 LYS cc_start: 0.8198 (tptp) cc_final: 0.7955 (tptp) REVERT: DQ 82 ASP cc_start: 0.7017 (m-30) cc_final: 0.6789 (m-30) REVERT: DT 10 THR cc_start: 0.8764 (p) cc_final: 0.8540 (m) REVERT: DV 66 ARG cc_start: 0.7627 (ttm170) cc_final: 0.7234 (ttp-170) REVERT: DX 65 LYS cc_start: 0.8642 (OUTLIER) cc_final: 0.8326 (mtpp) REVERT: DZ 66 ARG cc_start: 0.7722 (ttp-170) cc_final: 0.7418 (mtm-85) REVERT: EC 82 ASP cc_start: 0.7453 (m-30) cc_final: 0.7246 (m-30) REVERT: ED 66 ARG cc_start: 0.7532 (ttp-170) cc_final: 0.6914 (ptp90) REVERT: EF 10 THR cc_start: 0.8843 (p) cc_final: 0.8596 (m) REVERT: EF 66 ARG cc_start: 0.7895 (ttm-80) cc_final: 0.7618 (mtm-85) REVERT: EH 78 ARG cc_start: 0.8329 (ptp-110) cc_final: 0.8117 (ptp-110) REVERT: EK 69 LYS cc_start: 0.8729 (ttpt) cc_final: 0.8472 (ttpp) REVERT: EK 82 ASP cc_start: 0.7112 (m-30) cc_final: 0.6866 (m-30) REVERT: EN 66 ARG cc_start: 0.8081 (ttm110) cc_final: 0.7656 (mtm180) REVERT: EP 23 MET cc_start: 0.8108 (mtp) cc_final: 0.7765 (mtp) REVERT: EP 65 LYS cc_start: 0.8685 (ttmm) cc_final: 0.8453 (ttmm) REVERT: EQ 38 LYS cc_start: 0.8421 (ttpp) cc_final: 0.8182 (tttm) REVERT: ES 47 LYS cc_start: 0.8760 (ptmm) cc_final: 0.8452 (pttp) REVERT: ET 66 ARG cc_start: 0.7614 (OUTLIER) cc_final: 0.7167 (ptp90) REVERT: EV 47 LYS cc_start: 0.8292 (OUTLIER) cc_final: 0.7961 (ttmm) REVERT: EW 82 ASP cc_start: 0.7059 (m-30) cc_final: 0.6840 (m-30) REVERT: FB 78 ARG cc_start: 0.8361 (OUTLIER) cc_final: 0.8149 (ptp-110) REVERT: FF 9 GLU cc_start: 0.8223 (tt0) cc_final: 0.7955 (tt0) REVERT: FF 66 ARG cc_start: 0.7652 (OUTLIER) cc_final: 0.7131 (ptp90) REVERT: FH 83 ILE cc_start: 0.7414 (OUTLIER) cc_final: 0.7160 (mp) REVERT: FN 47 LYS cc_start: 0.8652 (ttpt) cc_final: 0.8367 (ttmm) REVERT: FP 10 THR cc_start: 0.8737 (p) cc_final: 0.8479 (m) REVERT: FU 47 LYS cc_start: 0.8775 (ptmm) cc_final: 0.8475 (pttp) REVERT: FV 9 GLU cc_start: 0.8241 (tt0) cc_final: 0.7968 (tt0) REVERT: FV 66 ARG cc_start: 0.7648 (OUTLIER) cc_final: 0.7078 (ptp90) REVERT: FV 82 ASP cc_start: 0.8257 (m-30) cc_final: 0.8034 (m-30) REVERT: FX 65 LYS cc_start: 0.8653 (OUTLIER) cc_final: 0.8395 (mttm) REVERT: FY 65 LYS cc_start: 0.8624 (ttmm) cc_final: 0.8329 (ttpp) REVERT: FZ 66 ARG cc_start: 0.7671 (ttp-170) cc_final: 0.7379 (mtm-85) REVERT: GB 66 ARG cc_start: 0.7935 (ttm-80) cc_final: 0.7673 (mtm-85) REVERT: GD 78 ARG cc_start: 0.8396 (ptp-110) cc_final: 0.8161 (ptp-110) REVERT: GF 66 ARG cc_start: 0.8137 (ttm110) cc_final: 0.7871 (mtm-85) REVERT: GH 23 MET cc_start: 0.8183 (mtp) cc_final: 0.7969 (mtp) REVERT: GH 47 LYS cc_start: 0.8739 (ttpt) cc_final: 0.8354 (ttmm) REVERT: GI 30 LEU cc_start: 0.9162 (OUTLIER) cc_final: 0.8833 (pp) REVERT: GK 82 ASP cc_start: 0.7013 (m-30) cc_final: 0.6755 (m-30) REVERT: GN 65 LYS cc_start: 0.8680 (OUTLIER) cc_final: 0.8373 (mtpp) REVERT: GO 82 ASP cc_start: 0.7504 (m-30) cc_final: 0.7240 (m-30) REVERT: GQ 80 LYS cc_start: 0.8716 (OUTLIER) cc_final: 0.8053 (mtmt) REVERT: GR 18 GLU cc_start: 0.7476 (OUTLIER) cc_final: 0.7264 (tp30) REVERT: GV 66 ARG cc_start: 0.8061 (ttm110) cc_final: 0.7664 (mtm180) REVERT: GX 47 LYS cc_start: 0.8574 (ttpt) cc_final: 0.8371 (ttmt) REVERT: GX 85 LYS cc_start: 0.8116 (pttp) cc_final: 0.7863 (pttp) REVERT: GX 86 ILE cc_start: 0.8404 (mm) cc_final: 0.7689 (mt) REVERT: GZ 65 LYS cc_start: 0.8608 (OUTLIER) cc_final: 0.8219 (mttm) REVERT: HD 11 LYS cc_start: 0.8366 (tptp) cc_final: 0.8128 (tptp) REVERT: HF 66 ARG cc_start: 0.7917 (ttm-80) cc_final: 0.7659 (mtm-85) REVERT: HF 78 ARG cc_start: 0.8354 (ptp-110) cc_final: 0.7802 (ptp-110) REVERT: HL 66 ARG cc_start: 0.7881 (ttp-170) cc_final: 0.7644 (mtt180) REVERT: HN 23 MET cc_start: 0.8078 (mtp) cc_final: 0.7691 (mtp) REVERT: HP 65 LYS cc_start: 0.8631 (OUTLIER) cc_final: 0.8244 (mttm) REVERT: HR 66 ARG cc_start: 0.7612 (ttp-170) cc_final: 0.7411 (ttm-80) REVERT: HT 11 LYS cc_start: 0.8228 (tptp) cc_final: 0.7995 (tptp) REVERT: HU 69 LYS cc_start: 0.8678 (ttpt) cc_final: 0.8424 (ttpp) REVERT: HU 82 ASP cc_start: 0.6977 (m-30) cc_final: 0.6757 (m-30) REVERT: HV 78 ARG cc_start: 0.8372 (ptp-110) cc_final: 0.7840 (ptp-170) REVERT: HW 60 GLU cc_start: 0.7022 (mm-30) cc_final: 0.6614 (mp0) REVERT: HZ 23 MET cc_start: 0.8091 (mtp) cc_final: 0.7796 (mtp) REVERT: HZ 47 LYS cc_start: 0.8668 (ttpt) cc_final: 0.8383 (ttmm) REVERT: HZ 66 ARG cc_start: 0.7551 (ttm110) cc_final: 0.7260 (ttp-170) REVERT: IB 3 GLU cc_start: 0.7565 (mm-30) cc_final: 0.7330 (mm-30) REVERT: IC 47 LYS cc_start: 0.8764 (ptmm) cc_final: 0.8458 (pttp) REVERT: ID 66 ARG cc_start: 0.7650 (OUTLIER) cc_final: 0.7159 (ptp90) REVERT: ID 82 ASP cc_start: 0.8240 (m-30) cc_final: 0.8005 (m-30) REVERT: IH 54 ASN cc_start: 0.7894 (t0) cc_final: 0.7685 (m-40) REVERT: IH 66 ARG cc_start: 0.7718 (OUTLIER) cc_final: 0.7469 (ttp-170) REVERT: II 30 LEU cc_start: 0.9141 (OUTLIER) cc_final: 0.8782 (pp) REVERT: IP 47 LYS cc_start: 0.8764 (ttpt) cc_final: 0.8373 (ttmm) REVERT: IR 3 GLU cc_start: 0.7721 (mm-30) cc_final: 0.7321 (mm-30) REVERT: IS 47 LYS cc_start: 0.8754 (ptmm) cc_final: 0.8460 (pttp) REVERT: IT 66 ARG cc_start: 0.7668 (OUTLIER) cc_final: 0.7132 (ptp90) REVERT: IT 82 ASP cc_start: 0.8251 (m-30) cc_final: 0.8026 (m-30) REVERT: IU 47 ASN cc_start: 0.8610 (OUTLIER) cc_final: 0.8287 (m-40) REVERT: IW 82 ASP cc_start: 0.7108 (m-30) cc_final: 0.6867 (m-30) REVERT: IZ 66 ARG cc_start: 0.7909 (ttm-80) cc_final: 0.7701 (mtm-85) REVERT: JD 67 ILE cc_start: 0.8848 (pt) cc_final: 0.8581 (pt) REVERT: JF 9 GLU cc_start: 0.8479 (tt0) cc_final: 0.8174 (tt0) outliers start: 531 outliers final: 435 residues processed: 4828 average time/residue: 1.3073 time to fit residues: 10639.3742 Evaluate side-chains 5019 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 467 poor density : 4552 time to evaluate : 11.826 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 57 LEU Chi-restraints excluded: chain AB residue 7 LEU Chi-restraints excluded: chain AD residue 10 THR Chi-restraints excluded: chain AD residue 59 SER Chi-restraints excluded: chain AD residue 67 ILE Chi-restraints excluded: chain AE residue 30 LEU Chi-restraints excluded: chain AE residue 32 ASP Chi-restraints excluded: chain AF residue 45 MET Chi-restraints excluded: chain AF residue 47 LYS Chi-restraints excluded: chain AF residue 81 ASN Chi-restraints excluded: chain AG residue 67 ILE Chi-restraints excluded: chain AI residue 17 ASP Chi-restraints excluded: chain AI residue 25 LEU Chi-restraints excluded: chain AI residue 27 ILE Chi-restraints excluded: chain AI residue 47 ASN Chi-restraints excluded: chain AI residue 57 LEU Chi-restraints excluded: chain AJ residue 50 VAL Chi-restraints excluded: chain AJ residue 81 ASN Chi-restraints excluded: chain AJ residue 82 ASP Chi-restraints excluded: chain AK residue 30 GLU Chi-restraints excluded: chain AL residue 35 GLU Chi-restraints excluded: chain AL residue 59 SER Chi-restraints excluded: chain AL residue 67 ILE Chi-restraints excluded: chain AM residue 30 LEU Chi-restraints excluded: chain AM residue 47 ASN Chi-restraints excluded: chain AM residue 57 LEU Chi-restraints excluded: chain AM residue 79 GLU Chi-restraints excluded: chain AN residue 7 LEU Chi-restraints excluded: chain AN residue 49 ASP Chi-restraints excluded: chain AP residue 10 THR Chi-restraints excluded: chain AP residue 59 SER Chi-restraints excluded: chain AP residue 66 ARG Chi-restraints excluded: chain AQ residue 32 ASP Chi-restraints excluded: chain AR residue 3 GLU Chi-restraints excluded: chain AR residue 10 THR Chi-restraints excluded: chain AR residue 45 MET Chi-restraints excluded: chain AR residue 81 ASN Chi-restraints excluded: chain AR residue 82 ASP Chi-restraints excluded: chain AS residue 59 SER Chi-restraints excluded: chain AS residue 67 ILE Chi-restraints excluded: chain AT residue 59 SER Chi-restraints excluded: chain AT residue 73 SER Chi-restraints excluded: chain AU residue 27 ILE Chi-restraints excluded: chain AV residue 59 SER Chi-restraints excluded: chain AV residue 65 LYS Chi-restraints excluded: chain AW residue 67 ILE Chi-restraints excluded: chain AX residue 59 SER Chi-restraints excluded: chain AY residue 17 ASP Chi-restraints excluded: chain AY residue 25 LEU Chi-restraints excluded: chain AY residue 47 ASN Chi-restraints excluded: chain AY residue 57 LEU Chi-restraints excluded: chain AZ residue 50 VAL Chi-restraints excluded: chain BA residue 30 GLU Chi-restraints excluded: chain BB residue 35 GLU Chi-restraints excluded: chain BB residue 59 SER Chi-restraints excluded: chain BC residue 7 THR Chi-restraints excluded: chain BC residue 30 LEU Chi-restraints excluded: chain BC residue 32 ASP Chi-restraints excluded: chain BC residue 57 LEU Chi-restraints excluded: chain BC residue 79 GLU Chi-restraints excluded: chain BF residue 10 THR Chi-restraints excluded: chain BF residue 59 SER Chi-restraints excluded: chain BF residue 66 ARG Chi-restraints excluded: chain BF residue 67 ILE Chi-restraints excluded: chain BG residue 32 ASP Chi-restraints excluded: chain BG residue 47 ASN Chi-restraints excluded: chain BH residue 3 GLU Chi-restraints excluded: chain BH residue 10 THR Chi-restraints excluded: chain BH residue 59 SER Chi-restraints excluded: chain BH residue 81 ASN Chi-restraints excluded: chain BH residue 82 ASP Chi-restraints excluded: chain BI residue 30 GLU Chi-restraints excluded: chain BI residue 59 SER Chi-restraints excluded: chain BI residue 67 ILE Chi-restraints excluded: chain BK residue 25 LEU Chi-restraints excluded: chain BK residue 27 ILE Chi-restraints excluded: chain BK residue 57 LEU Chi-restraints excluded: chain BL residue 47 LYS Chi-restraints excluded: chain BL residue 50 VAL Chi-restraints excluded: chain BM residue 30 GLU Chi-restraints excluded: chain BM residue 45 MET Chi-restraints excluded: chain BN residue 35 GLU Chi-restraints excluded: chain BN residue 59 SER Chi-restraints excluded: chain BN residue 67 ILE Chi-restraints excluded: chain BO residue 60 GLU Chi-restraints excluded: chain BQ residue 67 ILE Chi-restraints excluded: chain BR residue 59 SER Chi-restraints excluded: chain BR residue 78 ARG Chi-restraints excluded: chain BS residue 30 LEU Chi-restraints excluded: chain BT residue 45 MET Chi-restraints excluded: chain BT residue 47 LYS Chi-restraints excluded: chain BU residue 67 ILE Chi-restraints excluded: chain BV residue 35 GLU Chi-restraints excluded: chain BV residue 59 SER Chi-restraints excluded: chain BW residue 32 ASP Chi-restraints excluded: chain BW residue 47 ASN Chi-restraints excluded: chain BX residue 3 GLU Chi-restraints excluded: chain BX residue 45 MET Chi-restraints excluded: chain BX residue 59 SER Chi-restraints excluded: chain BY residue 30 GLU Chi-restraints excluded: chain BY residue 47 LYS Chi-restraints excluded: chain BY residue 67 ILE Chi-restraints excluded: chain BZ residue 59 SER Chi-restraints excluded: chain BZ residue 67 ILE Chi-restraints excluded: chain CA residue 17 ASP Chi-restraints excluded: chain CA residue 25 LEU Chi-restraints excluded: chain CA residue 47 ASN Chi-restraints excluded: chain CA residue 57 LEU Chi-restraints excluded: chain CB residue 50 VAL Chi-restraints excluded: chain CB residue 81 ASN Chi-restraints excluded: chain CB residue 82 ASP Chi-restraints excluded: chain CC residue 30 GLU Chi-restraints excluded: chain CD residue 35 GLU Chi-restraints excluded: chain CD residue 59 SER Chi-restraints excluded: chain CE residue 27 ILE Chi-restraints excluded: chain CF residue 65 LYS Chi-restraints excluded: chain CG residue 67 ILE Chi-restraints excluded: chain CH residue 59 SER Chi-restraints excluded: chain CH residue 78 ARG Chi-restraints excluded: chain CI residue 32 ASP Chi-restraints excluded: chain CJ residue 3 GLU Chi-restraints excluded: chain CJ residue 59 SER Chi-restraints excluded: chain CJ residue 81 ASN Chi-restraints excluded: chain CK residue 7 LEU Chi-restraints excluded: chain CK residue 59 SER Chi-restraints excluded: chain CK residue 67 ILE Chi-restraints excluded: chain CL residue 73 SER Chi-restraints excluded: chain CM residue 30 LEU Chi-restraints excluded: chain CM residue 32 ASP Chi-restraints excluded: chain CN residue 45 MET Chi-restraints excluded: chain CN residue 47 LYS Chi-restraints excluded: chain CO residue 67 ILE Chi-restraints excluded: chain CP residue 78 ARG Chi-restraints excluded: chain CQ residue 25 LEU Chi-restraints excluded: chain CQ residue 32 ASP Chi-restraints excluded: chain CQ residue 57 LEU Chi-restraints excluded: chain CQ residue 79 GLU Chi-restraints excluded: chain CR residue 7 LEU Chi-restraints excluded: chain CT residue 10 THR Chi-restraints excluded: chain CT residue 59 SER Chi-restraints excluded: chain CT residue 66 ARG Chi-restraints excluded: chain CT residue 67 ILE Chi-restraints excluded: chain CU residue 27 ILE Chi-restraints excluded: chain CU residue 60 GLU Chi-restraints excluded: chain CV residue 47 LYS Chi-restraints excluded: chain CW residue 67 ILE Chi-restraints excluded: chain CX residue 59 SER Chi-restraints excluded: chain CY residue 39 ASP Chi-restraints excluded: chain CY residue 47 ASN Chi-restraints excluded: chain CY residue 52 MET Chi-restraints excluded: chain CZ residue 10 THR Chi-restraints excluded: chain CZ residue 45 MET Chi-restraints excluded: chain CZ residue 59 SER Chi-restraints excluded: chain DA residue 30 GLU Chi-restraints excluded: chain DA residue 59 SER Chi-restraints excluded: chain DA residue 67 ILE Chi-restraints excluded: chain DB residue 59 SER Chi-restraints excluded: chain DB residue 67 ILE Chi-restraints excluded: chain DB residue 73 SER Chi-restraints excluded: chain DC residue 30 LEU Chi-restraints excluded: chain DC residue 32 ASP Chi-restraints excluded: chain DD residue 45 MET Chi-restraints excluded: chain DD residue 47 LYS Chi-restraints excluded: chain DD residue 81 ASN Chi-restraints excluded: chain DE residue 67 ILE Chi-restraints excluded: chain DF residue 59 SER Chi-restraints excluded: chain DG residue 30 LEU Chi-restraints excluded: chain DG residue 60 GLU Chi-restraints excluded: chain DH residue 65 LYS Chi-restraints excluded: chain DH residue 81 ASN Chi-restraints excluded: chain DH residue 83 ILE Chi-restraints excluded: chain DI residue 50 VAL Chi-restraints excluded: chain DI residue 67 ILE Chi-restraints excluded: chain DK residue 32 ASP Chi-restraints excluded: chain DK residue 57 LEU Chi-restraints excluded: chain DK residue 60 GLU Chi-restraints excluded: chain DK residue 79 GLU Chi-restraints excluded: chain DL residue 7 LEU Chi-restraints excluded: chain DL residue 47 LYS Chi-restraints excluded: chain DL residue 67 ILE Chi-restraints excluded: chain DL residue 82 ASP Chi-restraints excluded: chain DM residue 3 GLU Chi-restraints excluded: chain DN residue 10 THR Chi-restraints excluded: chain DN residue 59 SER Chi-restraints excluded: chain DO residue 17 ASP Chi-restraints excluded: chain DO residue 25 LEU Chi-restraints excluded: chain DO residue 27 ILE Chi-restraints excluded: chain DO residue 47 ASN Chi-restraints excluded: chain DO residue 57 LEU Chi-restraints excluded: chain DQ residue 30 GLU Chi-restraints excluded: chain DR residue 59 SER Chi-restraints excluded: chain DS residue 30 LEU Chi-restraints excluded: chain DS residue 32 ASP Chi-restraints excluded: chain DT residue 45 MET Chi-restraints excluded: chain DT residue 47 LYS Chi-restraints excluded: chain DU residue 67 ILE Chi-restraints excluded: chain DV residue 59 SER Chi-restraints excluded: chain DV residue 67 ILE Chi-restraints excluded: chain DW residue 27 ILE Chi-restraints excluded: chain DX residue 10 THR Chi-restraints excluded: chain DX residue 65 LYS Chi-restraints excluded: chain DY residue 67 ILE Chi-restraints excluded: chain DZ residue 59 SER Chi-restraints excluded: chain EA residue 57 LEU Chi-restraints excluded: chain EA residue 79 GLU Chi-restraints excluded: chain EB residue 47 LYS Chi-restraints excluded: chain EC residue 65 LYS Chi-restraints excluded: chain ED residue 10 THR Chi-restraints excluded: chain ED residue 59 SER Chi-restraints excluded: chain EE residue 30 LEU Chi-restraints excluded: chain EF residue 45 MET Chi-restraints excluded: chain EF residue 47 LYS Chi-restraints excluded: chain EF residue 81 ASN Chi-restraints excluded: chain EG residue 67 ILE Chi-restraints excluded: chain EH residue 35 GLU Chi-restraints excluded: chain EI residue 17 ASP Chi-restraints excluded: chain EI residue 25 LEU Chi-restraints excluded: chain EI residue 27 ILE Chi-restraints excluded: chain EI residue 57 LEU Chi-restraints excluded: chain EJ residue 50 VAL Chi-restraints excluded: chain EJ residue 81 ASN Chi-restraints excluded: chain EJ residue 82 ASP Chi-restraints excluded: chain EK residue 30 GLU Chi-restraints excluded: chain EL residue 35 GLU Chi-restraints excluded: chain EL residue 59 SER Chi-restraints excluded: chain EL residue 67 ILE Chi-restraints excluded: chain EM residue 32 ASP Chi-restraints excluded: chain EN residue 3 GLU Chi-restraints excluded: chain EN residue 45 MET Chi-restraints excluded: chain EN residue 69 LYS Chi-restraints excluded: chain EO residue 59 SER Chi-restraints excluded: chain EO residue 67 ILE Chi-restraints excluded: chain EP residue 3 GLU Chi-restraints excluded: chain EP residue 59 SER Chi-restraints excluded: chain EQ residue 25 LEU Chi-restraints excluded: chain EQ residue 57 LEU Chi-restraints excluded: chain ER residue 7 LEU Chi-restraints excluded: chain ER residue 49 ASP Chi-restraints excluded: chain ER residue 67 ILE Chi-restraints excluded: chain ET residue 10 THR Chi-restraints excluded: chain ET residue 59 SER Chi-restraints excluded: chain ET residue 66 ARG Chi-restraints excluded: chain EU residue 25 LEU Chi-restraints excluded: chain EU residue 27 ILE Chi-restraints excluded: chain EU residue 57 LEU Chi-restraints excluded: chain EV residue 47 LYS Chi-restraints excluded: chain EV residue 50 VAL Chi-restraints excluded: chain EW residue 30 GLU Chi-restraints excluded: chain EX residue 59 SER Chi-restraints excluded: chain EY residue 30 LEU Chi-restraints excluded: chain EY residue 32 ASP Chi-restraints excluded: chain EZ residue 47 LYS Chi-restraints excluded: chain FB residue 59 SER Chi-restraints excluded: chain FB residue 78 ARG Chi-restraints excluded: chain FC residue 57 LEU Chi-restraints excluded: chain FC residue 79 GLU Chi-restraints excluded: chain FF residue 10 THR Chi-restraints excluded: chain FF residue 59 SER Chi-restraints excluded: chain FF residue 66 ARG Chi-restraints excluded: chain FG residue 16 CYS Chi-restraints excluded: chain FG residue 17 ASP Chi-restraints excluded: chain FH residue 65 LYS Chi-restraints excluded: chain FH residue 81 ASN Chi-restraints excluded: chain FH residue 83 ILE Chi-restraints excluded: chain FI residue 50 VAL Chi-restraints excluded: chain FI residue 67 ILE Chi-restraints excluded: chain FK residue 32 ASP Chi-restraints excluded: chain FL residue 3 GLU Chi-restraints excluded: chain FL residue 39 SER Chi-restraints excluded: chain FL residue 45 MET Chi-restraints excluded: chain FL residue 81 ASN Chi-restraints excluded: chain FM residue 30 GLU Chi-restraints excluded: chain FM residue 67 ILE Chi-restraints excluded: chain FN residue 3 GLU Chi-restraints excluded: chain FN residue 59 SER Chi-restraints excluded: chain FN residue 67 ILE Chi-restraints excluded: chain FN residue 73 SER Chi-restraints excluded: chain FN residue 85 LYS Chi-restraints excluded: chain FO residue 30 LEU Chi-restraints excluded: chain FP residue 45 MET Chi-restraints excluded: chain FP residue 47 LYS Chi-restraints excluded: chain FQ residue 67 ILE Chi-restraints excluded: chain FR residue 35 GLU Chi-restraints excluded: chain FS residue 25 LEU Chi-restraints excluded: chain FS residue 57 LEU Chi-restraints excluded: chain FS residue 79 GLU Chi-restraints excluded: chain FT residue 67 ILE Chi-restraints excluded: chain FU residue 65 LYS Chi-restraints excluded: chain FV residue 10 THR Chi-restraints excluded: chain FV residue 59 SER Chi-restraints excluded: chain FV residue 66 ARG Chi-restraints excluded: chain FX residue 65 LYS Chi-restraints excluded: chain FY residue 67 ILE Chi-restraints excluded: chain FZ residue 59 SER Chi-restraints excluded: chain GA residue 30 LEU Chi-restraints excluded: chain GB residue 47 LYS Chi-restraints excluded: chain GB residue 65 LYS Chi-restraints excluded: chain GC residue 67 ILE Chi-restraints excluded: chain GD residue 35 GLU Chi-restraints excluded: chain GE residue 32 ASP Chi-restraints excluded: chain GF residue 3 GLU Chi-restraints excluded: chain GF residue 10 THR Chi-restraints excluded: chain GF residue 45 MET Chi-restraints excluded: chain GF residue 81 ASN Chi-restraints excluded: chain GG residue 30 GLU Chi-restraints excluded: chain GG residue 59 SER Chi-restraints excluded: chain GG residue 67 ILE Chi-restraints excluded: chain GH residue 67 ILE Chi-restraints excluded: chain GI residue 17 ASP Chi-restraints excluded: chain GI residue 25 LEU Chi-restraints excluded: chain GI residue 30 LEU Chi-restraints excluded: chain GI residue 57 LEU Chi-restraints excluded: chain GJ residue 47 LYS Chi-restraints excluded: chain GJ residue 50 VAL Chi-restraints excluded: chain GJ residue 81 ASN Chi-restraints excluded: chain GJ residue 82 ASP Chi-restraints excluded: chain GK residue 30 GLU Chi-restraints excluded: chain GK residue 45 MET Chi-restraints excluded: chain GL residue 35 GLU Chi-restraints excluded: chain GL residue 59 SER Chi-restraints excluded: chain GL residue 67 ILE Chi-restraints excluded: chain GM residue 27 ILE Chi-restraints excluded: chain GM residue 60 GLU Chi-restraints excluded: chain GN residue 10 THR Chi-restraints excluded: chain GN residue 47 LYS Chi-restraints excluded: chain GN residue 65 LYS Chi-restraints excluded: chain GN residue 81 ASN Chi-restraints excluded: chain GO residue 67 ILE Chi-restraints excluded: chain GP residue 59 SER Chi-restraints excluded: chain GQ residue 16 CYS Chi-restraints excluded: chain GQ residue 30 LEU Chi-restraints excluded: chain GQ residue 32 ASP Chi-restraints excluded: chain GQ residue 80 LYS Chi-restraints excluded: chain GR residue 18 GLU Chi-restraints excluded: chain GR residue 45 MET Chi-restraints excluded: chain GR residue 47 LYS Chi-restraints excluded: chain GR residue 81 ASN Chi-restraints excluded: chain GS residue 67 ILE Chi-restraints excluded: chain GT residue 59 SER Chi-restraints excluded: chain GU residue 39 ASP Chi-restraints excluded: chain GV residue 3 GLU Chi-restraints excluded: chain GV residue 45 MET Chi-restraints excluded: chain GV residue 47 LYS Chi-restraints excluded: chain GV residue 49 ASP Chi-restraints excluded: chain GW residue 30 GLU Chi-restraints excluded: chain GW residue 59 SER Chi-restraints excluded: chain GW residue 67 ILE Chi-restraints excluded: chain GX residue 59 SER Chi-restraints excluded: chain GX residue 67 ILE Chi-restraints excluded: chain GY residue 27 ILE Chi-restraints excluded: chain GY residue 60 GLU Chi-restraints excluded: chain GZ residue 47 LYS Chi-restraints excluded: chain GZ residue 65 LYS Chi-restraints excluded: chain HA residue 67 ILE Chi-restraints excluded: chain HB residue 59 SER Chi-restraints excluded: chain HC residue 17 ASP Chi-restraints excluded: chain HC residue 25 LEU Chi-restraints excluded: chain HC residue 27 ILE Chi-restraints excluded: chain HC residue 57 LEU Chi-restraints excluded: chain HD residue 50 VAL Chi-restraints excluded: chain HE residue 30 GLU Chi-restraints excluded: chain HE residue 45 MET Chi-restraints excluded: chain HF residue 59 SER Chi-restraints excluded: chain HG residue 47 ASN Chi-restraints excluded: chain HG residue 57 LEU Chi-restraints excluded: chain HG residue 79 GLU Chi-restraints excluded: chain HH residue 7 LEU Chi-restraints excluded: chain HH residue 67 ILE Chi-restraints excluded: chain HJ residue 10 THR Chi-restraints excluded: chain HJ residue 59 SER Chi-restraints excluded: chain HK residue 32 ASP Chi-restraints excluded: chain HK residue 39 ASP Chi-restraints excluded: chain HK residue 47 ASN Chi-restraints excluded: chain HL residue 3 GLU Chi-restraints excluded: chain HL residue 45 MET Chi-restraints excluded: chain HL residue 47 LYS Chi-restraints excluded: chain HL residue 81 ASN Chi-restraints excluded: chain HM residue 30 GLU Chi-restraints excluded: chain HM residue 59 SER Chi-restraints excluded: chain HM residue 67 ILE Chi-restraints excluded: chain HN residue 59 SER Chi-restraints excluded: chain HN residue 67 ILE Chi-restraints excluded: chain HN residue 73 SER Chi-restraints excluded: chain HO residue 27 ILE Chi-restraints excluded: chain HP residue 65 LYS Chi-restraints excluded: chain HP residue 67 ILE Chi-restraints excluded: chain HQ residue 50 VAL Chi-restraints excluded: chain HQ residue 67 ILE Chi-restraints excluded: chain HS residue 25 LEU Chi-restraints excluded: chain HS residue 57 LEU Chi-restraints excluded: chain HT residue 50 VAL Chi-restraints excluded: chain HU residue 30 GLU Chi-restraints excluded: chain HV residue 59 SER Chi-restraints excluded: chain HW residue 32 ASP Chi-restraints excluded: chain HW residue 39 ASP Chi-restraints excluded: chain HX residue 3 GLU Chi-restraints excluded: chain HX residue 45 MET Chi-restraints excluded: chain HX residue 65 LYS Chi-restraints excluded: chain HX residue 81 ASN Chi-restraints excluded: chain HY residue 59 SER Chi-restraints excluded: chain HY residue 67 ILE Chi-restraints excluded: chain HZ residue 3 GLU Chi-restraints excluded: chain HZ residue 59 SER Chi-restraints excluded: chain HZ residue 67 ILE Chi-restraints excluded: chain HZ residue 73 SER Chi-restraints excluded: chain IA residue 30 LEU Chi-restraints excluded: chain IA residue 32 ASP Chi-restraints excluded: chain IA residue 57 LEU Chi-restraints excluded: chain IA residue 79 GLU Chi-restraints excluded: chain IB residue 7 LEU Chi-restraints excluded: chain IB residue 47 LYS Chi-restraints excluded: chain IB residue 67 ILE Chi-restraints excluded: chain ID residue 10 THR Chi-restraints excluded: chain ID residue 59 SER Chi-restraints excluded: chain ID residue 66 ARG Chi-restraints excluded: chain IE residue 30 LEU Chi-restraints excluded: chain IE residue 32 ASP Chi-restraints excluded: chain IF residue 45 MET Chi-restraints excluded: chain IF residue 65 LYS Chi-restraints excluded: chain IG residue 67 ILE Chi-restraints excluded: chain IH residue 35 GLU Chi-restraints excluded: chain IH residue 66 ARG Chi-restraints excluded: chain II residue 17 ASP Chi-restraints excluded: chain II residue 25 LEU Chi-restraints excluded: chain II residue 30 LEU Chi-restraints excluded: chain II residue 57 LEU Chi-restraints excluded: chain IJ residue 50 VAL Chi-restraints excluded: chain IK residue 30 GLU Chi-restraints excluded: chain IL residue 35 GLU Chi-restraints excluded: chain IL residue 59 SER Chi-restraints excluded: chain IM residue 32 ASP Chi-restraints excluded: chain IM residue 39 ASP Chi-restraints excluded: chain IN residue 45 MET Chi-restraints excluded: chain IO residue 59 SER Chi-restraints excluded: chain IO residue 67 ILE Chi-restraints excluded: chain IP residue 67 ILE Chi-restraints excluded: chain IQ residue 25 LEU Chi-restraints excluded: chain IQ residue 32 ASP Chi-restraints excluded: chain IQ residue 57 LEU Chi-restraints excluded: chain IQ residue 79 GLU Chi-restraints excluded: chain IR residue 7 LEU Chi-restraints excluded: chain IR residue 67 ILE Chi-restraints excluded: chain IT residue 10 THR Chi-restraints excluded: chain IT residue 59 SER Chi-restraints excluded: chain IT residue 66 ARG Chi-restraints excluded: chain IU residue 17 ASP Chi-restraints excluded: chain IU residue 25 LEU Chi-restraints excluded: chain IU residue 47 ASN Chi-restraints excluded: chain IU residue 57 LEU Chi-restraints excluded: chain IV residue 50 VAL Chi-restraints excluded: chain IW residue 30 GLU Chi-restraints excluded: chain IX residue 35 GLU Chi-restraints excluded: chain IX residue 59 SER Chi-restraints excluded: chain IY residue 30 LEU Chi-restraints excluded: chain IY residue 32 ASP Chi-restraints excluded: chain IZ residue 45 MET Chi-restraints excluded: chain IZ residue 47 LYS Chi-restraints excluded: chain IZ residue 81 ASN Chi-restraints excluded: chain JA residue 67 ILE Chi-restraints excluded: chain JC residue 27 ILE Chi-restraints excluded: chain JC residue 60 GLU Chi-restraints excluded: chain JD residue 59 SER Chi-restraints excluded: chain JD residue 65 LYS Chi-restraints excluded: chain JD residue 81 ASN Chi-restraints excluded: chain JE residue 67 ILE Chi-restraints excluded: chain JE residue 73 SER Chi-restraints excluded: chain JF residue 59 SER 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: 7.9990 chunk 1113 optimal weight: 2.9990 chunk 865 optimal weight: 10.0000 chunk 1267 optimal weight: 9.9990 chunk 1912 optimal weight: 10.0000 chunk 1760 optimal weight: 10.0000 chunk 1523 optimal weight: 20.0000 chunk 158 optimal weight: 9.9990 chunk 1176 optimal weight: 10.0000 chunk 933 optimal weight: 7.9990 overall best weight: 7.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: BU 36 ASN DE 36 ASN DU 36 ASN EG 36 ASN GC 36 ASN GS 36 ASN JA 36 ASN Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8348 moved from start: 0.3826 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.008 0.056 142200 Z= 0.512 Angle : 0.678 16.049 191940 Z= 0.364 Chirality : 0.046 0.214 23940 Planarity : 0.003 0.045 24720 Dihedral : 5.113 28.251 20400 Min Nonbonded Distance : 2.044 Molprobity Statistics. All-atom Clashscore : 5.99 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.72 % Favored : 96.28 % Rotamer: Outliers : 3.71 % Allowed : 25.87 % Favored : 70.42 % 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: -0.35 (0.06), residues: 19140 helix: 1.15 (0.07), residues: 5820 sheet: 0.18 (0.07), residues: 6240 loop : -1.79 (0.06), residues: 7080 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.009 0.003 TRPEM 42 HIS 0.005 0.001 HISGN 80 PHE 0.006 0.001 PHECQ 62 TYR 0.014 0.002 TYRGX 34 ARG 0.008 0.001 ARGEP 78 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38280 Ramachandran restraints generated. 19140 Oldfield, 0 Emsley, 19140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5088 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 538 poor density : 4550 time to evaluate : 12.020 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AC 47 LYS cc_start: 0.8864 (ptmm) cc_final: 0.8556 (pttp) REVERT: AD 66 ARG cc_start: 0.7680 (OUTLIER) cc_final: 0.7284 (ptp90) REVERT: AH 54 ASN cc_start: 0.8405 (t0) cc_final: 0.8092 (m-40) REVERT: AJ 11 LYS cc_start: 0.8234 (tptp) cc_final: 0.7961 (tptp) REVERT: AK 82 ASP cc_start: 0.7070 (m-30) cc_final: 0.6858 (m-30) REVERT: AO 47 LYS cc_start: 0.8820 (ptmm) cc_final: 0.8497 (pttp) REVERT: AP 9 GLU cc_start: 0.8236 (tt0) cc_final: 0.7959 (tt0) REVERT: AP 66 ARG cc_start: 0.7719 (OUTLIER) cc_final: 0.7357 (ttm170) REVERT: AQ 60 GLU cc_start: 0.7273 (mm-30) cc_final: 0.6952 (mp0) REVERT: AR 34 TYR cc_start: 0.8757 (m-80) cc_final: 0.8542 (m-80) REVERT: AW 65 LYS cc_start: 0.8704 (ttmm) cc_final: 0.8402 (ttpp) REVERT: AZ 47 LYS cc_start: 0.8362 (OUTLIER) cc_final: 0.8115 (ptmm) REVERT: BF 66 ARG cc_start: 0.7713 (OUTLIER) cc_final: 0.7192 (ptp90) REVERT: BG 60 GLU cc_start: 0.7173 (mm-30) cc_final: 0.6823 (mp0) REVERT: BJ 47 LYS cc_start: 0.8800 (ttpt) cc_final: 0.8488 (ttmt) REVERT: BM 34 TYR cc_start: 0.7937 (m-10) cc_final: 0.7640 (m-80) REVERT: BN 47 LYS cc_start: 0.8854 (ttpt) cc_final: 0.8482 (tttp) REVERT: BQ 65 LYS cc_start: 0.8685 (ttmm) cc_final: 0.8463 (ttpp) REVERT: BR 78 ARG cc_start: 0.8494 (OUTLIER) cc_final: 0.7733 (mtp85) REVERT: BW 60 GLU cc_start: 0.7292 (mm-30) cc_final: 0.6981 (mp0) REVERT: BZ 47 LYS cc_start: 0.8736 (ttpt) cc_final: 0.8426 (ttmm) REVERT: BZ 86 ILE cc_start: 0.8469 (mm) cc_final: 0.7748 (mt) REVERT: CI 60 GLU cc_start: 0.7223 (mm-30) cc_final: 0.6884 (mp0) REVERT: CL 65 LYS cc_start: 0.8705 (ttmm) cc_final: 0.8450 (ttmm) REVERT: CP 78 ARG cc_start: 0.8278 (OUTLIER) cc_final: 0.8017 (ptp-110) REVERT: CQ 38 LYS cc_start: 0.8455 (ttpp) cc_final: 0.8198 (tttm) REVERT: CS 47 LYS cc_start: 0.8587 (pttm) cc_final: 0.8289 (pttm) REVERT: CT 66 ARG cc_start: 0.7734 (OUTLIER) cc_final: 0.7482 (ptm160) REVERT: CW 65 LYS cc_start: 0.8672 (ttmm) cc_final: 0.8456 (ttpp) REVERT: CY 60 GLU cc_start: 0.7218 (mm-30) cc_final: 0.6899 (mp0) REVERT: CZ 11 LYS cc_start: 0.8425 (tptp) cc_final: 0.7928 (tptp) REVERT: CZ 66 ARG cc_start: 0.8224 (ttm110) cc_final: 0.7593 (mtm180) REVERT: DH 83 ILE cc_start: 0.7148 (OUTLIER) cc_final: 0.6848 (mp) REVERT: DM 3 GLU cc_start: 0.7650 (OUTLIER) cc_final: 0.7251 (mt-10) REVERT: DM 47 LYS cc_start: 0.8867 (ptmm) cc_final: 0.8572 (pttp) REVERT: DP 11 LYS cc_start: 0.8216 (tptp) cc_final: 0.7983 (tptp) REVERT: DP 47 LYS cc_start: 0.8390 (OUTLIER) cc_final: 0.8131 (ptmm) REVERT: DV 66 ARG cc_start: 0.7817 (ttm170) cc_final: 0.7461 (ttp-170) REVERT: ED 66 ARG cc_start: 0.7390 (ttp-170) cc_final: 0.6933 (ptp90) REVERT: EF 66 ARG cc_start: 0.8109 (ttm-80) cc_final: 0.7746 (mtm-85) REVERT: EH 78 ARG cc_start: 0.8347 (ptp-110) cc_final: 0.8121 (ptp-110) REVERT: EJ 66 ARG cc_start: 0.8424 (ttp-110) cc_final: 0.8085 (ttm-80) REVERT: EK 69 LYS cc_start: 0.8781 (ttpt) cc_final: 0.8458 (ttpp) REVERT: EK 82 ASP cc_start: 0.7202 (m-30) cc_final: 0.6960 (m-30) REVERT: EN 66 ARG cc_start: 0.8186 (ttm110) cc_final: 0.7667 (mtm180) REVERT: EQ 38 LYS cc_start: 0.8449 (ttpp) cc_final: 0.8211 (tttm) REVERT: ER 3 GLU cc_start: 0.7872 (tp30) cc_final: 0.7665 (tp30) REVERT: ES 47 LYS cc_start: 0.8853 (ptmm) cc_final: 0.8552 (pttp) REVERT: ET 66 ARG cc_start: 0.7708 (OUTLIER) cc_final: 0.7317 (ptp90) REVERT: EU 60 GLU cc_start: 0.7687 (tp30) cc_final: 0.7426 (tp30) REVERT: EY 25 LEU cc_start: 0.9447 (OUTLIER) cc_final: 0.9085 (mt) REVERT: FB 78 ARG cc_start: 0.8368 (OUTLIER) cc_final: 0.8153 (ptp-110) REVERT: FF 9 GLU cc_start: 0.8250 (tt0) cc_final: 0.7984 (tt0) REVERT: FF 66 ARG cc_start: 0.7733 (OUTLIER) cc_final: 0.7328 (ptp90) REVERT: FH 83 ILE cc_start: 0.7145 (OUTLIER) cc_final: 0.6852 (mp) REVERT: FK 60 GLU cc_start: 0.7298 (mm-30) cc_final: 0.6968 (mp0) REVERT: FN 47 LYS cc_start: 0.8756 (ttpt) cc_final: 0.8418 (ttmm) REVERT: FU 47 LYS cc_start: 0.8876 (ptmm) cc_final: 0.8588 (pttp) REVERT: FV 9 GLU cc_start: 0.8247 (tt0) cc_final: 0.7976 (tt0) REVERT: FV 66 ARG cc_start: 0.7729 (OUTLIER) cc_final: 0.7336 (ptp90) REVERT: FV 82 ASP cc_start: 0.8244 (m-30) cc_final: 0.7992 (m-30) REVERT: FY 65 LYS cc_start: 0.8685 (ttmm) cc_final: 0.8460 (ttpp) REVERT: GB 66 ARG cc_start: 0.8105 (ttm-80) cc_final: 0.7684 (mtm-85) REVERT: GD 78 ARG cc_start: 0.8454 (ptp-110) cc_final: 0.8197 (ptp-110) REVERT: GE 60 GLU cc_start: 0.7242 (mm-30) cc_final: 0.6906 (mp0) REVERT: GH 47 LYS cc_start: 0.8788 (ttpt) cc_final: 0.8414 (ttmm) REVERT: GI 30 LEU cc_start: 0.9248 (OUTLIER) cc_final: 0.8952 (pp) REVERT: GK 82 ASP cc_start: 0.7059 (m-30) cc_final: 0.6818 (m-30) REVERT: GO 82 ASP cc_start: 0.7496 (m-30) cc_final: 0.7204 (m-30) REVERT: GQ 80 LYS cc_start: 0.8748 (OUTLIER) cc_final: 0.8082 (mtmt) REVERT: GU 60 GLU cc_start: 0.7228 (mm-30) cc_final: 0.6908 (mp0) REVERT: GV 66 ARG cc_start: 0.8054 (ttm110) cc_final: 0.7579 (mtm180) REVERT: GX 47 LYS cc_start: 0.8726 (ttpt) cc_final: 0.8430 (ttmm) REVERT: HF 78 ARG cc_start: 0.8393 (ptp-110) cc_final: 0.7809 (ptp-110) REVERT: HI 3 GLU cc_start: 0.7661 (OUTLIER) cc_final: 0.7259 (mt-10) REVERT: HN 66 ARG cc_start: 0.7851 (ttm110) cc_final: 0.7592 (ttp-170) REVERT: HO 79 GLU cc_start: 0.8028 (mt-10) cc_final: 0.7731 (mt-10) REVERT: HT 11 LYS cc_start: 0.8245 (tptp) cc_final: 0.8002 (tptp) REVERT: HU 69 LYS cc_start: 0.8755 (ttpt) cc_final: 0.8439 (ttpp) REVERT: HU 82 ASP cc_start: 0.7016 (m-30) cc_final: 0.6792 (m-30) REVERT: HW 60 GLU cc_start: 0.7292 (mm-30) cc_final: 0.6951 (mp0) REVERT: HX 66 ARG cc_start: 0.7976 (mtm-85) cc_final: 0.7723 (mtt180) REVERT: HZ 47 LYS cc_start: 0.8804 (ttpt) cc_final: 0.8442 (ttmm) REVERT: IC 47 LYS cc_start: 0.8868 (ptmm) cc_final: 0.8576 (pttp) REVERT: ID 66 ARG cc_start: 0.7694 (OUTLIER) cc_final: 0.7309 (ptp90) REVERT: IF 30 GLU cc_start: 0.7512 (OUTLIER) cc_final: 0.7303 (pp20) REVERT: IH 66 ARG cc_start: 0.7776 (OUTLIER) cc_final: 0.7417 (ptm160) REVERT: II 30 LEU cc_start: 0.9254 (OUTLIER) cc_final: 0.8956 (pp) REVERT: IK 34 TYR cc_start: 0.7912 (m-10) cc_final: 0.7653 (m-80) REVERT: IM 60 GLU cc_start: 0.7215 (mm-30) cc_final: 0.6956 (mp0) REVERT: IP 47 LYS cc_start: 0.8742 (ttpt) cc_final: 0.8431 (ttmm) REVERT: IS 47 LYS cc_start: 0.8878 (ptmm) cc_final: 0.8574 (pttp) REVERT: IT 9 GLU cc_start: 0.8309 (tt0) cc_final: 0.8028 (tt0) REVERT: IT 66 ARG cc_start: 0.7706 (OUTLIER) cc_final: 0.7283 (ptp90) REVERT: IU 60 GLU cc_start: 0.7711 (tp30) cc_final: 0.7451 (tp30) REVERT: IV 47 LYS cc_start: 0.8356 (OUTLIER) cc_final: 0.8132 (ptmm) REVERT: IW 82 ASP cc_start: 0.7203 (m-30) cc_final: 0.6962 (m-30) REVERT: IZ 66 ARG cc_start: 0.8128 (ttm-80) cc_final: 0.7675 (mtm-85) REVERT: JD 67 ILE cc_start: 0.8870 (pt) cc_final: 0.8635 (pt) outliers start: 538 outliers final: 456 residues processed: 4772 average time/residue: 1.3626 time to fit residues: 11013.2022 Evaluate side-chains 5000 residues out of total 14760 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 481 poor density : 4519 time to evaluate : 11.984 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AA residue 57 LEU Chi-restraints excluded: chain AC residue 10 THR Chi-restraints excluded: chain AD residue 10 THR Chi-restraints excluded: chain AD residue 59 SER Chi-restraints excluded: chain AD residue 66 ARG Chi-restraints excluded: chain AD residue 67 ILE Chi-restraints excluded: chain AE residue 30 LEU Chi-restraints excluded: chain AE residue 32 ASP Chi-restraints excluded: chain AF residue 45 MET Chi-restraints excluded: chain AF residue 47 LYS Chi-restraints excluded: chain AF residue 81 ASN Chi-restraints excluded: chain AG residue 67 ILE Chi-restraints excluded: chain AI residue 17 ASP Chi-restraints excluded: chain AI residue 25 LEU Chi-restraints excluded: chain AI residue 27 ILE Chi-restraints excluded: chain AI residue 47 ASN Chi-restraints excluded: chain AI residue 57 LEU Chi-restraints excluded: chain AJ residue 50 VAL Chi-restraints excluded: chain AJ residue 81 ASN Chi-restraints excluded: chain AJ residue 82 ASP Chi-restraints excluded: chain AK residue 30 GLU Chi-restraints excluded: chain AL residue 35 GLU Chi-restraints excluded: chain AL residue 59 SER Chi-restraints excluded: chain AL residue 67 ILE Chi-restraints excluded: chain AM residue 30 LEU Chi-restraints excluded: chain AM residue 57 LEU Chi-restraints excluded: chain AM residue 79 GLU Chi-restraints excluded: chain AP residue 10 THR Chi-restraints excluded: chain AP residue 59 SER Chi-restraints excluded: chain AP residue 66 ARG Chi-restraints excluded: chain AQ residue 32 ASP Chi-restraints excluded: chain AQ residue 39 ASP Chi-restraints excluded: chain AR residue 3 GLU Chi-restraints excluded: chain AR residue 10 THR Chi-restraints excluded: chain AR residue 45 MET Chi-restraints excluded: chain AR residue 81 ASN Chi-restraints excluded: chain AR residue 82 ASP Chi-restraints excluded: chain AS residue 59 SER Chi-restraints excluded: chain AS residue 67 ILE Chi-restraints excluded: chain AT residue 59 SER Chi-restraints excluded: chain AT residue 73 SER Chi-restraints excluded: chain AU residue 27 ILE Chi-restraints excluded: chain AV residue 59 SER Chi-restraints excluded: chain AV residue 61 VAL Chi-restraints excluded: chain AV residue 65 LYS Chi-restraints excluded: chain AW residue 67 ILE Chi-restraints excluded: chain AX residue 59 SER Chi-restraints excluded: chain AY residue 17 ASP Chi-restraints excluded: chain AY residue 25 LEU Chi-restraints excluded: chain AY residue 27 ILE Chi-restraints excluded: chain AY residue 47 ASN Chi-restraints excluded: chain AY residue 57 LEU Chi-restraints excluded: chain AZ residue 47 LYS Chi-restraints excluded: chain AZ residue 50 VAL Chi-restraints excluded: chain BA residue 30 GLU Chi-restraints excluded: chain BA residue 47 LYS Chi-restraints excluded: chain BB residue 35 GLU Chi-restraints excluded: chain BB residue 59 SER Chi-restraints excluded: chain BC residue 7 THR Chi-restraints excluded: chain BC residue 30 LEU Chi-restraints excluded: chain BC residue 32 ASP Chi-restraints excluded: chain BC residue 57 LEU Chi-restraints excluded: chain BF residue 10 THR Chi-restraints excluded: chain BF residue 59 SER Chi-restraints excluded: chain BF residue 66 ARG Chi-restraints excluded: chain BG residue 32 ASP Chi-restraints excluded: chain BG residue 47 ASN Chi-restraints excluded: chain BH residue 3 GLU Chi-restraints excluded: chain BH residue 10 THR Chi-restraints excluded: chain BH residue 59 SER Chi-restraints excluded: chain BH residue 65 LYS Chi-restraints excluded: chain BH residue 81 ASN Chi-restraints excluded: chain BH residue 82 ASP Chi-restraints excluded: chain BI residue 30 GLU Chi-restraints excluded: chain BI residue 67 ILE Chi-restraints excluded: chain BJ residue 59 SER Chi-restraints excluded: chain BK residue 17 ASP Chi-restraints excluded: chain BK residue 25 LEU Chi-restraints excluded: chain BK residue 27 ILE Chi-restraints excluded: chain BK residue 57 LEU Chi-restraints excluded: chain BL residue 50 VAL Chi-restraints excluded: chain BM residue 30 GLU Chi-restraints excluded: chain BM residue 45 MET Chi-restraints excluded: chain BN residue 35 GLU Chi-restraints excluded: chain BN residue 59 SER Chi-restraints excluded: chain BN residue 67 ILE Chi-restraints excluded: chain BO residue 60 GLU Chi-restraints excluded: chain BQ residue 67 ILE Chi-restraints excluded: chain BR residue 59 SER Chi-restraints excluded: chain BR residue 78 ARG Chi-restraints excluded: chain BS residue 30 LEU Chi-restraints excluded: chain BT residue 45 MET Chi-restraints excluded: chain BT residue 47 LYS Chi-restraints excluded: chain BU residue 67 ILE Chi-restraints excluded: chain BV residue 59 SER Chi-restraints excluded: chain BW residue 32 ASP Chi-restraints excluded: chain BW residue 47 ASN Chi-restraints excluded: chain BX residue 3 GLU Chi-restraints excluded: chain BX residue 45 MET Chi-restraints excluded: chain BX residue 59 SER Chi-restraints excluded: chain BY residue 30 GLU Chi-restraints excluded: chain BY residue 47 LYS Chi-restraints excluded: chain BY residue 59 SER Chi-restraints excluded: chain BY residue 67 ILE Chi-restraints excluded: chain BZ residue 59 SER Chi-restraints excluded: chain BZ residue 67 ILE Chi-restraints excluded: chain CA residue 17 ASP Chi-restraints excluded: chain CA residue 25 LEU Chi-restraints excluded: chain CA residue 27 ILE Chi-restraints excluded: chain CA residue 47 ASN Chi-restraints excluded: chain CA residue 57 LEU Chi-restraints excluded: chain CB residue 50 VAL Chi-restraints excluded: chain CB residue 81 ASN Chi-restraints excluded: chain CB residue 82 ASP Chi-restraints excluded: chain CC residue 30 GLU Chi-restraints excluded: chain CD residue 35 GLU Chi-restraints excluded: chain CD residue 59 SER Chi-restraints excluded: chain CF residue 65 LYS Chi-restraints excluded: chain CG residue 67 ILE Chi-restraints excluded: chain CH residue 59 SER Chi-restraints excluded: chain CH residue 78 ARG Chi-restraints excluded: chain CI residue 32 ASP Chi-restraints excluded: chain CJ residue 3 GLU Chi-restraints excluded: chain CJ residue 45 MET Chi-restraints excluded: chain CJ residue 59 SER Chi-restraints excluded: chain CJ residue 81 ASN Chi-restraints excluded: chain CK residue 7 LEU Chi-restraints excluded: chain CK residue 59 SER Chi-restraints excluded: chain CK residue 67 ILE Chi-restraints excluded: chain CL residue 73 SER Chi-restraints excluded: chain CM residue 30 LEU Chi-restraints excluded: chain CM residue 32 ASP Chi-restraints excluded: chain CN residue 45 MET Chi-restraints excluded: chain CN residue 47 LYS Chi-restraints excluded: chain CO residue 67 ILE Chi-restraints excluded: chain CP residue 78 ARG Chi-restraints excluded: chain CQ residue 25 LEU Chi-restraints excluded: chain CQ residue 32 ASP Chi-restraints excluded: chain CQ residue 57 LEU Chi-restraints excluded: chain CT residue 10 THR Chi-restraints excluded: chain CT residue 59 SER Chi-restraints excluded: chain CT residue 66 ARG Chi-restraints excluded: chain CT residue 67 ILE Chi-restraints excluded: chain CU residue 60 GLU Chi-restraints excluded: chain CV residue 47 LYS Chi-restraints excluded: chain CW residue 67 ILE Chi-restraints excluded: chain CX residue 59 SER Chi-restraints excluded: chain CY residue 39 ASP Chi-restraints excluded: chain CY residue 47 ASN Chi-restraints excluded: chain CY residue 52 MET Chi-restraints excluded: chain CZ residue 3 GLU Chi-restraints excluded: chain CZ residue 10 THR Chi-restraints excluded: chain CZ residue 45 MET Chi-restraints excluded: chain CZ residue 59 SER Chi-restraints excluded: chain DA residue 30 GLU Chi-restraints excluded: chain DA residue 59 SER Chi-restraints excluded: chain DA residue 67 ILE Chi-restraints excluded: chain DB residue 47 LYS Chi-restraints excluded: chain DB residue 59 SER Chi-restraints excluded: chain DB residue 67 ILE Chi-restraints excluded: chain DB residue 73 SER Chi-restraints excluded: chain DC residue 30 LEU Chi-restraints excluded: chain DC residue 32 ASP Chi-restraints excluded: chain DD residue 45 MET Chi-restraints excluded: chain DD residue 47 LYS Chi-restraints excluded: chain DD residue 67 ILE Chi-restraints excluded: chain DD residue 81 ASN Chi-restraints excluded: chain DE residue 67 ILE Chi-restraints excluded: chain DF residue 59 SER Chi-restraints excluded: chain DG residue 60 GLU Chi-restraints excluded: chain DH residue 65 LYS Chi-restraints excluded: chain DH residue 81 ASN Chi-restraints excluded: chain DH residue 83 ILE Chi-restraints excluded: chain DI residue 50 VAL Chi-restraints excluded: chain DI residue 67 ILE Chi-restraints excluded: chain DK residue 32 ASP Chi-restraints excluded: chain DK residue 57 LEU Chi-restraints excluded: chain DL residue 47 LYS Chi-restraints excluded: chain DL residue 67 ILE Chi-restraints excluded: chain DL residue 82 ASP Chi-restraints excluded: chain DM residue 3 GLU Chi-restraints excluded: chain DN residue 10 THR Chi-restraints excluded: chain DN residue 59 SER Chi-restraints excluded: chain DO residue 17 ASP Chi-restraints excluded: chain DO residue 25 LEU Chi-restraints excluded: chain DO residue 27 ILE Chi-restraints excluded: chain DO residue 47 ASN Chi-restraints excluded: chain DO residue 57 LEU Chi-restraints excluded: chain DP residue 47 LYS Chi-restraints excluded: chain DP residue 50 VAL Chi-restraints excluded: chain DQ residue 30 GLU Chi-restraints excluded: chain DQ residue 42 VAL Chi-restraints excluded: chain DR residue 59 SER Chi-restraints excluded: chain DS residue 30 LEU Chi-restraints excluded: chain DT residue 45 MET Chi-restraints excluded: chain DT residue 47 LYS Chi-restraints excluded: chain DU residue 67 ILE Chi-restraints excluded: chain DV residue 59 SER Chi-restraints excluded: chain DW residue 27 ILE Chi-restraints excluded: chain DX residue 10 THR Chi-restraints excluded: chain DX residue 65 LYS Chi-restraints excluded: chain DY residue 67 ILE Chi-restraints excluded: chain DZ residue 59 SER Chi-restraints excluded: chain EA residue 57 LEU Chi-restraints excluded: chain EA residue 79 GLU Chi-restraints excluded: chain ED residue 10 THR Chi-restraints excluded: chain ED residue 59 SER Chi-restraints excluded: chain EE residue 30 LEU Chi-restraints excluded: chain EF residue 18 GLU Chi-restraints excluded: chain EF residue 45 MET Chi-restraints excluded: chain EF residue 47 LYS Chi-restraints excluded: chain EF residue 81 ASN Chi-restraints excluded: chain EG residue 67 ILE Chi-restraints excluded: chain EH residue 35 GLU Chi-restraints excluded: chain EI residue 17 ASP Chi-restraints excluded: chain EI residue 25 LEU Chi-restraints excluded: chain EI residue 27 ILE Chi-restraints excluded: chain EI residue 57 LEU Chi-restraints excluded: chain EJ residue 50 VAL Chi-restraints excluded: chain EJ residue 81 ASN Chi-restraints excluded: chain EJ residue 82 ASP Chi-restraints excluded: chain EK residue 30 GLU Chi-restraints excluded: chain EL residue 35 GLU Chi-restraints excluded: chain EL residue 59 SER Chi-restraints excluded: chain EL residue 67 ILE Chi-restraints excluded: chain EM residue 32 ASP Chi-restraints excluded: chain EN residue 3 GLU Chi-restraints excluded: chain EN residue 45 MET Chi-restraints excluded: chain EN residue 69 LYS Chi-restraints excluded: chain EO residue 59 SER Chi-restraints excluded: chain EO residue 67 ILE Chi-restraints excluded: chain EP residue 3 GLU Chi-restraints excluded: chain EP residue 59 SER Chi-restraints excluded: chain EP residue 67 ILE Chi-restraints excluded: chain EQ residue 25 LEU Chi-restraints excluded: chain EQ residue 57 LEU Chi-restraints excluded: chain ER residue 67 ILE Chi-restraints excluded: chain ET residue 10 THR Chi-restraints excluded: chain ET residue 59 SER Chi-restraints excluded: chain ET residue 66 ARG Chi-restraints excluded: chain EU residue 17 ASP Chi-restraints excluded: chain EU residue 25 LEU Chi-restraints excluded: chain EU residue 27 ILE Chi-restraints excluded: chain EU residue 57 LEU Chi-restraints excluded: chain EV residue 47 LYS Chi-restraints excluded: chain EV residue 50 VAL Chi-restraints excluded: chain EW residue 30 GLU Chi-restraints excluded: chain EW residue 42 VAL Chi-restraints excluded: chain EX residue 59 SER Chi-restraints excluded: chain EX residue 67 ILE Chi-restraints excluded: chain EY residue 25 LEU Chi-restraints excluded: chain EY residue 30 LEU Chi-restraints excluded: chain EY residue 32 ASP Chi-restraints excluded: chain EZ residue 45 MET Chi-restraints excluded: chain EZ residue 47 LYS Chi-restraints excluded: chain FB residue 59 SER Chi-restraints excluded: chain FB residue 78 ARG Chi-restraints excluded: chain FC residue 57 LEU Chi-restraints excluded: chain FC residue 79 GLU Chi-restraints excluded: chain FD residue 49 ASP Chi-restraints excluded: chain FD residue 67 ILE Chi-restraints excluded: chain FF residue 10 THR Chi-restraints excluded: chain FF residue 59 SER Chi-restraints excluded: chain FF residue 66 ARG Chi-restraints excluded: chain FG residue 16 CYS Chi-restraints excluded: chain FG residue 17 ASP Chi-restraints excluded: chain FH residue 65 LYS Chi-restraints excluded: chain FH residue 81 ASN Chi-restraints excluded: chain FH residue 83 ILE Chi-restraints excluded: chain FI residue 50 VAL Chi-restraints excluded: chain FI residue 67 ILE Chi-restraints excluded: chain FJ residue 78 ARG Chi-restraints excluded: chain FL residue 3 GLU Chi-restraints excluded: chain FL residue 39 SER Chi-restraints excluded: chain FL residue 45 MET Chi-restraints excluded: chain FL residue 50 VAL Chi-restraints excluded: chain FL residue 81 ASN Chi-restraints excluded: chain FL residue 82 ASP Chi-restraints excluded: chain FM residue 30 GLU Chi-restraints excluded: chain FM residue 67 ILE Chi-restraints excluded: chain FN residue 3 GLU Chi-restraints excluded: chain FN residue 59 SER Chi-restraints excluded: chain FN residue 67 ILE Chi-restraints excluded: chain FN residue 73 SER Chi-restraints excluded: chain FN residue 85 LYS Chi-restraints excluded: chain FO residue 30 LEU Chi-restraints excluded: chain FP residue 45 MET Chi-restraints excluded: chain FP residue 47 LYS Chi-restraints excluded: chain FQ residue 67 ILE Chi-restraints excluded: chain FR residue 35 GLU Chi-restraints excluded: chain FS residue 57 LEU Chi-restraints excluded: chain FS residue 79 GLU Chi-restraints excluded: chain FT residue 67 ILE Chi-restraints excluded: chain FV residue 10 THR Chi-restraints excluded: chain FV residue 59 SER Chi-restraints excluded: chain FV residue 66 ARG Chi-restraints excluded: chain FX residue 42 VAL Chi-restraints excluded: chain FX residue 61 VAL Chi-restraints excluded: chain FX residue 65 LYS Chi-restraints excluded: chain FY residue 67 ILE Chi-restraints excluded: chain FZ residue 59 SER Chi-restraints excluded: chain GA residue 30 LEU Chi-restraints excluded: chain GB residue 45 MET Chi-restraints excluded: chain GB residue 47 LYS Chi-restraints excluded: chain GB residue 65 LYS Chi-restraints excluded: chain GC residue 67 ILE Chi-restraints excluded: chain GE residue 32 ASP Chi-restraints excluded: chain GF residue 3 GLU Chi-restraints excluded: chain GF residue 10 THR Chi-restraints excluded: chain GF residue 39 SER Chi-restraints excluded: chain GF residue 45 MET Chi-restraints excluded: chain GF residue 81 ASN Chi-restraints excluded: chain GG residue 30 GLU Chi-restraints excluded: chain GG residue 59 SER Chi-restraints excluded: chain GG residue 67 ILE Chi-restraints excluded: chain GH residue 67 ILE Chi-restraints excluded: chain GI residue 17 ASP Chi-restraints excluded: chain GI residue 25 LEU Chi-restraints excluded: chain GI residue 30 LEU Chi-restraints excluded: chain GI residue 57 LEU Chi-restraints excluded: chain GJ residue 47 LYS Chi-restraints excluded: chain GJ residue 50 VAL Chi-restraints excluded: chain GJ residue 82 ASP Chi-restraints excluded: chain GK residue 30 GLU Chi-restraints excluded: chain GK residue 42 VAL Chi-restraints excluded: chain GK residue 45 MET Chi-restraints excluded: chain GL residue 35 GLU Chi-restraints excluded: chain GL residue 59 SER Chi-restraints excluded: chain GL residue 67 ILE Chi-restraints excluded: chain GM residue 60 GLU Chi-restraints excluded: chain GN residue 10 THR Chi-restraints excluded: chain GN residue 47 LYS Chi-restraints excluded: chain GN residue 65 LYS Chi-restraints excluded: chain GN residue 81 ASN Chi-restraints excluded: chain GO residue 67 ILE Chi-restraints excluded: chain GP residue 59 SER Chi-restraints excluded: chain GQ residue 16 CYS Chi-restraints excluded: chain GQ residue 30 LEU Chi-restraints excluded: chain GQ residue 32 ASP Chi-restraints excluded: chain GQ residue 80 LYS Chi-restraints excluded: chain GR residue 18 GLU Chi-restraints excluded: chain GR residue 45 MET Chi-restraints excluded: chain GR residue 47 LYS Chi-restraints excluded: chain GR residue 81 ASN Chi-restraints excluded: chain GS residue 67 ILE Chi-restraints excluded: chain GT residue 59 SER Chi-restraints excluded: chain GU residue 32 ASP Chi-restraints excluded: chain GU residue 39 ASP Chi-restraints excluded: chain GV residue 3 GLU Chi-restraints excluded: chain GV residue 45 MET Chi-restraints excluded: chain GV residue 47 LYS Chi-restraints excluded: chain GV residue 80 HIS Chi-restraints excluded: chain GV residue 82 ASP Chi-restraints excluded: chain GW residue 30 GLU Chi-restraints excluded: chain GW residue 59 SER Chi-restraints excluded: chain GW residue 67 ILE Chi-restraints excluded: chain GX residue 59 SER Chi-restraints excluded: chain GX residue 67 ILE Chi-restraints excluded: chain GY residue 27 ILE Chi-restraints excluded: chain GY residue 60 GLU Chi-restraints excluded: chain GZ residue 47 LYS Chi-restraints excluded: chain GZ residue 65 LYS Chi-restraints excluded: chain HA residue 67 ILE Chi-restraints excluded: chain HB residue 59 SER Chi-restraints excluded: chain HC residue 17 ASP Chi-restraints excluded: chain HC residue 25 LEU Chi-restraints excluded: chain HC residue 27 ILE Chi-restraints excluded: chain HC residue 57 LEU Chi-restraints excluded: chain HD residue 50 VAL Chi-restraints excluded: chain HE residue 30 GLU Chi-restraints excluded: chain HE residue 42 VAL Chi-restraints excluded: chain HE residue 45 MET Chi-restraints excluded: chain HE residue 47 LYS Chi-restraints excluded: chain HF residue 59 SER Chi-restraints excluded: chain HG residue 57 LEU Chi-restraints excluded: chain HH residue 49 ASP Chi-restraints excluded: chain HH residue 67 ILE Chi-restraints excluded: chain HI residue 3 GLU Chi-restraints excluded: chain HJ residue 10 THR Chi-restraints excluded: chain HJ residue 59 SER Chi-restraints excluded: chain HK residue 32 ASP Chi-restraints excluded: chain HK residue 47 ASN Chi-restraints excluded: chain HL residue 3 GLU Chi-restraints excluded: chain HL residue 45 MET Chi-restraints excluded: chain HL residue 47 LYS Chi-restraints excluded: chain HL residue 81 ASN Chi-restraints excluded: chain HM residue 30 GLU Chi-restraints excluded: chain HM residue 59 SER Chi-restraints excluded: chain HM residue 67 ILE Chi-restraints excluded: chain HN residue 59 SER Chi-restraints excluded: chain HN residue 67 ILE Chi-restraints excluded: chain HN residue 73 SER Chi-restraints excluded: chain HO residue 27 ILE Chi-restraints excluded: chain HP residue 42 VAL Chi-restraints excluded: chain HP residue 65 LYS Chi-restraints excluded: chain HP residue 67 ILE Chi-restraints excluded: chain HQ residue 34 TYR Chi-restraints excluded: chain HQ residue 50 VAL Chi-restraints excluded: chain HQ residue 67 ILE Chi-restraints excluded: chain HS residue 25 LEU Chi-restraints excluded: chain HS residue 27 ILE Chi-restraints excluded: chain HS residue 57 LEU Chi-restraints excluded: chain HT residue 50 VAL Chi-restraints excluded: chain HU residue 30 GLU Chi-restraints excluded: chain HV residue 59 SER Chi-restraints excluded: chain HV residue 86 ILE Chi-restraints excluded: chain HW residue 32 ASP Chi-restraints excluded: chain HW residue 39 ASP Chi-restraints excluded: chain HX residue 3 GLU Chi-restraints excluded: chain HX residue 45 MET Chi-restraints excluded: chain HX residue 65 LYS Chi-restraints excluded: chain HX residue 81 ASN Chi-restraints excluded: chain HX residue 82 ASP Chi-restraints excluded: chain HY residue 59 SER Chi-restraints excluded: chain HY residue 67 ILE Chi-restraints excluded: chain HZ residue 3 GLU Chi-restraints excluded: chain HZ residue 59 SER Chi-restraints excluded: chain HZ residue 67 ILE Chi-restraints excluded: chain HZ residue 73 SER Chi-restraints excluded: chain IA residue 30 LEU Chi-restraints excluded: chain IA residue 32 ASP Chi-restraints excluded: chain IA residue 57 LEU Chi-restraints excluded: chain IA residue 79 GLU Chi-restraints excluded: chain IB residue 47 LYS Chi-restraints excluded: chain IB residue 67 ILE Chi-restraints excluded: chain ID residue 10 THR Chi-restraints excluded: chain ID residue 59 SER Chi-restraints excluded: chain ID residue 66 ARG Chi-restraints excluded: chain ID residue 67 ILE Chi-restraints excluded: chain IE residue 30 LEU Chi-restraints excluded: chain IF residue 30 GLU Chi-restraints excluded: chain IF residue 45 MET Chi-restraints excluded: chain IF residue 65 LYS Chi-restraints excluded: chain IG residue 67 ILE Chi-restraints excluded: chain IH residue 66 ARG Chi-restraints excluded: chain II residue 17 ASP Chi-restraints excluded: chain II residue 25 LEU Chi-restraints excluded: chain II residue 30 LEU Chi-restraints excluded: chain II residue 57 LEU Chi-restraints excluded: chain IJ residue 50 VAL Chi-restraints excluded: chain IK residue 30 GLU Chi-restraints excluded: chain IL residue 35 GLU Chi-restraints excluded: chain IL residue 59 SER Chi-restraints excluded: chain IM residue 32 ASP Chi-restraints excluded: chain IM residue 39 ASP Chi-restraints excluded: chain IN residue 3 GLU Chi-restraints excluded: chain IN residue 39 SER Chi-restraints excluded: chain IN residue 45 MET Chi-restraints excluded: chain IO residue 59 SER Chi-restraints excluded: chain IO residue 67 ILE Chi-restraints excluded: chain IP residue 67 ILE Chi-restraints excluded: chain IQ residue 25 LEU Chi-restraints excluded: chain IQ residue 32 ASP Chi-restraints excluded: chain IQ residue 57 LEU Chi-restraints excluded: chain IQ residue 79 GLU Chi-restraints excluded: chain IR residue 67 ILE Chi-restraints excluded: chain IT residue 10 THR Chi-restraints excluded: chain IT residue 59 SER Chi-restraints excluded: chain IT residue 66 ARG Chi-restraints excluded: chain IU residue 17 ASP Chi-restraints excluded: chain IU residue 25 LEU Chi-restraints excluded: chain IU residue 47 ASN Chi-restraints excluded: chain IU residue 57 LEU Chi-restraints excluded: chain IV residue 47 LYS Chi-restraints excluded: chain IV residue 50 VAL Chi-restraints excluded: chain IW residue 30 GLU Chi-restraints excluded: chain IW residue 47 LYS Chi-restraints excluded: chain IW residue 66 ARG Chi-restraints excluded: chain IX residue 35 GLU Chi-restraints excluded: chain IX residue 59 SER Chi-restraints excluded: chain IY residue 30 LEU Chi-restraints excluded: chain IZ residue 45 MET Chi-restraints excluded: chain IZ residue 47 LYS Chi-restraints excluded: chain IZ residue 81 ASN Chi-restraints excluded: chain JA residue 67 ILE Chi-restraints excluded: chain JD residue 59 SER Chi-restraints excluded: chain JD residue 65 LYS Chi-restraints excluded: chain JD residue 81 ASN Chi-restraints excluded: chain JE residue 67 ILE Chi-restraints excluded: chain JE residue 73 SER Chi-restraints excluded: chain JF residue 59 SER Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1920 random chunks: chunk 1209 optimal weight: 5.9990 chunk 1622 optimal weight: 0.0070 chunk 466 optimal weight: 10.0000 chunk 1404 optimal weight: 4.9990 chunk 224 optimal weight: 3.9990 chunk 423 optimal weight: 5.9990 chunk 1525 optimal weight: 1.9990 chunk 638 optimal weight: 6.9990 chunk 1566 optimal weight: 3.9990 chunk 193 optimal weight: 1.9990 chunk 281 optimal weight: 10.0000 overall best weight: 2.4006 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: BU 36 ASN DU 36 ASN GC 36 ASN JA 36 ASN Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3361 r_free = 0.3361 target = 0.111402 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 37)----------------| | r_work = 0.3165 r_free = 0.3165 target = 0.098470 restraints weight = 210310.798| |-----------------------------------------------------------------------------| r_work (start): 0.3178 rms_B_bonded: 1.84 r_work: 0.3052 rms_B_bonded: 2.37 restraints_weight: 0.5000 r_work: 0.2894 rms_B_bonded: 4.05 restraints_weight: 0.2500 r_work (final): 0.2894 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8564 moved from start: 0.3976 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.026 142200 Z= 0.201 Angle : 0.509 11.606 191940 Z= 0.283 Chirality : 0.041 0.147 23940 Planarity : 0.002 0.023 24720 Dihedral : 4.605 28.657 20400 Min Nonbonded Distance : 2.082 Molprobity Statistics. All-atom Clashscore : 5.31 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.81 % Favored : 98.19 % Rotamer: Outliers : 3.30 % Allowed : 26.21 % Favored : 70.50 % 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: 0.20 (0.06), residues: 19140 helix: 1.82 (0.07), residues: 5820 sheet: 0.46 (0.07), residues: 6480 loop : -1.71 (0.07), residues: 6840 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.003 0.001 TRPFG 42 HIS 0.002 0.000 HISHT 80 PHE 0.004 0.001 PHEFO 62 TYR 0.013 0.001 TYRHA 34 ARG 0.004 0.000 ARGDN 78 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 121788.62 seconds wall clock time: 2074 minutes 46.09 seconds (124486.09 seconds total)