Starting phenix.real_space_refine (version: dev) on Thu Apr 21 02:48:06 2022 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j7n_6000/04_2022/3j7n_6000.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j7n_6000/04_2022/3j7n_6000.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.8 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j7n_6000/04_2022/3j7n_6000.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j7n_6000/04_2022/3j7n_6000.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j7n_6000/04_2022/3j7n_6000.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j7n_6000/04_2022/3j7n_6000.pdb" } resolution = 3.8 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 1.114 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Convert atoms to be neutral Process input model Symmetric amino acids flipped Residue "A TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 189": "NH1" <-> "NH2" Residue "B TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 26": "NH1" <-> "NH2" Residue "C ARG 177": "NH1" <-> "NH2" Residue "D TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 189": "NH1" <-> "NH2" Residue "E TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 26": "NH1" <-> "NH2" Residue "F ARG 177": "NH1" <-> "NH2" Residue "G TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 189": "NH1" <-> "NH2" Residue "H TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ARG 26": "NH1" <-> "NH2" Residue "I ARG 177": "NH1" <-> "NH2" Residue "J TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 189": "NH1" <-> "NH2" Residue "K TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 26": "NH1" <-> "NH2" Residue "L ARG 177": "NH1" <-> "NH2" Residue "M TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 189": "NH1" <-> "NH2" Residue "N TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 26": "NH1" <-> "NH2" Residue "O ARG 177": "NH1" <-> "NH2" Residue "P TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 189": "NH1" <-> "NH2" Residue "Q TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 26": "NH1" <-> "NH2" Residue "R ARG 177": "NH1" <-> "NH2" Residue "S TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ARG 189": "NH1" <-> "NH2" Residue "T TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 26": "NH1" <-> "NH2" Residue "U ARG 177": "NH1" <-> "NH2" Residue "V TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 189": "NH1" <-> "NH2" Residue "W TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ARG 26": "NH1" <-> "NH2" Residue "X ARG 177": "NH1" <-> "NH2" Residue "Y TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ARG 189": "NH1" <-> "NH2" Residue "Z TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ARG 26": "NH1" <-> "NH2" Residue "0 ARG 177": "NH1" <-> "NH2" Residue "1 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 189": "NH1" <-> "NH2" Residue "2 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 26": "NH1" <-> "NH2" Residue "3 ARG 177": "NH1" <-> "NH2" Residue "4 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ARG 189": "NH1" <-> "NH2" Residue "5 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ARG 26": "NH1" <-> "NH2" Residue "6 ARG 177": "NH1" <-> "NH2" Residue "7 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ARG 189": "NH1" <-> "NH2" Residue "8 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 ARG 26": "NH1" <-> "NH2" Residue "9 ARG 177": "NH1" <-> "NH2" Residue "a TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ARG 189": "NH1" <-> "NH2" Residue "b TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ARG 26": "NH1" <-> "NH2" Residue "c ARG 177": "NH1" <-> "NH2" Residue "d TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ARG 189": "NH1" <-> "NH2" Residue "e TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ARG 26": "NH1" <-> "NH2" Residue "f ARG 177": "NH1" <-> "NH2" Residue "g TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ARG 189": "NH1" <-> "NH2" Residue "h TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ARG 26": "NH1" <-> "NH2" Residue "i ARG 177": "NH1" <-> "NH2" Residue "j TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ARG 189": "NH1" <-> "NH2" Residue "k TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ARG 26": "NH1" <-> "NH2" Residue "l ARG 177": "NH1" <-> "NH2" Residue "m TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ARG 189": "NH1" <-> "NH2" Residue "n TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ARG 26": "NH1" <-> "NH2" Residue "o ARG 177": "NH1" <-> "NH2" Residue "p TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ARG 189": "NH1" <-> "NH2" Residue "q TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ARG 26": "NH1" <-> "NH2" Residue "r ARG 177": "NH1" <-> "NH2" Residue "s TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ARG 189": "NH1" <-> "NH2" Residue "t TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 26": "NH1" <-> "NH2" Residue "u ARG 177": "NH1" <-> "NH2" Residue "v TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ARG 189": "NH1" <-> "NH2" Residue "w TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ARG 26": "NH1" <-> "NH2" Residue "x ARG 177": "NH1" <-> "NH2" Residue "y TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ARG 189": "NH1" <-> "NH2" Residue "z TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA ARG 26": "NH1" <-> "NH2" Residue "AA ARG 177": "NH1" <-> "NH2" Residue "AB TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AB ARG 189": "NH1" <-> "NH2" Residue "AC TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AD ARG 26": "NH1" <-> "NH2" Residue "AD ARG 177": "NH1" <-> "NH2" Residue "AE TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE ARG 189": "NH1" <-> "NH2" Residue "AF TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG ARG 26": "NH1" <-> "NH2" Residue "AG ARG 177": "NH1" <-> "NH2" Residue "AH TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AH ARG 189": "NH1" <-> "NH2" Residue "AI TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AJ ARG 26": "NH1" <-> "NH2" Residue "AJ ARG 177": "NH1" <-> "NH2" Residue "AK TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK ARG 189": "NH1" <-> "NH2" Residue "AL TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM ARG 26": "NH1" <-> "NH2" Residue "AM ARG 177": "NH1" <-> "NH2" Residue "AN TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AN ARG 189": "NH1" <-> "NH2" Residue "AO TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AP ARG 26": "NH1" <-> "NH2" Residue "AP ARG 177": "NH1" <-> "NH2" Residue "AQ TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ ARG 189": "NH1" <-> "NH2" Residue "AR TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS ARG 26": "NH1" <-> "NH2" Residue "AS ARG 177": "NH1" <-> "NH2" Residue "AT TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AT ARG 189": "NH1" <-> "NH2" Residue "AU TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AV ARG 26": "NH1" <-> "NH2" Residue "AV ARG 177": "NH1" <-> "NH2" Residue "AW TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AW ARG 189": "NH1" <-> "NH2" Residue "AX TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY ARG 26": "NH1" <-> "NH2" Residue "AY ARG 177": "NH1" <-> "NH2" Residue "AZ TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AZ ARG 189": "NH1" <-> "NH2" Residue "A0 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A1 ARG 26": "NH1" <-> "NH2" Residue "A1 ARG 177": "NH1" <-> "NH2" Residue "A2 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A2 ARG 189": "NH1" <-> "NH2" Residue "A3 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A4 ARG 26": "NH1" <-> "NH2" Residue "A4 ARG 177": "NH1" <-> "NH2" Residue "A5 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A5 ARG 189": "NH1" <-> "NH2" Residue "A6 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A7 ARG 26": "NH1" <-> "NH2" Residue "A7 ARG 177": "NH1" <-> "NH2" Residue "A8 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A8 ARG 189": "NH1" <-> "NH2" Residue "A9 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BA ARG 26": "NH1" <-> "NH2" Residue "BA ARG 177": "NH1" <-> "NH2" Residue "BB TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BB ARG 189": "NH1" <-> "NH2" Residue "BC TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BD ARG 26": "NH1" <-> "NH2" Residue "BD ARG 177": "NH1" <-> "NH2" Residue "BE TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BE ARG 189": "NH1" <-> "NH2" Residue "BF TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BG ARG 26": "NH1" <-> "NH2" Residue "BG ARG 177": "NH1" <-> "NH2" Residue "BH TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BH ARG 189": "NH1" <-> "NH2" Residue "BI TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BJ ARG 26": "NH1" <-> "NH2" Residue "BJ ARG 177": "NH1" <-> "NH2" Residue "BK TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BK ARG 189": "NH1" <-> "NH2" Residue "BL TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BM ARG 26": "NH1" <-> "NH2" Residue "BM ARG 177": "NH1" <-> "NH2" Residue "BN TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BN ARG 189": "NH1" <-> "NH2" Residue "BO TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BP ARG 26": "NH1" <-> "NH2" Residue "BP ARG 177": "NH1" <-> "NH2" Residue "BQ TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BQ ARG 189": "NH1" <-> "NH2" Residue "BR TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BS ARG 26": "NH1" <-> "NH2" Residue "BS ARG 177": "NH1" <-> "NH2" Residue "BT TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BT ARG 189": "NH1" <-> "NH2" Residue "BU TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BV ARG 26": "NH1" <-> "NH2" Residue "BV ARG 177": "NH1" <-> "NH2" Residue "BW TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BW ARG 189": "NH1" <-> "NH2" Residue "BX TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BY ARG 26": "NH1" <-> "NH2" Residue "BY ARG 177": "NH1" <-> "NH2" Residue "BZ TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BZ ARG 189": "NH1" <-> "NH2" Residue "B0 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B1 ARG 26": "NH1" <-> "NH2" Residue "B1 ARG 177": "NH1" <-> "NH2" Residue "B2 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B2 ARG 189": "NH1" <-> "NH2" Residue "B3 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B4 ARG 26": "NH1" <-> "NH2" Residue "B4 ARG 177": "NH1" <-> "NH2" Residue "B5 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B5 ARG 189": "NH1" <-> "NH2" Residue "B6 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B7 ARG 26": "NH1" <-> "NH2" Residue "B7 ARG 177": "NH1" <-> "NH2" Residue "B8 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B8 ARG 189": "NH1" <-> "NH2" Residue "B9 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CA ARG 26": "NH1" <-> "NH2" Residue "CA ARG 177": "NH1" <-> "NH2" Residue "CB TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CB ARG 189": "NH1" <-> "NH2" Residue "CC TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CD ARG 26": "NH1" <-> "NH2" Residue "CD ARG 177": "NH1" <-> "NH2" Residue "CE TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CE ARG 189": "NH1" <-> "NH2" Residue "CF TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CG ARG 26": "NH1" <-> "NH2" Residue "CG ARG 177": "NH1" <-> "NH2" Residue "CH TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CH ARG 189": "NH1" <-> "NH2" Residue "CI TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CJ ARG 26": "NH1" <-> "NH2" Residue "CJ ARG 177": "NH1" <-> "NH2" Residue "CK TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CK ARG 189": "NH1" <-> "NH2" Residue "CL TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CM ARG 26": "NH1" <-> "NH2" Residue "CM ARG 177": "NH1" <-> "NH2" Residue "CN TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CN ARG 189": "NH1" <-> "NH2" Residue "CO TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CP ARG 26": "NH1" <-> "NH2" Residue "CP ARG 177": "NH1" <-> "NH2" Residue "CQ TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CQ ARG 189": "NH1" <-> "NH2" Residue "CR TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CS ARG 26": "NH1" <-> "NH2" Residue "CS ARG 177": "NH1" <-> "NH2" Residue "CT TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CT ARG 189": "NH1" <-> "NH2" Residue "CU TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CV ARG 26": "NH1" <-> "NH2" Residue "CV ARG 177": "NH1" <-> "NH2" Residue "CW TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CW ARG 189": "NH1" <-> "NH2" Residue "CX TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CY ARG 26": "NH1" <-> "NH2" Residue "CY ARG 177": "NH1" <-> "NH2" Residue "CZ TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CZ ARG 189": "NH1" <-> "NH2" Residue "C0 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C1 ARG 26": "NH1" <-> "NH2" Residue "C1 ARG 177": "NH1" <-> "NH2" Residue "C2 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C2 ARG 189": "NH1" <-> "NH2" Residue "C3 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C4 ARG 26": "NH1" <-> "NH2" Residue "C4 ARG 177": "NH1" <-> "NH2" Residue "C5 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C5 ARG 189": "NH1" <-> "NH2" Residue "C6 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C7 ARG 26": "NH1" <-> "NH2" Residue "C7 ARG 177": "NH1" <-> "NH2" Residue "C8 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C8 ARG 189": "NH1" <-> "NH2" Residue "C9 TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DA ARG 26": "NH1" <-> "NH2" Residue "DA ARG 177": "NH1" <-> "NH2" Residue "DB TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DB ARG 189": "NH1" <-> "NH2" Residue "DC TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DD ARG 26": "NH1" <-> "NH2" Residue "DD ARG 177": "NH1" <-> "NH2" Residue "DE TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DE ARG 189": "NH1" <-> "NH2" Residue "DF TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DG ARG 26": "NH1" <-> "NH2" Residue "DG ARG 177": "NH1" <-> "NH2" Residue "DH TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DH ARG 189": "NH1" <-> "NH2" Residue "DI TYR 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DJ ARG 26": "NH1" <-> "NH2" Residue "DJ ARG 177": "NH1" <-> "NH2" Time to flip residues: 0.51s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4553/modules/chem_data/mon_lib" Total number of atoms: 217080 Number of models: 1 Model: "" Number of chains: 180 Chain: "A" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "B" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "C" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "D" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "E" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "F" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "G" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "H" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "I" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "J" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "K" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "L" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "M" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "N" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "O" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "P" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "Q" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "R" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "S" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "T" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "U" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "V" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "W" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "X" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "Y" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "Z" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "0" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "1" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "2" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "3" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "4" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "5" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "6" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "7" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "8" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "9" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "a" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "b" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "c" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "d" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "e" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "f" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "g" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "h" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "i" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "j" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "k" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "l" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "m" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "n" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "o" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "p" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "q" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "r" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "s" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "t" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "u" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "v" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "w" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "x" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "y" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "z" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "AA" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "AB" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "AC" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "AD" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "AE" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "AF" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "AG" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "AH" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "AI" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "AJ" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "AK" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "AL" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "AM" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "AN" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "AO" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "AP" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "AQ" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "AR" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "AS" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "AT" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "AU" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "AV" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "AW" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "AX" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "AY" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "AZ" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "A0" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "A1" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "A2" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "A3" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "A4" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "A5" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "A6" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "A7" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "A8" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "A9" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "BA" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "BB" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "BC" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "BD" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "BE" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "BF" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "BG" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "BH" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "BI" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "BJ" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "BK" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "BL" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "BM" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "BN" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "BO" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "BP" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "BQ" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "BR" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "BS" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "BT" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "BU" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "BV" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "BW" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "BX" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "BY" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "BZ" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "B0" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "B1" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "B2" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "B3" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "B4" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "B5" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "B6" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "B7" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "B8" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "B9" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "CA" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "CB" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "CC" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "CD" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "CE" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "CF" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "CG" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "CH" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "CI" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "CJ" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "CK" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "CL" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "CM" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "CN" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "CO" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "CP" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "CQ" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "CR" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "CS" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "CT" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "CU" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "CV" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "CW" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "CX" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "CY" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "CZ" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "C0" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "C1" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "C2" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "C3" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "C4" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "C5" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "C6" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "C7" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "C8" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "C9" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "DA" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "DB" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "DC" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "DD" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "DE" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "DF" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "DG" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Chain: "DH" Number of atoms: 1133 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1133 Classifications: {'peptide': 149} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 143} Chain: "DI" Number of atoms: 1245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1245 Classifications: {'peptide': 165} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 155} Chain: "DJ" Number of atoms: 1240 Number of conformers: 1 Conformer: "" Number of residues, atoms: 164, 1240 Classifications: {'peptide': 164} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 156} Time building chain proxies: 83.00, per 1000 atoms: 0.38 Number of scatterers: 217080 At special positions: 0 Unit cell: (292.05, 286.11, 296.01, 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 540 16.00 O 40500 8.00 N 36660 7.00 C 139380 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: 63.05 Conformation dependent library (CDL) restraints added in 22.1 seconds 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 54720 Finding SS restraints... Secondary structure from input PDB file: 720 helices and 480 sheets defined 14.0% alpha, 18.0% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 8.82 Creating SS restraints... Processing helix chain 'A' and resid 117 through 122 Processing helix chain 'A' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU A 149 " --> pdb=" O THR A 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU A 150 " --> pdb=" O LEU A 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 145 through 150' Processing helix chain 'A' and resid 178 through 182 Processing helix chain 'B' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU B 84 " --> pdb=" O LYS B 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU B 85 " --> pdb=" O ASN B 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 81 through 85' Processing helix chain 'B' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE B 119 " --> pdb=" O ALA B 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN B 120 " --> pdb=" O GLU B 116 " (cutoff:3.500A) Processing helix chain 'B' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU B 150 " --> pdb=" O GLY B 147 " (cutoff:3.500A) Processing helix chain 'B' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASP B 182 " --> pdb=" O THR B 179 " (cutoff:3.500A) Processing helix chain 'C' and resid 74 through 78 Processing helix chain 'C' and resid 114 through 116 No H-bonds generated for 'chain 'C' and resid 114 through 116' Processing helix chain 'C' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL C 121 " --> pdb=" O ALA C 117 " (cutoff:3.500A) Processing helix chain 'C' and resid 145 through 150 Processing helix chain 'C' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP C 181 " --> pdb=" O PRO C 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP C 182 " --> pdb=" O THR C 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE C 183 " --> pdb=" O PHE C 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 178 through 183' Processing helix chain 'D' and resid 117 through 122 Processing helix chain 'D' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU D 149 " --> pdb=" O THR D 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU D 150 " --> pdb=" O LEU D 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 145 through 150' Processing helix chain 'D' and resid 178 through 182 Processing helix chain 'E' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU E 84 " --> pdb=" O LYS E 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU E 85 " --> pdb=" O ASN E 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 81 through 85' Processing helix chain 'E' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE E 119 " --> pdb=" O ALA E 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN E 120 " --> pdb=" O GLU E 116 " (cutoff:3.500A) Processing helix chain 'E' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEU E 150 " --> pdb=" O GLY E 147 " (cutoff:3.500A) Processing helix chain 'E' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASP E 182 " --> pdb=" O THR E 179 " (cutoff:3.500A) Processing helix chain 'F' and resid 74 through 78 Processing helix chain 'F' and resid 114 through 116 No H-bonds generated for 'chain 'F' and resid 114 through 116' Processing helix chain 'F' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL F 121 " --> pdb=" O ALA F 117 " (cutoff:3.500A) Processing helix chain 'F' and resid 145 through 150 Processing helix chain 'F' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP F 181 " --> pdb=" O PRO F 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP F 182 " --> pdb=" O THR F 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE F 183 " --> pdb=" O PHE F 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 178 through 183' Processing helix chain 'G' and resid 117 through 122 Processing helix chain 'G' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU G 149 " --> pdb=" O THR G 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU G 150 " --> pdb=" O LEU G 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 145 through 150' Processing helix chain 'G' and resid 178 through 182 Processing helix chain 'H' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU H 84 " --> pdb=" O LYS H 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU H 85 " --> pdb=" O ASN H 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 81 through 85' Processing helix chain 'H' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE H 119 " --> pdb=" O ALA H 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLN H 120 " --> pdb=" O GLU H 116 " (cutoff:3.500A) Processing helix chain 'H' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEU H 150 " --> pdb=" O GLY H 147 " (cutoff:3.500A) Processing helix chain 'H' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASP H 182 " --> pdb=" O THR H 179 " (cutoff:3.500A) Processing helix chain 'I' and resid 74 through 78 Processing helix chain 'I' and resid 114 through 116 No H-bonds generated for 'chain 'I' and resid 114 through 116' Processing helix chain 'I' and resid 117 through 122 removed outlier: 3.678A pdb=" N VAL I 121 " --> pdb=" O ALA I 117 " (cutoff:3.500A) Processing helix chain 'I' and resid 145 through 150 Processing helix chain 'I' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP I 181 " --> pdb=" O PRO I 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASP I 182 " --> pdb=" O THR I 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE I 183 " --> pdb=" O PHE I 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 178 through 183' Processing helix chain 'J' and resid 117 through 122 Processing helix chain 'J' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU J 149 " --> pdb=" O THR J 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU J 150 " --> pdb=" O LEU J 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 145 through 150' Processing helix chain 'J' and resid 178 through 182 Processing helix chain 'K' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU K 84 " --> pdb=" O LYS K 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEU K 85 " --> pdb=" O ASN K 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 81 through 85' Processing helix chain 'K' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE K 119 " --> pdb=" O ALA K 115 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLN K 120 " --> pdb=" O GLU K 116 " (cutoff:3.500A) Processing helix chain 'K' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU K 150 " --> pdb=" O GLY K 147 " (cutoff:3.500A) Processing helix chain 'K' and resid 178 through 182 removed outlier: 3.858A pdb=" N ASP K 182 " --> pdb=" O THR K 179 " (cutoff:3.500A) Processing helix chain 'L' and resid 74 through 78 Processing helix chain 'L' and resid 114 through 116 No H-bonds generated for 'chain 'L' and resid 114 through 116' Processing helix chain 'L' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL L 121 " --> pdb=" O ALA L 117 " (cutoff:3.500A) Processing helix chain 'L' and resid 145 through 150 Processing helix chain 'L' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASP L 181 " --> pdb=" O PRO L 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP L 182 " --> pdb=" O THR L 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE L 183 " --> pdb=" O PHE L 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 178 through 183' Processing helix chain 'M' and resid 117 through 122 Processing helix chain 'M' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU M 149 " --> pdb=" O THR M 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU M 150 " --> pdb=" O LEU M 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 145 through 150' Processing helix chain 'M' and resid 178 through 182 Processing helix chain 'N' and resid 81 through 85 removed outlier: 3.622A pdb=" N GLU N 84 " --> pdb=" O LYS N 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU N 85 " --> pdb=" O ASN N 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 81 through 85' Processing helix chain 'N' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE N 119 " --> pdb=" O ALA N 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN N 120 " --> pdb=" O GLU N 116 " (cutoff:3.500A) Processing helix chain 'N' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU N 150 " --> pdb=" O GLY N 147 " (cutoff:3.500A) Processing helix chain 'N' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASP N 182 " --> pdb=" O THR N 179 " (cutoff:3.500A) Processing helix chain 'O' and resid 74 through 78 Processing helix chain 'O' and resid 114 through 116 No H-bonds generated for 'chain 'O' and resid 114 through 116' Processing helix chain 'O' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL O 121 " --> pdb=" O ALA O 117 " (cutoff:3.500A) Processing helix chain 'O' and resid 145 through 150 Processing helix chain 'O' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP O 181 " --> pdb=" O PRO O 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASP O 182 " --> pdb=" O THR O 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE O 183 " --> pdb=" O PHE O 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 178 through 183' Processing helix chain 'P' and resid 117 through 122 Processing helix chain 'P' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU P 149 " --> pdb=" O THR P 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU P 150 " --> pdb=" O LEU P 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 145 through 150' Processing helix chain 'P' and resid 178 through 182 Processing helix chain 'Q' and resid 81 through 85 removed outlier: 3.624A pdb=" N GLU Q 84 " --> pdb=" O LYS Q 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU Q 85 " --> pdb=" O ASN Q 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 81 through 85' Processing helix chain 'Q' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE Q 119 " --> pdb=" O ALA Q 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLN Q 120 " --> pdb=" O GLU Q 116 " (cutoff:3.500A) Processing helix chain 'Q' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEU Q 150 " --> pdb=" O GLY Q 147 " (cutoff:3.500A) Processing helix chain 'Q' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASP Q 182 " --> pdb=" O THR Q 179 " (cutoff:3.500A) Processing helix chain 'R' and resid 74 through 78 Processing helix chain 'R' and resid 114 through 116 No H-bonds generated for 'chain 'R' and resid 114 through 116' Processing helix chain 'R' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL R 121 " --> pdb=" O ALA R 117 " (cutoff:3.500A) Processing helix chain 'R' and resid 145 through 150 Processing helix chain 'R' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASP R 181 " --> pdb=" O PRO R 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP R 182 " --> pdb=" O THR R 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHE R 183 " --> pdb=" O PHE R 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 178 through 183' Processing helix chain 'S' and resid 117 through 122 Processing helix chain 'S' and resid 145 through 150 removed outlier: 3.655A pdb=" N LEU S 149 " --> pdb=" O THR S 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU S 150 " --> pdb=" O LEU S 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 145 through 150' Processing helix chain 'S' and resid 178 through 182 Processing helix chain 'T' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU T 84 " --> pdb=" O LYS T 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU T 85 " --> pdb=" O ASN T 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 81 through 85' Processing helix chain 'T' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE T 119 " --> pdb=" O ALA T 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN T 120 " --> pdb=" O GLU T 116 " (cutoff:3.500A) Processing helix chain 'T' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEU T 150 " --> pdb=" O GLY T 147 " (cutoff:3.500A) Processing helix chain 'T' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASP T 182 " --> pdb=" O THR T 179 " (cutoff:3.500A) Processing helix chain 'U' and resid 74 through 78 Processing helix chain 'U' and resid 114 through 116 No H-bonds generated for 'chain 'U' and resid 114 through 116' Processing helix chain 'U' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL U 121 " --> pdb=" O ALA U 117 " (cutoff:3.500A) Processing helix chain 'U' and resid 145 through 150 Processing helix chain 'U' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP U 181 " --> pdb=" O PRO U 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP U 182 " --> pdb=" O THR U 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE U 183 " --> pdb=" O PHE U 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 178 through 183' Processing helix chain 'V' and resid 117 through 122 Processing helix chain 'V' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU V 149 " --> pdb=" O THR V 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU V 150 " --> pdb=" O LEU V 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 145 through 150' Processing helix chain 'V' and resid 178 through 182 Processing helix chain 'W' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU W 84 " --> pdb=" O LYS W 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEU W 85 " --> pdb=" O ASN W 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 81 through 85' Processing helix chain 'W' and resid 114 through 120 removed outlier: 4.048A pdb=" N PHE W 119 " --> pdb=" O ALA W 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN W 120 " --> pdb=" O GLU W 116 " (cutoff:3.500A) Processing helix chain 'W' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU W 150 " --> pdb=" O GLY W 147 " (cutoff:3.500A) Processing helix chain 'W' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASP W 182 " --> pdb=" O THR W 179 " (cutoff:3.500A) Processing helix chain 'X' and resid 74 through 78 Processing helix chain 'X' and resid 114 through 116 No H-bonds generated for 'chain 'X' and resid 114 through 116' Processing helix chain 'X' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL X 121 " --> pdb=" O ALA X 117 " (cutoff:3.500A) Processing helix chain 'X' and resid 145 through 150 Processing helix chain 'X' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASP X 181 " --> pdb=" O PRO X 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASP X 182 " --> pdb=" O THR X 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE X 183 " --> pdb=" O PHE X 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 178 through 183' Processing helix chain 'Y' and resid 117 through 122 Processing helix chain 'Y' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU Y 149 " --> pdb=" O THR Y 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU Y 150 " --> pdb=" O LEU Y 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 145 through 150' Processing helix chain 'Y' and resid 178 through 182 Processing helix chain 'Z' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU Z 84 " --> pdb=" O LYS Z 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU Z 85 " --> pdb=" O ASN Z 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 81 through 85' Processing helix chain 'Z' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE Z 119 " --> pdb=" O ALA Z 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN Z 120 " --> pdb=" O GLU Z 116 " (cutoff:3.500A) Processing helix chain 'Z' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEU Z 150 " --> pdb=" O GLY Z 147 " (cutoff:3.500A) Processing helix chain 'Z' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASP Z 182 " --> pdb=" O THR Z 179 " (cutoff:3.500A) Processing helix chain '0' and resid 74 through 78 Processing helix chain '0' and resid 114 through 116 No H-bonds generated for 'chain '0' and resid 114 through 116' Processing helix chain '0' and resid 117 through 122 removed outlier: 3.678A pdb=" N VAL 0 121 " --> pdb=" O ALA 0 117 " (cutoff:3.500A) Processing helix chain '0' and resid 145 through 150 Processing helix chain '0' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP 0 181 " --> pdb=" O PRO 0 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP 0 182 " --> pdb=" O THR 0 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE 0 183 " --> pdb=" O PHE 0 180 " (cutoff:3.500A) No H-bonds generated for 'chain '0' and resid 178 through 183' Processing helix chain '1' and resid 117 through 122 Processing helix chain '1' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU 1 149 " --> pdb=" O THR 1 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU 1 150 " --> pdb=" O LEU 1 146 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 145 through 150' Processing helix chain '1' and resid 178 through 182 Processing helix chain '2' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU 2 84 " --> pdb=" O LYS 2 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU 2 85 " --> pdb=" O ASN 2 82 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 81 through 85' Processing helix chain '2' and resid 114 through 120 removed outlier: 4.048A pdb=" N PHE 2 119 " --> pdb=" O ALA 2 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLN 2 120 " --> pdb=" O GLU 2 116 " (cutoff:3.500A) Processing helix chain '2' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU 2 150 " --> pdb=" O GLY 2 147 " (cutoff:3.500A) Processing helix chain '2' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASP 2 182 " --> pdb=" O THR 2 179 " (cutoff:3.500A) Processing helix chain '3' and resid 74 through 78 Processing helix chain '3' and resid 114 through 116 No H-bonds generated for 'chain '3' and resid 114 through 116' Processing helix chain '3' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL 3 121 " --> pdb=" O ALA 3 117 " (cutoff:3.500A) Processing helix chain '3' and resid 145 through 150 Processing helix chain '3' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASP 3 181 " --> pdb=" O PRO 3 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP 3 182 " --> pdb=" O THR 3 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE 3 183 " --> pdb=" O PHE 3 180 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 178 through 183' Processing helix chain '4' and resid 117 through 122 Processing helix chain '4' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU 4 149 " --> pdb=" O THR 4 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU 4 150 " --> pdb=" O LEU 4 146 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 145 through 150' Processing helix chain '4' and resid 178 through 182 Processing helix chain '5' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU 5 84 " --> pdb=" O LYS 5 81 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEU 5 85 " --> pdb=" O ASN 5 82 " (cutoff:3.500A) No H-bonds generated for 'chain '5' and resid 81 through 85' Processing helix chain '5' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE 5 119 " --> pdb=" O ALA 5 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLN 5 120 " --> pdb=" O GLU 5 116 " (cutoff:3.500A) Processing helix chain '5' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU 5 150 " --> pdb=" O GLY 5 147 " (cutoff:3.500A) Processing helix chain '5' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASP 5 182 " --> pdb=" O THR 5 179 " (cutoff:3.500A) Processing helix chain '6' and resid 74 through 78 Processing helix chain '6' and resid 114 through 116 No H-bonds generated for 'chain '6' and resid 114 through 116' Processing helix chain '6' and resid 117 through 122 removed outlier: 3.678A pdb=" N VAL 6 121 " --> pdb=" O ALA 6 117 " (cutoff:3.500A) Processing helix chain '6' and resid 145 through 150 Processing helix chain '6' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP 6 181 " --> pdb=" O PRO 6 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP 6 182 " --> pdb=" O THR 6 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE 6 183 " --> pdb=" O PHE 6 180 " (cutoff:3.500A) No H-bonds generated for 'chain '6' and resid 178 through 183' Processing helix chain '7' and resid 117 through 122 Processing helix chain '7' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU 7 149 " --> pdb=" O THR 7 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU 7 150 " --> pdb=" O LEU 7 146 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 145 through 150' Processing helix chain '7' and resid 178 through 182 Processing helix chain '8' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU 8 84 " --> pdb=" O LYS 8 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU 8 85 " --> pdb=" O ASN 8 82 " (cutoff:3.500A) No H-bonds generated for 'chain '8' and resid 81 through 85' Processing helix chain '8' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE 8 119 " --> pdb=" O ALA 8 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN 8 120 " --> pdb=" O GLU 8 116 " (cutoff:3.500A) Processing helix chain '8' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEU 8 150 " --> pdb=" O GLY 8 147 " (cutoff:3.500A) Processing helix chain '8' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASP 8 182 " --> pdb=" O THR 8 179 " (cutoff:3.500A) Processing helix chain '9' and resid 74 through 78 Processing helix chain '9' and resid 114 through 116 No H-bonds generated for 'chain '9' and resid 114 through 116' Processing helix chain '9' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL 9 121 " --> pdb=" O ALA 9 117 " (cutoff:3.500A) Processing helix chain '9' and resid 145 through 150 Processing helix chain '9' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASP 9 181 " --> pdb=" O PRO 9 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP 9 182 " --> pdb=" O THR 9 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHE 9 183 " --> pdb=" O PHE 9 180 " (cutoff:3.500A) No H-bonds generated for 'chain '9' and resid 178 through 183' Processing helix chain 'a' and resid 117 through 122 Processing helix chain 'a' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU a 149 " --> pdb=" O THR a 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU a 150 " --> pdb=" O LEU a 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 145 through 150' Processing helix chain 'a' and resid 178 through 182 Processing helix chain 'b' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU b 84 " --> pdb=" O LYS b 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU b 85 " --> pdb=" O ASN b 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 81 through 85' Processing helix chain 'b' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE b 119 " --> pdb=" O ALA b 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN b 120 " --> pdb=" O GLU b 116 " (cutoff:3.500A) Processing helix chain 'b' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU b 150 " --> pdb=" O GLY b 147 " (cutoff:3.500A) Processing helix chain 'b' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASP b 182 " --> pdb=" O THR b 179 " (cutoff:3.500A) Processing helix chain 'c' and resid 74 through 78 Processing helix chain 'c' and resid 114 through 116 No H-bonds generated for 'chain 'c' and resid 114 through 116' Processing helix chain 'c' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL c 121 " --> pdb=" O ALA c 117 " (cutoff:3.500A) Processing helix chain 'c' and resid 145 through 150 Processing helix chain 'c' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP c 181 " --> pdb=" O PRO c 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP c 182 " --> pdb=" O THR c 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHE c 183 " --> pdb=" O PHE c 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 178 through 183' Processing helix chain 'd' and resid 117 through 122 Processing helix chain 'd' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU d 149 " --> pdb=" O THR d 145 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LEU d 150 " --> pdb=" O LEU d 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'd' and resid 145 through 150' Processing helix chain 'd' and resid 178 through 182 Processing helix chain 'e' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU e 84 " --> pdb=" O LYS e 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEU e 85 " --> pdb=" O ASN e 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 81 through 85' Processing helix chain 'e' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE e 119 " --> pdb=" O ALA e 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN e 120 " --> pdb=" O GLU e 116 " (cutoff:3.500A) Processing helix chain 'e' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU e 150 " --> pdb=" O GLY e 147 " (cutoff:3.500A) Processing helix chain 'e' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASP e 182 " --> pdb=" O THR e 179 " (cutoff:3.500A) Processing helix chain 'f' and resid 74 through 78 Processing helix chain 'f' and resid 114 through 116 No H-bonds generated for 'chain 'f' and resid 114 through 116' Processing helix chain 'f' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL f 121 " --> pdb=" O ALA f 117 " (cutoff:3.500A) Processing helix chain 'f' and resid 145 through 150 Processing helix chain 'f' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASP f 181 " --> pdb=" O PRO f 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP f 182 " --> pdb=" O THR f 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE f 183 " --> pdb=" O PHE f 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'f' and resid 178 through 183' Processing helix chain 'g' and resid 117 through 122 Processing helix chain 'g' and resid 145 through 150 removed outlier: 3.655A pdb=" N LEU g 149 " --> pdb=" O THR g 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU g 150 " --> pdb=" O LEU g 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 145 through 150' Processing helix chain 'g' and resid 178 through 182 Processing helix chain 'h' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU h 84 " --> pdb=" O LYS h 81 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEU h 85 " --> pdb=" O ASN h 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 81 through 85' Processing helix chain 'h' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE h 119 " --> pdb=" O ALA h 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN h 120 " --> pdb=" O GLU h 116 " (cutoff:3.500A) Processing helix chain 'h' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU h 150 " --> pdb=" O GLY h 147 " (cutoff:3.500A) Processing helix chain 'h' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASP h 182 " --> pdb=" O THR h 179 " (cutoff:3.500A) Processing helix chain 'i' and resid 74 through 78 Processing helix chain 'i' and resid 114 through 116 No H-bonds generated for 'chain 'i' and resid 114 through 116' Processing helix chain 'i' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL i 121 " --> pdb=" O ALA i 117 " (cutoff:3.500A) Processing helix chain 'i' and resid 145 through 150 Processing helix chain 'i' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP i 181 " --> pdb=" O PRO i 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASP i 182 " --> pdb=" O THR i 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE i 183 " --> pdb=" O PHE i 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 178 through 183' Processing helix chain 'j' and resid 117 through 122 Processing helix chain 'j' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU j 149 " --> pdb=" O THR j 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU j 150 " --> pdb=" O LEU j 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 145 through 150' Processing helix chain 'j' and resid 178 through 182 Processing helix chain 'k' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU k 84 " --> pdb=" O LYS k 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU k 85 " --> pdb=" O ASN k 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 81 through 85' Processing helix chain 'k' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE k 119 " --> pdb=" O ALA k 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLN k 120 " --> pdb=" O GLU k 116 " (cutoff:3.500A) Processing helix chain 'k' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEU k 150 " --> pdb=" O GLY k 147 " (cutoff:3.500A) Processing helix chain 'k' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASP k 182 " --> pdb=" O THR k 179 " (cutoff:3.500A) Processing helix chain 'l' and resid 74 through 78 Processing helix chain 'l' and resid 114 through 116 No H-bonds generated for 'chain 'l' and resid 114 through 116' Processing helix chain 'l' and resid 117 through 122 removed outlier: 3.678A pdb=" N VAL l 121 " --> pdb=" O ALA l 117 " (cutoff:3.500A) Processing helix chain 'l' and resid 145 through 150 Processing helix chain 'l' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP l 181 " --> pdb=" O PRO l 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASP l 182 " --> pdb=" O THR l 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE l 183 " --> pdb=" O PHE l 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 178 through 183' Processing helix chain 'm' and resid 117 through 122 Processing helix chain 'm' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU m 149 " --> pdb=" O THR m 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU m 150 " --> pdb=" O LEU m 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 145 through 150' Processing helix chain 'm' and resid 178 through 182 Processing helix chain 'n' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU n 84 " --> pdb=" O LYS n 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEU n 85 " --> pdb=" O ASN n 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'n' and resid 81 through 85' Processing helix chain 'n' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE n 119 " --> pdb=" O ALA n 115 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLN n 120 " --> pdb=" O GLU n 116 " (cutoff:3.500A) Processing helix chain 'n' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU n 150 " --> pdb=" O GLY n 147 " (cutoff:3.500A) Processing helix chain 'n' and resid 178 through 182 removed outlier: 3.858A pdb=" N ASP n 182 " --> pdb=" O THR n 179 " (cutoff:3.500A) Processing helix chain 'o' and resid 74 through 78 Processing helix chain 'o' and resid 114 through 116 No H-bonds generated for 'chain 'o' and resid 114 through 116' Processing helix chain 'o' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL o 121 " --> pdb=" O ALA o 117 " (cutoff:3.500A) Processing helix chain 'o' and resid 145 through 150 Processing helix chain 'o' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASP o 181 " --> pdb=" O PRO o 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP o 182 " --> pdb=" O THR o 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE o 183 " --> pdb=" O PHE o 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 178 through 183' Processing helix chain 'p' and resid 117 through 122 Processing helix chain 'p' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU p 149 " --> pdb=" O THR p 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU p 150 " --> pdb=" O LEU p 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'p' and resid 145 through 150' Processing helix chain 'p' and resid 178 through 182 Processing helix chain 'q' and resid 81 through 85 removed outlier: 3.622A pdb=" N GLU q 84 " --> pdb=" O LYS q 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU q 85 " --> pdb=" O ASN q 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'q' and resid 81 through 85' Processing helix chain 'q' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE q 119 " --> pdb=" O ALA q 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN q 120 " --> pdb=" O GLU q 116 " (cutoff:3.500A) Processing helix chain 'q' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU q 150 " --> pdb=" O GLY q 147 " (cutoff:3.500A) Processing helix chain 'q' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASP q 182 " --> pdb=" O THR q 179 " (cutoff:3.500A) Processing helix chain 'r' and resid 74 through 78 Processing helix chain 'r' and resid 114 through 116 No H-bonds generated for 'chain 'r' and resid 114 through 116' Processing helix chain 'r' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL r 121 " --> pdb=" O ALA r 117 " (cutoff:3.500A) Processing helix chain 'r' and resid 145 through 150 Processing helix chain 'r' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP r 181 " --> pdb=" O PRO r 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASP r 182 " --> pdb=" O THR r 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE r 183 " --> pdb=" O PHE r 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'r' and resid 178 through 183' Processing helix chain 's' and resid 117 through 122 Processing helix chain 's' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU s 149 " --> pdb=" O THR s 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU s 150 " --> pdb=" O LEU s 146 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 145 through 150' Processing helix chain 's' and resid 178 through 182 Processing helix chain 't' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU t 84 " --> pdb=" O LYS t 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU t 85 " --> pdb=" O ASN t 82 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 81 through 85' Processing helix chain 't' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE t 119 " --> pdb=" O ALA t 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN t 120 " --> pdb=" O GLU t 116 " (cutoff:3.500A) Processing helix chain 't' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU t 150 " --> pdb=" O GLY t 147 " (cutoff:3.500A) Processing helix chain 't' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASP t 182 " --> pdb=" O THR t 179 " (cutoff:3.500A) Processing helix chain 'u' and resid 74 through 78 Processing helix chain 'u' and resid 114 through 116 No H-bonds generated for 'chain 'u' and resid 114 through 116' Processing helix chain 'u' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL u 121 " --> pdb=" O ALA u 117 " (cutoff:3.500A) Processing helix chain 'u' and resid 145 through 150 Processing helix chain 'u' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASP u 181 " --> pdb=" O PRO u 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP u 182 " --> pdb=" O THR u 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE u 183 " --> pdb=" O PHE u 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 178 through 183' Processing helix chain 'v' and resid 117 through 122 Processing helix chain 'v' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU v 149 " --> pdb=" O THR v 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU v 150 " --> pdb=" O LEU v 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 145 through 150' Processing helix chain 'v' and resid 178 through 182 Processing helix chain 'w' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU w 84 " --> pdb=" O LYS w 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU w 85 " --> pdb=" O ASN w 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 81 through 85' Processing helix chain 'w' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE w 119 " --> pdb=" O ALA w 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN w 120 " --> pdb=" O GLU w 116 " (cutoff:3.500A) Processing helix chain 'w' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEU w 150 " --> pdb=" O GLY w 147 " (cutoff:3.500A) Processing helix chain 'w' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASP w 182 " --> pdb=" O THR w 179 " (cutoff:3.500A) Processing helix chain 'x' and resid 74 through 78 Processing helix chain 'x' and resid 114 through 116 No H-bonds generated for 'chain 'x' and resid 114 through 116' Processing helix chain 'x' and resid 117 through 122 removed outlier: 3.677A pdb=" N VAL x 121 " --> pdb=" O ALA x 117 " (cutoff:3.500A) Processing helix chain 'x' and resid 145 through 150 Processing helix chain 'x' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASP x 181 " --> pdb=" O PRO x 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASP x 182 " --> pdb=" O THR x 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHE x 183 " --> pdb=" O PHE x 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 178 through 183' Processing helix chain 'y' and resid 117 through 122 Processing helix chain 'y' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEU y 149 " --> pdb=" O THR y 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU y 150 " --> pdb=" O LEU y 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'y' and resid 145 through 150' Processing helix chain 'y' and resid 178 through 182 Processing helix chain 'z' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLU z 84 " --> pdb=" O LYS z 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEU z 85 " --> pdb=" O ASN z 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'z' and resid 81 through 85' Processing helix chain 'z' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHE z 119 " --> pdb=" O ALA z 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLN z 120 " --> pdb=" O GLU z 116 " (cutoff:3.500A) Processing helix chain 'z' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEU z 150 " --> pdb=" O GLY z 147 " (cutoff:3.500A) Processing helix chain 'z' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASP z 182 " --> pdb=" O THR z 179 " (cutoff:3.500A) Processing helix chain 'AA' and resid 74 through 78 Processing helix chain 'AA' and resid 114 through 116 No H-bonds generated for 'chain 'AA' and resid 114 through 116' Processing helix chain 'AA' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALAA 121 " --> pdb=" O ALAAA 117 " (cutoff:3.500A) Processing helix chain 'AA' and resid 145 through 150 Processing helix chain 'AA' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPAA 181 " --> pdb=" O PROAA 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPAA 182 " --> pdb=" O THRAA 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEAA 183 " --> pdb=" O PHEAA 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'AA' and resid 178 through 183' Processing helix chain 'AB' and resid 117 through 122 Processing helix chain 'AB' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUAB 149 " --> pdb=" O THRAB 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUAB 150 " --> pdb=" O LEUAB 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'AB' and resid 145 through 150' Processing helix chain 'AB' and resid 178 through 182 Processing helix chain 'AC' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUAC 84 " --> pdb=" O LYSAC 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUAC 85 " --> pdb=" O ASNAC 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'AC' and resid 81 through 85' Processing helix chain 'AC' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEAC 119 " --> pdb=" O ALAAC 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNAC 120 " --> pdb=" O GLUAC 116 " (cutoff:3.500A) Processing helix chain 'AC' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUAC 150 " --> pdb=" O GLYAC 147 " (cutoff:3.500A) Processing helix chain 'AC' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPAC 182 " --> pdb=" O THRAC 179 " (cutoff:3.500A) Processing helix chain 'AD' and resid 74 through 78 Processing helix chain 'AD' and resid 114 through 116 No H-bonds generated for 'chain 'AD' and resid 114 through 116' Processing helix chain 'AD' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALAD 121 " --> pdb=" O ALAAD 117 " (cutoff:3.500A) Processing helix chain 'AD' and resid 145 through 150 Processing helix chain 'AD' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPAD 181 " --> pdb=" O PROAD 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPAD 182 " --> pdb=" O THRAD 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEAD 183 " --> pdb=" O PHEAD 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'AD' and resid 178 through 183' Processing helix chain 'AE' and resid 117 through 122 Processing helix chain 'AE' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUAE 149 " --> pdb=" O THRAE 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUAE 150 " --> pdb=" O LEUAE 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'AE' and resid 145 through 150' Processing helix chain 'AE' and resid 178 through 182 Processing helix chain 'AF' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUAF 84 " --> pdb=" O LYSAF 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUAF 85 " --> pdb=" O ASNAF 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'AF' and resid 81 through 85' Processing helix chain 'AF' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEAF 119 " --> pdb=" O ALAAF 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNAF 120 " --> pdb=" O GLUAF 116 " (cutoff:3.500A) Processing helix chain 'AF' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUAF 150 " --> pdb=" O GLYAF 147 " (cutoff:3.500A) Processing helix chain 'AF' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPAF 182 " --> pdb=" O THRAF 179 " (cutoff:3.500A) Processing helix chain 'AG' and resid 74 through 78 Processing helix chain 'AG' and resid 114 through 116 No H-bonds generated for 'chain 'AG' and resid 114 through 116' Processing helix chain 'AG' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALAG 121 " --> pdb=" O ALAAG 117 " (cutoff:3.500A) Processing helix chain 'AG' and resid 145 through 150 Processing helix chain 'AG' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPAG 181 " --> pdb=" O PROAG 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPAG 182 " --> pdb=" O THRAG 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEAG 183 " --> pdb=" O PHEAG 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'AG' and resid 178 through 183' Processing helix chain 'AH' and resid 117 through 122 Processing helix chain 'AH' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUAH 149 " --> pdb=" O THRAH 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUAH 150 " --> pdb=" O LEUAH 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'AH' and resid 145 through 150' Processing helix chain 'AH' and resid 178 through 182 Processing helix chain 'AI' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUAI 84 " --> pdb=" O LYSAI 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUAI 85 " --> pdb=" O ASNAI 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'AI' and resid 81 through 85' Processing helix chain 'AI' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEAI 119 " --> pdb=" O ALAAI 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNAI 120 " --> pdb=" O GLUAI 116 " (cutoff:3.500A) Processing helix chain 'AI' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUAI 150 " --> pdb=" O GLYAI 147 " (cutoff:3.500A) Processing helix chain 'AI' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPAI 182 " --> pdb=" O THRAI 179 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 74 through 78 Processing helix chain 'AJ' and resid 114 through 116 No H-bonds generated for 'chain 'AJ' and resid 114 through 116' Processing helix chain 'AJ' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALAJ 121 " --> pdb=" O ALAAJ 117 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 145 through 150 Processing helix chain 'AJ' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPAJ 181 " --> pdb=" O PROAJ 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPAJ 182 " --> pdb=" O THRAJ 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHEAJ 183 " --> pdb=" O PHEAJ 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'AJ' and resid 178 through 183' Processing helix chain 'AK' and resid 117 through 122 Processing helix chain 'AK' and resid 145 through 150 removed outlier: 3.657A pdb=" N LEUAK 149 " --> pdb=" O THRAK 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUAK 150 " --> pdb=" O LEUAK 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'AK' and resid 145 through 150' Processing helix chain 'AK' and resid 178 through 182 Processing helix chain 'AL' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUAL 84 " --> pdb=" O LYSAL 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUAL 85 " --> pdb=" O ASNAL 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'AL' and resid 81 through 85' Processing helix chain 'AL' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEAL 119 " --> pdb=" O ALAAL 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNAL 120 " --> pdb=" O GLUAL 116 " (cutoff:3.500A) Processing helix chain 'AL' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUAL 150 " --> pdb=" O GLYAL 147 " (cutoff:3.500A) Processing helix chain 'AL' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPAL 182 " --> pdb=" O THRAL 179 " (cutoff:3.500A) Processing helix chain 'AM' and resid 74 through 78 Processing helix chain 'AM' and resid 114 through 116 No H-bonds generated for 'chain 'AM' and resid 114 through 116' Processing helix chain 'AM' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALAM 121 " --> pdb=" O ALAAM 117 " (cutoff:3.500A) Processing helix chain 'AM' and resid 145 through 150 Processing helix chain 'AM' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPAM 181 " --> pdb=" O PROAM 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPAM 182 " --> pdb=" O THRAM 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHEAM 183 " --> pdb=" O PHEAM 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'AM' and resid 178 through 183' Processing helix chain 'AN' and resid 117 through 122 Processing helix chain 'AN' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUAN 149 " --> pdb=" O THRAN 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUAN 150 " --> pdb=" O LEUAN 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'AN' and resid 145 through 150' Processing helix chain 'AN' and resid 178 through 182 Processing helix chain 'AO' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUAO 84 " --> pdb=" O LYSAO 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUAO 85 " --> pdb=" O ASNAO 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'AO' and resid 81 through 85' Processing helix chain 'AO' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEAO 119 " --> pdb=" O ALAAO 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNAO 120 " --> pdb=" O GLUAO 116 " (cutoff:3.500A) Processing helix chain 'AO' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUAO 150 " --> pdb=" O GLYAO 147 " (cutoff:3.500A) Processing helix chain 'AO' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPAO 182 " --> pdb=" O THRAO 179 " (cutoff:3.500A) Processing helix chain 'AP' and resid 74 through 78 Processing helix chain 'AP' and resid 114 through 116 No H-bonds generated for 'chain 'AP' and resid 114 through 116' Processing helix chain 'AP' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALAP 121 " --> pdb=" O ALAAP 117 " (cutoff:3.500A) Processing helix chain 'AP' and resid 145 through 150 Processing helix chain 'AP' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPAP 181 " --> pdb=" O PROAP 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPAP 182 " --> pdb=" O THRAP 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHEAP 183 " --> pdb=" O PHEAP 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'AP' and resid 178 through 183' Processing helix chain 'AQ' and resid 117 through 122 Processing helix chain 'AQ' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUAQ 149 " --> pdb=" O THRAQ 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUAQ 150 " --> pdb=" O LEUAQ 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'AQ' and resid 145 through 150' Processing helix chain 'AQ' and resid 178 through 182 Processing helix chain 'AR' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUAR 84 " --> pdb=" O LYSAR 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUAR 85 " --> pdb=" O ASNAR 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'AR' and resid 81 through 85' Processing helix chain 'AR' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEAR 119 " --> pdb=" O ALAAR 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNAR 120 " --> pdb=" O GLUAR 116 " (cutoff:3.500A) Processing helix chain 'AR' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUAR 150 " --> pdb=" O GLYAR 147 " (cutoff:3.500A) Processing helix chain 'AR' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPAR 182 " --> pdb=" O THRAR 179 " (cutoff:3.500A) Processing helix chain 'AS' and resid 74 through 78 Processing helix chain 'AS' and resid 114 through 116 No H-bonds generated for 'chain 'AS' and resid 114 through 116' Processing helix chain 'AS' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALAS 121 " --> pdb=" O ALAAS 117 " (cutoff:3.500A) Processing helix chain 'AS' and resid 145 through 150 Processing helix chain 'AS' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPAS 181 " --> pdb=" O PROAS 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPAS 182 " --> pdb=" O THRAS 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEAS 183 " --> pdb=" O PHEAS 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'AS' and resid 178 through 183' Processing helix chain 'AT' and resid 117 through 122 Processing helix chain 'AT' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUAT 149 " --> pdb=" O THRAT 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUAT 150 " --> pdb=" O LEUAT 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'AT' and resid 145 through 150' Processing helix chain 'AT' and resid 178 through 182 Processing helix chain 'AU' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUAU 84 " --> pdb=" O LYSAU 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUAU 85 " --> pdb=" O ASNAU 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'AU' and resid 81 through 85' Processing helix chain 'AU' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEAU 119 " --> pdb=" O ALAAU 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLNAU 120 " --> pdb=" O GLUAU 116 " (cutoff:3.500A) Processing helix chain 'AU' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUAU 150 " --> pdb=" O GLYAU 147 " (cutoff:3.500A) Processing helix chain 'AU' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPAU 182 " --> pdb=" O THRAU 179 " (cutoff:3.500A) Processing helix chain 'AV' and resid 74 through 78 Processing helix chain 'AV' and resid 114 through 116 No H-bonds generated for 'chain 'AV' and resid 114 through 116' Processing helix chain 'AV' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALAV 121 " --> pdb=" O ALAAV 117 " (cutoff:3.500A) Processing helix chain 'AV' and resid 145 through 150 Processing helix chain 'AV' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPAV 181 " --> pdb=" O PROAV 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPAV 182 " --> pdb=" O THRAV 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEAV 183 " --> pdb=" O PHEAV 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'AV' and resid 178 through 183' Processing helix chain 'AW' and resid 117 through 122 Processing helix chain 'AW' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUAW 149 " --> pdb=" O THRAW 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUAW 150 " --> pdb=" O LEUAW 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'AW' and resid 145 through 150' Processing helix chain 'AW' and resid 178 through 182 Processing helix chain 'AX' and resid 81 through 85 removed outlier: 3.624A pdb=" N GLUAX 84 " --> pdb=" O LYSAX 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUAX 85 " --> pdb=" O ASNAX 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'AX' and resid 81 through 85' Processing helix chain 'AX' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEAX 119 " --> pdb=" O ALAAX 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLNAX 120 " --> pdb=" O GLUAX 116 " (cutoff:3.500A) Processing helix chain 'AX' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUAX 150 " --> pdb=" O GLYAX 147 " (cutoff:3.500A) Processing helix chain 'AX' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPAX 182 " --> pdb=" O THRAX 179 " (cutoff:3.500A) Processing helix chain 'AY' and resid 74 through 78 Processing helix chain 'AY' and resid 114 through 116 No H-bonds generated for 'chain 'AY' and resid 114 through 116' Processing helix chain 'AY' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALAY 121 " --> pdb=" O ALAAY 117 " (cutoff:3.500A) Processing helix chain 'AY' and resid 145 through 150 Processing helix chain 'AY' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPAY 181 " --> pdb=" O PROAY 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPAY 182 " --> pdb=" O THRAY 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEAY 183 " --> pdb=" O PHEAY 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'AY' and resid 178 through 183' Processing helix chain 'AZ' and resid 117 through 122 Processing helix chain 'AZ' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUAZ 149 " --> pdb=" O THRAZ 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUAZ 150 " --> pdb=" O LEUAZ 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'AZ' and resid 145 through 150' Processing helix chain 'AZ' and resid 178 through 182 Processing helix chain 'A0' and resid 81 through 85 removed outlier: 3.622A pdb=" N GLUA0 84 " --> pdb=" O LYSA0 81 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEUA0 85 " --> pdb=" O ASNA0 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'A0' and resid 81 through 85' Processing helix chain 'A0' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEA0 119 " --> pdb=" O ALAA0 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNA0 120 " --> pdb=" O GLUA0 116 " (cutoff:3.500A) Processing helix chain 'A0' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUA0 150 " --> pdb=" O GLYA0 147 " (cutoff:3.500A) Processing helix chain 'A0' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPA0 182 " --> pdb=" O THRA0 179 " (cutoff:3.500A) Processing helix chain 'A1' and resid 74 through 78 Processing helix chain 'A1' and resid 114 through 116 No H-bonds generated for 'chain 'A1' and resid 114 through 116' Processing helix chain 'A1' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALA1 121 " --> pdb=" O ALAA1 117 " (cutoff:3.500A) Processing helix chain 'A1' and resid 145 through 150 Processing helix chain 'A1' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPA1 181 " --> pdb=" O PROA1 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPA1 182 " --> pdb=" O THRA1 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHEA1 183 " --> pdb=" O PHEA1 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'A1' and resid 178 through 183' Processing helix chain 'A2' and resid 117 through 122 Processing helix chain 'A2' and resid 145 through 150 removed outlier: 3.655A pdb=" N LEUA2 149 " --> pdb=" O THRA2 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUA2 150 " --> pdb=" O LEUA2 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'A2' and resid 145 through 150' Processing helix chain 'A2' and resid 178 through 182 Processing helix chain 'A3' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUA3 84 " --> pdb=" O LYSA3 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUA3 85 " --> pdb=" O ASNA3 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'A3' and resid 81 through 85' Processing helix chain 'A3' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEA3 119 " --> pdb=" O ALAA3 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNA3 120 " --> pdb=" O GLUA3 116 " (cutoff:3.500A) Processing helix chain 'A3' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUA3 150 " --> pdb=" O GLYA3 147 " (cutoff:3.500A) Processing helix chain 'A3' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPA3 182 " --> pdb=" O THRA3 179 " (cutoff:3.500A) Processing helix chain 'A4' and resid 74 through 78 Processing helix chain 'A4' and resid 114 through 116 No H-bonds generated for 'chain 'A4' and resid 114 through 116' Processing helix chain 'A4' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALA4 121 " --> pdb=" O ALAA4 117 " (cutoff:3.500A) Processing helix chain 'A4' and resid 145 through 150 Processing helix chain 'A4' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPA4 181 " --> pdb=" O PROA4 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPA4 182 " --> pdb=" O THRA4 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEA4 183 " --> pdb=" O PHEA4 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'A4' and resid 178 through 183' Processing helix chain 'A5' and resid 117 through 122 Processing helix chain 'A5' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUA5 149 " --> pdb=" O THRA5 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUA5 150 " --> pdb=" O LEUA5 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'A5' and resid 145 through 150' Processing helix chain 'A5' and resid 178 through 182 Processing helix chain 'A6' and resid 81 through 85 removed outlier: 3.624A pdb=" N GLUA6 84 " --> pdb=" O LYSA6 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUA6 85 " --> pdb=" O ASNA6 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'A6' and resid 81 through 85' Processing helix chain 'A6' and resid 114 through 120 removed outlier: 4.050A pdb=" N PHEA6 119 " --> pdb=" O ALAA6 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNA6 120 " --> pdb=" O GLUA6 116 " (cutoff:3.500A) Processing helix chain 'A6' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUA6 150 " --> pdb=" O GLYA6 147 " (cutoff:3.500A) Processing helix chain 'A6' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPA6 182 " --> pdb=" O THRA6 179 " (cutoff:3.500A) Processing helix chain 'A7' and resid 74 through 78 Processing helix chain 'A7' and resid 114 through 116 No H-bonds generated for 'chain 'A7' and resid 114 through 116' Processing helix chain 'A7' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALA7 121 " --> pdb=" O ALAA7 117 " (cutoff:3.500A) Processing helix chain 'A7' and resid 145 through 150 Processing helix chain 'A7' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPA7 181 " --> pdb=" O PROA7 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPA7 182 " --> pdb=" O THRA7 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHEA7 183 " --> pdb=" O PHEA7 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'A7' and resid 178 through 183' Processing helix chain 'A8' and resid 117 through 122 Processing helix chain 'A8' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUA8 149 " --> pdb=" O THRA8 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUA8 150 " --> pdb=" O LEUA8 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'A8' and resid 145 through 150' Processing helix chain 'A8' and resid 178 through 182 Processing helix chain 'A9' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUA9 84 " --> pdb=" O LYSA9 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUA9 85 " --> pdb=" O ASNA9 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'A9' and resid 81 through 85' Processing helix chain 'A9' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEA9 119 " --> pdb=" O ALAA9 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNA9 120 " --> pdb=" O GLUA9 116 " (cutoff:3.500A) Processing helix chain 'A9' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUA9 150 " --> pdb=" O GLYA9 147 " (cutoff:3.500A) Processing helix chain 'A9' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPA9 182 " --> pdb=" O THRA9 179 " (cutoff:3.500A) Processing helix chain 'BA' and resid 74 through 78 Processing helix chain 'BA' and resid 114 through 116 No H-bonds generated for 'chain 'BA' and resid 114 through 116' Processing helix chain 'BA' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALBA 121 " --> pdb=" O ALABA 117 " (cutoff:3.500A) Processing helix chain 'BA' and resid 145 through 150 Processing helix chain 'BA' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPBA 181 " --> pdb=" O PROBA 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPBA 182 " --> pdb=" O THRBA 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEBA 183 " --> pdb=" O PHEBA 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'BA' and resid 178 through 183' Processing helix chain 'BB' and resid 117 through 122 Processing helix chain 'BB' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUBB 149 " --> pdb=" O THRBB 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUBB 150 " --> pdb=" O LEUBB 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'BB' and resid 145 through 150' Processing helix chain 'BB' and resid 178 through 182 Processing helix chain 'BC' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUBC 84 " --> pdb=" O LYSBC 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUBC 85 " --> pdb=" O ASNBC 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'BC' and resid 81 through 85' Processing helix chain 'BC' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEBC 119 " --> pdb=" O ALABC 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNBC 120 " --> pdb=" O GLUBC 116 " (cutoff:3.500A) Processing helix chain 'BC' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUBC 150 " --> pdb=" O GLYBC 147 " (cutoff:3.500A) Processing helix chain 'BC' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPBC 182 " --> pdb=" O THRBC 179 " (cutoff:3.500A) Processing helix chain 'BD' and resid 74 through 78 Processing helix chain 'BD' and resid 114 through 116 No H-bonds generated for 'chain 'BD' and resid 114 through 116' Processing helix chain 'BD' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALBD 121 " --> pdb=" O ALABD 117 " (cutoff:3.500A) Processing helix chain 'BD' and resid 145 through 150 Processing helix chain 'BD' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPBD 181 " --> pdb=" O PROBD 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPBD 182 " --> pdb=" O THRBD 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEBD 183 " --> pdb=" O PHEBD 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'BD' and resid 178 through 183' Processing helix chain 'BE' and resid 117 through 122 Processing helix chain 'BE' and resid 145 through 150 removed outlier: 3.657A pdb=" N LEUBE 149 " --> pdb=" O THRBE 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUBE 150 " --> pdb=" O LEUBE 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'BE' and resid 145 through 150' Processing helix chain 'BE' and resid 178 through 182 Processing helix chain 'BF' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUBF 84 " --> pdb=" O LYSBF 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUBF 85 " --> pdb=" O ASNBF 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'BF' and resid 81 through 85' Processing helix chain 'BF' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEBF 119 " --> pdb=" O ALABF 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLNBF 120 " --> pdb=" O GLUBF 116 " (cutoff:3.500A) Processing helix chain 'BF' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUBF 150 " --> pdb=" O GLYBF 147 " (cutoff:3.500A) Processing helix chain 'BF' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPBF 182 " --> pdb=" O THRBF 179 " (cutoff:3.500A) Processing helix chain 'BG' and resid 74 through 78 Processing helix chain 'BG' and resid 114 through 116 No H-bonds generated for 'chain 'BG' and resid 114 through 116' Processing helix chain 'BG' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALBG 121 " --> pdb=" O ALABG 117 " (cutoff:3.500A) Processing helix chain 'BG' and resid 145 through 150 Processing helix chain 'BG' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPBG 181 " --> pdb=" O PROBG 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPBG 182 " --> pdb=" O THRBG 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEBG 183 " --> pdb=" O PHEBG 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'BG' and resid 178 through 183' Processing helix chain 'BH' and resid 117 through 122 Processing helix chain 'BH' and resid 145 through 150 removed outlier: 3.657A pdb=" N LEUBH 149 " --> pdb=" O THRBH 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUBH 150 " --> pdb=" O LEUBH 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'BH' and resid 145 through 150' Processing helix chain 'BH' and resid 178 through 182 Processing helix chain 'BI' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUBI 84 " --> pdb=" O LYSBI 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUBI 85 " --> pdb=" O ASNBI 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'BI' and resid 81 through 85' Processing helix chain 'BI' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEBI 119 " --> pdb=" O ALABI 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNBI 120 " --> pdb=" O GLUBI 116 " (cutoff:3.500A) Processing helix chain 'BI' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUBI 150 " --> pdb=" O GLYBI 147 " (cutoff:3.500A) Processing helix chain 'BI' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPBI 182 " --> pdb=" O THRBI 179 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 74 through 78 Processing helix chain 'BJ' and resid 114 through 116 No H-bonds generated for 'chain 'BJ' and resid 114 through 116' Processing helix chain 'BJ' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALBJ 121 " --> pdb=" O ALABJ 117 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 145 through 150 Processing helix chain 'BJ' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPBJ 181 " --> pdb=" O PROBJ 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPBJ 182 " --> pdb=" O THRBJ 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHEBJ 183 " --> pdb=" O PHEBJ 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'BJ' and resid 178 through 183' Processing helix chain 'BK' and resid 117 through 122 Processing helix chain 'BK' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUBK 149 " --> pdb=" O THRBK 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUBK 150 " --> pdb=" O LEUBK 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'BK' and resid 145 through 150' Processing helix chain 'BK' and resid 178 through 182 Processing helix chain 'BL' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUBL 84 " --> pdb=" O LYSBL 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUBL 85 " --> pdb=" O ASNBL 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'BL' and resid 81 through 85' Processing helix chain 'BL' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEBL 119 " --> pdb=" O ALABL 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNBL 120 " --> pdb=" O GLUBL 116 " (cutoff:3.500A) Processing helix chain 'BL' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUBL 150 " --> pdb=" O GLYBL 147 " (cutoff:3.500A) Processing helix chain 'BL' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPBL 182 " --> pdb=" O THRBL 179 " (cutoff:3.500A) Processing helix chain 'BM' and resid 74 through 78 Processing helix chain 'BM' and resid 114 through 116 No H-bonds generated for 'chain 'BM' and resid 114 through 116' Processing helix chain 'BM' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALBM 121 " --> pdb=" O ALABM 117 " (cutoff:3.500A) Processing helix chain 'BM' and resid 145 through 150 Processing helix chain 'BM' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPBM 181 " --> pdb=" O PROBM 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPBM 182 " --> pdb=" O THRBM 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEBM 183 " --> pdb=" O PHEBM 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'BM' and resid 178 through 183' Processing helix chain 'BN' and resid 117 through 122 Processing helix chain 'BN' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUBN 149 " --> pdb=" O THRBN 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUBN 150 " --> pdb=" O LEUBN 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'BN' and resid 145 through 150' Processing helix chain 'BN' and resid 178 through 182 Processing helix chain 'BO' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUBO 84 " --> pdb=" O LYSBO 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUBO 85 " --> pdb=" O ASNBO 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'BO' and resid 81 through 85' Processing helix chain 'BO' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEBO 119 " --> pdb=" O ALABO 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNBO 120 " --> pdb=" O GLUBO 116 " (cutoff:3.500A) Processing helix chain 'BO' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUBO 150 " --> pdb=" O GLYBO 147 " (cutoff:3.500A) Processing helix chain 'BO' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPBO 182 " --> pdb=" O THRBO 179 " (cutoff:3.500A) Processing helix chain 'BP' and resid 74 through 78 Processing helix chain 'BP' and resid 114 through 116 No H-bonds generated for 'chain 'BP' and resid 114 through 116' Processing helix chain 'BP' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALBP 121 " --> pdb=" O ALABP 117 " (cutoff:3.500A) Processing helix chain 'BP' and resid 145 through 150 Processing helix chain 'BP' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPBP 181 " --> pdb=" O PROBP 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPBP 182 " --> pdb=" O THRBP 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEBP 183 " --> pdb=" O PHEBP 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'BP' and resid 178 through 183' Processing helix chain 'BQ' and resid 117 through 122 Processing helix chain 'BQ' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUBQ 149 " --> pdb=" O THRBQ 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUBQ 150 " --> pdb=" O LEUBQ 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'BQ' and resid 145 through 150' Processing helix chain 'BQ' and resid 178 through 182 Processing helix chain 'BR' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUBR 84 " --> pdb=" O LYSBR 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUBR 85 " --> pdb=" O ASNBR 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'BR' and resid 81 through 85' Processing helix chain 'BR' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEBR 119 " --> pdb=" O ALABR 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNBR 120 " --> pdb=" O GLUBR 116 " (cutoff:3.500A) Processing helix chain 'BR' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUBR 150 " --> pdb=" O GLYBR 147 " (cutoff:3.500A) Processing helix chain 'BR' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPBR 182 " --> pdb=" O THRBR 179 " (cutoff:3.500A) Processing helix chain 'BS' and resid 74 through 78 Processing helix chain 'BS' and resid 114 through 116 No H-bonds generated for 'chain 'BS' and resid 114 through 116' Processing helix chain 'BS' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALBS 121 " --> pdb=" O ALABS 117 " (cutoff:3.500A) Processing helix chain 'BS' and resid 145 through 150 Processing helix chain 'BS' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPBS 181 " --> pdb=" O PROBS 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPBS 182 " --> pdb=" O THRBS 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEBS 183 " --> pdb=" O PHEBS 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'BS' and resid 178 through 183' Processing helix chain 'BT' and resid 117 through 122 Processing helix chain 'BT' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUBT 149 " --> pdb=" O THRBT 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUBT 150 " --> pdb=" O LEUBT 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'BT' and resid 145 through 150' Processing helix chain 'BT' and resid 178 through 182 Processing helix chain 'BU' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUBU 84 " --> pdb=" O LYSBU 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUBU 85 " --> pdb=" O ASNBU 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'BU' and resid 81 through 85' Processing helix chain 'BU' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEBU 119 " --> pdb=" O ALABU 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNBU 120 " --> pdb=" O GLUBU 116 " (cutoff:3.500A) Processing helix chain 'BU' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUBU 150 " --> pdb=" O GLYBU 147 " (cutoff:3.500A) Processing helix chain 'BU' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPBU 182 " --> pdb=" O THRBU 179 " (cutoff:3.500A) Processing helix chain 'BV' and resid 74 through 78 Processing helix chain 'BV' and resid 114 through 116 No H-bonds generated for 'chain 'BV' and resid 114 through 116' Processing helix chain 'BV' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALBV 121 " --> pdb=" O ALABV 117 " (cutoff:3.500A) Processing helix chain 'BV' and resid 145 through 150 Processing helix chain 'BV' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPBV 181 " --> pdb=" O PROBV 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPBV 182 " --> pdb=" O THRBV 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHEBV 183 " --> pdb=" O PHEBV 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'BV' and resid 178 through 183' Processing helix chain 'BW' and resid 117 through 122 Processing helix chain 'BW' and resid 145 through 150 removed outlier: 3.655A pdb=" N LEUBW 149 " --> pdb=" O THRBW 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUBW 150 " --> pdb=" O LEUBW 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'BW' and resid 145 through 150' Processing helix chain 'BW' and resid 178 through 182 Processing helix chain 'BX' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUBX 84 " --> pdb=" O LYSBX 81 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEUBX 85 " --> pdb=" O ASNBX 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'BX' and resid 81 through 85' Processing helix chain 'BX' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEBX 119 " --> pdb=" O ALABX 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNBX 120 " --> pdb=" O GLUBX 116 " (cutoff:3.500A) Processing helix chain 'BX' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUBX 150 " --> pdb=" O GLYBX 147 " (cutoff:3.500A) Processing helix chain 'BX' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPBX 182 " --> pdb=" O THRBX 179 " (cutoff:3.500A) Processing helix chain 'BY' and resid 74 through 78 Processing helix chain 'BY' and resid 114 through 116 No H-bonds generated for 'chain 'BY' and resid 114 through 116' Processing helix chain 'BY' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALBY 121 " --> pdb=" O ALABY 117 " (cutoff:3.500A) Processing helix chain 'BY' and resid 145 through 150 Processing helix chain 'BY' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPBY 181 " --> pdb=" O PROBY 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPBY 182 " --> pdb=" O THRBY 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEBY 183 " --> pdb=" O PHEBY 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'BY' and resid 178 through 183' Processing helix chain 'BZ' and resid 117 through 122 Processing helix chain 'BZ' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUBZ 149 " --> pdb=" O THRBZ 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUBZ 150 " --> pdb=" O LEUBZ 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'BZ' and resid 145 through 150' Processing helix chain 'BZ' and resid 178 through 182 Processing helix chain 'B0' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUB0 84 " --> pdb=" O LYSB0 81 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEUB0 85 " --> pdb=" O ASNB0 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'B0' and resid 81 through 85' Processing helix chain 'B0' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEB0 119 " --> pdb=" O ALAB0 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLNB0 120 " --> pdb=" O GLUB0 116 " (cutoff:3.500A) Processing helix chain 'B0' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUB0 150 " --> pdb=" O GLYB0 147 " (cutoff:3.500A) Processing helix chain 'B0' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPB0 182 " --> pdb=" O THRB0 179 " (cutoff:3.500A) Processing helix chain 'B1' and resid 74 through 78 Processing helix chain 'B1' and resid 114 through 116 No H-bonds generated for 'chain 'B1' and resid 114 through 116' Processing helix chain 'B1' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALB1 121 " --> pdb=" O ALAB1 117 " (cutoff:3.500A) Processing helix chain 'B1' and resid 145 through 150 Processing helix chain 'B1' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPB1 181 " --> pdb=" O PROB1 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPB1 182 " --> pdb=" O THRB1 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEB1 183 " --> pdb=" O PHEB1 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'B1' and resid 178 through 183' Processing helix chain 'B2' and resid 117 through 122 Processing helix chain 'B2' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUB2 149 " --> pdb=" O THRB2 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUB2 150 " --> pdb=" O LEUB2 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'B2' and resid 145 through 150' Processing helix chain 'B2' and resid 178 through 182 Processing helix chain 'B3' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUB3 84 " --> pdb=" O LYSB3 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUB3 85 " --> pdb=" O ASNB3 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'B3' and resid 81 through 85' Processing helix chain 'B3' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEB3 119 " --> pdb=" O ALAB3 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNB3 120 " --> pdb=" O GLUB3 116 " (cutoff:3.500A) Processing helix chain 'B3' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUB3 150 " --> pdb=" O GLYB3 147 " (cutoff:3.500A) Processing helix chain 'B3' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPB3 182 " --> pdb=" O THRB3 179 " (cutoff:3.500A) Processing helix chain 'B4' and resid 74 through 78 Processing helix chain 'B4' and resid 114 through 116 No H-bonds generated for 'chain 'B4' and resid 114 through 116' Processing helix chain 'B4' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALB4 121 " --> pdb=" O ALAB4 117 " (cutoff:3.500A) Processing helix chain 'B4' and resid 145 through 150 Processing helix chain 'B4' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPB4 181 " --> pdb=" O PROB4 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPB4 182 " --> pdb=" O THRB4 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHEB4 183 " --> pdb=" O PHEB4 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'B4' and resid 178 through 183' Processing helix chain 'B5' and resid 117 through 122 Processing helix chain 'B5' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUB5 149 " --> pdb=" O THRB5 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUB5 150 " --> pdb=" O LEUB5 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'B5' and resid 145 through 150' Processing helix chain 'B5' and resid 178 through 182 Processing helix chain 'B6' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUB6 84 " --> pdb=" O LYSB6 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUB6 85 " --> pdb=" O ASNB6 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'B6' and resid 81 through 85' Processing helix chain 'B6' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEB6 119 " --> pdb=" O ALAB6 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNB6 120 " --> pdb=" O GLUB6 116 " (cutoff:3.500A) Processing helix chain 'B6' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUB6 150 " --> pdb=" O GLYB6 147 " (cutoff:3.500A) Processing helix chain 'B6' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPB6 182 " --> pdb=" O THRB6 179 " (cutoff:3.500A) Processing helix chain 'B7' and resid 74 through 78 Processing helix chain 'B7' and resid 114 through 116 No H-bonds generated for 'chain 'B7' and resid 114 through 116' Processing helix chain 'B7' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALB7 121 " --> pdb=" O ALAB7 117 " (cutoff:3.500A) Processing helix chain 'B7' and resid 145 through 150 Processing helix chain 'B7' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPB7 181 " --> pdb=" O PROB7 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPB7 182 " --> pdb=" O THRB7 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHEB7 183 " --> pdb=" O PHEB7 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'B7' and resid 178 through 183' Processing helix chain 'B8' and resid 117 through 122 Processing helix chain 'B8' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUB8 149 " --> pdb=" O THRB8 145 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LEUB8 150 " --> pdb=" O LEUB8 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'B8' and resid 145 through 150' Processing helix chain 'B8' and resid 178 through 182 Processing helix chain 'B9' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUB9 84 " --> pdb=" O LYSB9 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUB9 85 " --> pdb=" O ASNB9 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'B9' and resid 81 through 85' Processing helix chain 'B9' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEB9 119 " --> pdb=" O ALAB9 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNB9 120 " --> pdb=" O GLUB9 116 " (cutoff:3.500A) Processing helix chain 'B9' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUB9 150 " --> pdb=" O GLYB9 147 " (cutoff:3.500A) Processing helix chain 'B9' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPB9 182 " --> pdb=" O THRB9 179 " (cutoff:3.500A) Processing helix chain 'CA' and resid 74 through 78 Processing helix chain 'CA' and resid 114 through 116 No H-bonds generated for 'chain 'CA' and resid 114 through 116' Processing helix chain 'CA' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALCA 121 " --> pdb=" O ALACA 117 " (cutoff:3.500A) Processing helix chain 'CA' and resid 145 through 150 Processing helix chain 'CA' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPCA 181 " --> pdb=" O PROCA 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPCA 182 " --> pdb=" O THRCA 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHECA 183 " --> pdb=" O PHECA 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'CA' and resid 178 through 183' Processing helix chain 'CB' and resid 117 through 122 Processing helix chain 'CB' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUCB 149 " --> pdb=" O THRCB 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUCB 150 " --> pdb=" O LEUCB 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'CB' and resid 145 through 150' Processing helix chain 'CB' and resid 178 through 182 Processing helix chain 'CC' and resid 81 through 85 removed outlier: 3.624A pdb=" N GLUCC 84 " --> pdb=" O LYSCC 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUCC 85 " --> pdb=" O ASNCC 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'CC' and resid 81 through 85' Processing helix chain 'CC' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHECC 119 " --> pdb=" O ALACC 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLNCC 120 " --> pdb=" O GLUCC 116 " (cutoff:3.500A) Processing helix chain 'CC' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUCC 150 " --> pdb=" O GLYCC 147 " (cutoff:3.500A) Processing helix chain 'CC' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPCC 182 " --> pdb=" O THRCC 179 " (cutoff:3.500A) Processing helix chain 'CD' and resid 74 through 78 Processing helix chain 'CD' and resid 114 through 116 No H-bonds generated for 'chain 'CD' and resid 114 through 116' Processing helix chain 'CD' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALCD 121 " --> pdb=" O ALACD 117 " (cutoff:3.500A) Processing helix chain 'CD' and resid 145 through 150 Processing helix chain 'CD' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPCD 181 " --> pdb=" O PROCD 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPCD 182 " --> pdb=" O THRCD 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHECD 183 " --> pdb=" O PHECD 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'CD' and resid 178 through 183' Processing helix chain 'CE' and resid 117 through 122 Processing helix chain 'CE' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUCE 149 " --> pdb=" O THRCE 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUCE 150 " --> pdb=" O LEUCE 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'CE' and resid 145 through 150' Processing helix chain 'CE' and resid 178 through 182 Processing helix chain 'CF' and resid 81 through 85 removed outlier: 3.622A pdb=" N GLUCF 84 " --> pdb=" O LYSCF 81 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEUCF 85 " --> pdb=" O ASNCF 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'CF' and resid 81 through 85' Processing helix chain 'CF' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHECF 119 " --> pdb=" O ALACF 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNCF 120 " --> pdb=" O GLUCF 116 " (cutoff:3.500A) Processing helix chain 'CF' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUCF 150 " --> pdb=" O GLYCF 147 " (cutoff:3.500A) Processing helix chain 'CF' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPCF 182 " --> pdb=" O THRCF 179 " (cutoff:3.500A) Processing helix chain 'CG' and resid 74 through 78 Processing helix chain 'CG' and resid 114 through 116 No H-bonds generated for 'chain 'CG' and resid 114 through 116' Processing helix chain 'CG' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALCG 121 " --> pdb=" O ALACG 117 " (cutoff:3.500A) Processing helix chain 'CG' and resid 145 through 150 Processing helix chain 'CG' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPCG 181 " --> pdb=" O PROCG 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPCG 182 " --> pdb=" O THRCG 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHECG 183 " --> pdb=" O PHECG 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'CG' and resid 178 through 183' Processing helix chain 'CH' and resid 117 through 122 Processing helix chain 'CH' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUCH 149 " --> pdb=" O THRCH 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUCH 150 " --> pdb=" O LEUCH 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'CH' and resid 145 through 150' Processing helix chain 'CH' and resid 178 through 182 Processing helix chain 'CI' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUCI 84 " --> pdb=" O LYSCI 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUCI 85 " --> pdb=" O ASNCI 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'CI' and resid 81 through 85' Processing helix chain 'CI' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHECI 119 " --> pdb=" O ALACI 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNCI 120 " --> pdb=" O GLUCI 116 " (cutoff:3.500A) Processing helix chain 'CI' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUCI 150 " --> pdb=" O GLYCI 147 " (cutoff:3.500A) Processing helix chain 'CI' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPCI 182 " --> pdb=" O THRCI 179 " (cutoff:3.500A) Processing helix chain 'CJ' and resid 74 through 78 Processing helix chain 'CJ' and resid 114 through 116 No H-bonds generated for 'chain 'CJ' and resid 114 through 116' Processing helix chain 'CJ' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALCJ 121 " --> pdb=" O ALACJ 117 " (cutoff:3.500A) Processing helix chain 'CJ' and resid 145 through 150 Processing helix chain 'CJ' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPCJ 181 " --> pdb=" O PROCJ 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPCJ 182 " --> pdb=" O THRCJ 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHECJ 183 " --> pdb=" O PHECJ 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'CJ' and resid 178 through 183' Processing helix chain 'CK' and resid 117 through 122 Processing helix chain 'CK' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUCK 149 " --> pdb=" O THRCK 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUCK 150 " --> pdb=" O LEUCK 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'CK' and resid 145 through 150' Processing helix chain 'CK' and resid 178 through 182 Processing helix chain 'CL' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUCL 84 " --> pdb=" O LYSCL 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUCL 85 " --> pdb=" O ASNCL 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'CL' and resid 81 through 85' Processing helix chain 'CL' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHECL 119 " --> pdb=" O ALACL 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNCL 120 " --> pdb=" O GLUCL 116 " (cutoff:3.500A) Processing helix chain 'CL' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUCL 150 " --> pdb=" O GLYCL 147 " (cutoff:3.500A) Processing helix chain 'CL' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPCL 182 " --> pdb=" O THRCL 179 " (cutoff:3.500A) Processing helix chain 'CM' and resid 74 through 78 Processing helix chain 'CM' and resid 114 through 116 No H-bonds generated for 'chain 'CM' and resid 114 through 116' Processing helix chain 'CM' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALCM 121 " --> pdb=" O ALACM 117 " (cutoff:3.500A) Processing helix chain 'CM' and resid 145 through 150 Processing helix chain 'CM' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPCM 181 " --> pdb=" O PROCM 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPCM 182 " --> pdb=" O THRCM 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHECM 183 " --> pdb=" O PHECM 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'CM' and resid 178 through 183' Processing helix chain 'CN' and resid 117 through 122 Processing helix chain 'CN' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUCN 149 " --> pdb=" O THRCN 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUCN 150 " --> pdb=" O LEUCN 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'CN' and resid 145 through 150' Processing helix chain 'CN' and resid 178 through 182 Processing helix chain 'CO' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUCO 84 " --> pdb=" O LYSCO 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUCO 85 " --> pdb=" O ASNCO 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'CO' and resid 81 through 85' Processing helix chain 'CO' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHECO 119 " --> pdb=" O ALACO 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLNCO 120 " --> pdb=" O GLUCO 116 " (cutoff:3.500A) Processing helix chain 'CO' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUCO 150 " --> pdb=" O GLYCO 147 " (cutoff:3.500A) Processing helix chain 'CO' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPCO 182 " --> pdb=" O THRCO 179 " (cutoff:3.500A) Processing helix chain 'CP' and resid 74 through 78 Processing helix chain 'CP' and resid 114 through 116 No H-bonds generated for 'chain 'CP' and resid 114 through 116' Processing helix chain 'CP' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALCP 121 " --> pdb=" O ALACP 117 " (cutoff:3.500A) Processing helix chain 'CP' and resid 145 through 150 Processing helix chain 'CP' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPCP 181 " --> pdb=" O PROCP 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPCP 182 " --> pdb=" O THRCP 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHECP 183 " --> pdb=" O PHECP 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'CP' and resid 178 through 183' Processing helix chain 'CQ' and resid 117 through 122 Processing helix chain 'CQ' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUCQ 149 " --> pdb=" O THRCQ 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUCQ 150 " --> pdb=" O LEUCQ 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'CQ' and resid 145 through 150' Processing helix chain 'CQ' and resid 178 through 182 Processing helix chain 'CR' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUCR 84 " --> pdb=" O LYSCR 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUCR 85 " --> pdb=" O ASNCR 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'CR' and resid 81 through 85' Processing helix chain 'CR' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHECR 119 " --> pdb=" O ALACR 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNCR 120 " --> pdb=" O GLUCR 116 " (cutoff:3.500A) Processing helix chain 'CR' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUCR 150 " --> pdb=" O GLYCR 147 " (cutoff:3.500A) Processing helix chain 'CR' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPCR 182 " --> pdb=" O THRCR 179 " (cutoff:3.500A) Processing helix chain 'CS' and resid 74 through 78 Processing helix chain 'CS' and resid 114 through 116 No H-bonds generated for 'chain 'CS' and resid 114 through 116' Processing helix chain 'CS' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALCS 121 " --> pdb=" O ALACS 117 " (cutoff:3.500A) Processing helix chain 'CS' and resid 145 through 150 Processing helix chain 'CS' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPCS 181 " --> pdb=" O PROCS 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPCS 182 " --> pdb=" O THRCS 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHECS 183 " --> pdb=" O PHECS 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'CS' and resid 178 through 183' Processing helix chain 'CT' and resid 117 through 122 Processing helix chain 'CT' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUCT 149 " --> pdb=" O THRCT 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUCT 150 " --> pdb=" O LEUCT 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'CT' and resid 145 through 150' Processing helix chain 'CT' and resid 178 through 182 Processing helix chain 'CU' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUCU 84 " --> pdb=" O LYSCU 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUCU 85 " --> pdb=" O ASNCU 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'CU' and resid 81 through 85' Processing helix chain 'CU' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHECU 119 " --> pdb=" O ALACU 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNCU 120 " --> pdb=" O GLUCU 116 " (cutoff:3.500A) Processing helix chain 'CU' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUCU 150 " --> pdb=" O GLYCU 147 " (cutoff:3.500A) Processing helix chain 'CU' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPCU 182 " --> pdb=" O THRCU 179 " (cutoff:3.500A) Processing helix chain 'CV' and resid 74 through 78 Processing helix chain 'CV' and resid 114 through 116 No H-bonds generated for 'chain 'CV' and resid 114 through 116' Processing helix chain 'CV' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALCV 121 " --> pdb=" O ALACV 117 " (cutoff:3.500A) Processing helix chain 'CV' and resid 145 through 150 Processing helix chain 'CV' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPCV 181 " --> pdb=" O PROCV 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPCV 182 " --> pdb=" O THRCV 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHECV 183 " --> pdb=" O PHECV 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'CV' and resid 178 through 183' Processing helix chain 'CW' and resid 117 through 122 Processing helix chain 'CW' and resid 145 through 150 removed outlier: 3.657A pdb=" N LEUCW 149 " --> pdb=" O THRCW 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUCW 150 " --> pdb=" O LEUCW 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'CW' and resid 145 through 150' Processing helix chain 'CW' and resid 178 through 182 Processing helix chain 'CX' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUCX 84 " --> pdb=" O LYSCX 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUCX 85 " --> pdb=" O ASNCX 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'CX' and resid 81 through 85' Processing helix chain 'CX' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHECX 119 " --> pdb=" O ALACX 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLNCX 120 " --> pdb=" O GLUCX 116 " (cutoff:3.500A) Processing helix chain 'CX' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUCX 150 " --> pdb=" O GLYCX 147 " (cutoff:3.500A) Processing helix chain 'CX' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPCX 182 " --> pdb=" O THRCX 179 " (cutoff:3.500A) Processing helix chain 'CY' and resid 74 through 78 Processing helix chain 'CY' and resid 114 through 116 No H-bonds generated for 'chain 'CY' and resid 114 through 116' Processing helix chain 'CY' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALCY 121 " --> pdb=" O ALACY 117 " (cutoff:3.500A) Processing helix chain 'CY' and resid 145 through 150 Processing helix chain 'CY' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPCY 181 " --> pdb=" O PROCY 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPCY 182 " --> pdb=" O THRCY 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHECY 183 " --> pdb=" O PHECY 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'CY' and resid 178 through 183' Processing helix chain 'CZ' and resid 117 through 122 Processing helix chain 'CZ' and resid 145 through 150 removed outlier: 3.655A pdb=" N LEUCZ 149 " --> pdb=" O THRCZ 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUCZ 150 " --> pdb=" O LEUCZ 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'CZ' and resid 145 through 150' Processing helix chain 'CZ' and resid 178 through 182 Processing helix chain 'C0' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUC0 84 " --> pdb=" O LYSC0 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUC0 85 " --> pdb=" O ASNC0 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'C0' and resid 81 through 85' Processing helix chain 'C0' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEC0 119 " --> pdb=" O ALAC0 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNC0 120 " --> pdb=" O GLUC0 116 " (cutoff:3.500A) Processing helix chain 'C0' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUC0 150 " --> pdb=" O GLYC0 147 " (cutoff:3.500A) Processing helix chain 'C0' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPC0 182 " --> pdb=" O THRC0 179 " (cutoff:3.500A) Processing helix chain 'C1' and resid 74 through 78 Processing helix chain 'C1' and resid 114 through 116 No H-bonds generated for 'chain 'C1' and resid 114 through 116' Processing helix chain 'C1' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALC1 121 " --> pdb=" O ALAC1 117 " (cutoff:3.500A) Processing helix chain 'C1' and resid 145 through 150 Processing helix chain 'C1' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPC1 181 " --> pdb=" O PROC1 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPC1 182 " --> pdb=" O THRC1 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEC1 183 " --> pdb=" O PHEC1 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'C1' and resid 178 through 183' Processing helix chain 'C2' and resid 117 through 122 Processing helix chain 'C2' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUC2 149 " --> pdb=" O THRC2 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUC2 150 " --> pdb=" O LEUC2 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'C2' and resid 145 through 150' Processing helix chain 'C2' and resid 178 through 182 Processing helix chain 'C3' and resid 81 through 85 removed outlier: 3.624A pdb=" N GLUC3 84 " --> pdb=" O LYSC3 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUC3 85 " --> pdb=" O ASNC3 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'C3' and resid 81 through 85' Processing helix chain 'C3' and resid 114 through 120 removed outlier: 4.050A pdb=" N PHEC3 119 " --> pdb=" O ALAC3 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNC3 120 " --> pdb=" O GLUC3 116 " (cutoff:3.500A) Processing helix chain 'C3' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUC3 150 " --> pdb=" O GLYC3 147 " (cutoff:3.500A) Processing helix chain 'C3' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPC3 182 " --> pdb=" O THRC3 179 " (cutoff:3.500A) Processing helix chain 'C4' and resid 74 through 78 Processing helix chain 'C4' and resid 114 through 116 No H-bonds generated for 'chain 'C4' and resid 114 through 116' Processing helix chain 'C4' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALC4 121 " --> pdb=" O ALAC4 117 " (cutoff:3.500A) Processing helix chain 'C4' and resid 145 through 150 Processing helix chain 'C4' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPC4 181 " --> pdb=" O PROC4 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPC4 182 " --> pdb=" O THRC4 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHEC4 183 " --> pdb=" O PHEC4 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'C4' and resid 178 through 183' Processing helix chain 'C5' and resid 117 through 122 Processing helix chain 'C5' and resid 145 through 150 removed outlier: 3.655A pdb=" N LEUC5 149 " --> pdb=" O THRC5 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUC5 150 " --> pdb=" O LEUC5 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'C5' and resid 145 through 150' Processing helix chain 'C5' and resid 178 through 182 Processing helix chain 'C6' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUC6 84 " --> pdb=" O LYSC6 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUC6 85 " --> pdb=" O ASNC6 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'C6' and resid 81 through 85' Processing helix chain 'C6' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEC6 119 " --> pdb=" O ALAC6 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNC6 120 " --> pdb=" O GLUC6 116 " (cutoff:3.500A) Processing helix chain 'C6' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUC6 150 " --> pdb=" O GLYC6 147 " (cutoff:3.500A) Processing helix chain 'C6' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPC6 182 " --> pdb=" O THRC6 179 " (cutoff:3.500A) Processing helix chain 'C7' and resid 74 through 78 Processing helix chain 'C7' and resid 114 through 116 No H-bonds generated for 'chain 'C7' and resid 114 through 116' Processing helix chain 'C7' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALC7 121 " --> pdb=" O ALAC7 117 " (cutoff:3.500A) Processing helix chain 'C7' and resid 145 through 150 Processing helix chain 'C7' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPC7 181 " --> pdb=" O PROC7 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPC7 182 " --> pdb=" O THRC7 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEC7 183 " --> pdb=" O PHEC7 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'C7' and resid 178 through 183' Processing helix chain 'C8' and resid 117 through 122 Processing helix chain 'C8' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUC8 149 " --> pdb=" O THRC8 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUC8 150 " --> pdb=" O LEUC8 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'C8' and resid 145 through 150' Processing helix chain 'C8' and resid 178 through 182 Processing helix chain 'C9' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUC9 84 " --> pdb=" O LYSC9 81 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUC9 85 " --> pdb=" O ASNC9 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'C9' and resid 81 through 85' Processing helix chain 'C9' and resid 114 through 120 removed outlier: 4.048A pdb=" N PHEC9 119 " --> pdb=" O ALAC9 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNC9 120 " --> pdb=" O GLUC9 116 " (cutoff:3.500A) Processing helix chain 'C9' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUC9 150 " --> pdb=" O GLYC9 147 " (cutoff:3.500A) Processing helix chain 'C9' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPC9 182 " --> pdb=" O THRC9 179 " (cutoff:3.500A) Processing helix chain 'DA' and resid 74 through 78 Processing helix chain 'DA' and resid 114 through 116 No H-bonds generated for 'chain 'DA' and resid 114 through 116' Processing helix chain 'DA' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALDA 121 " --> pdb=" O ALADA 117 " (cutoff:3.500A) Processing helix chain 'DA' and resid 145 through 150 Processing helix chain 'DA' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPDA 181 " --> pdb=" O PRODA 178 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASPDA 182 " --> pdb=" O THRDA 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEDA 183 " --> pdb=" O PHEDA 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'DA' and resid 178 through 183' Processing helix chain 'DB' and resid 117 through 122 Processing helix chain 'DB' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUDB 149 " --> pdb=" O THRDB 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUDB 150 " --> pdb=" O LEUDB 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'DB' and resid 145 through 150' Processing helix chain 'DB' and resid 178 through 182 Processing helix chain 'DC' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUDC 84 " --> pdb=" O LYSDC 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUDC 85 " --> pdb=" O ASNDC 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'DC' and resid 81 through 85' Processing helix chain 'DC' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEDC 119 " --> pdb=" O ALADC 115 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLNDC 120 " --> pdb=" O GLUDC 116 " (cutoff:3.500A) Processing helix chain 'DC' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUDC 150 " --> pdb=" O GLYDC 147 " (cutoff:3.500A) Processing helix chain 'DC' and resid 178 through 182 removed outlier: 3.859A pdb=" N ASPDC 182 " --> pdb=" O THRDC 179 " (cutoff:3.500A) Processing helix chain 'DD' and resid 74 through 78 Processing helix chain 'DD' and resid 114 through 116 No H-bonds generated for 'chain 'DD' and resid 114 through 116' Processing helix chain 'DD' and resid 117 through 122 removed outlier: 3.678A pdb=" N VALDD 121 " --> pdb=" O ALADD 117 " (cutoff:3.500A) Processing helix chain 'DD' and resid 145 through 150 Processing helix chain 'DD' and resid 178 through 183 removed outlier: 4.046A pdb=" N ASPDD 181 " --> pdb=" O PRODD 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPDD 182 " --> pdb=" O THRDD 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEDD 183 " --> pdb=" O PHEDD 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'DD' and resid 178 through 183' Processing helix chain 'DE' and resid 117 through 122 Processing helix chain 'DE' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUDE 149 " --> pdb=" O THRDE 145 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUDE 150 " --> pdb=" O LEUDE 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'DE' and resid 145 through 150' Processing helix chain 'DE' and resid 178 through 182 Processing helix chain 'DF' and resid 81 through 85 removed outlier: 3.623A pdb=" N GLUDF 84 " --> pdb=" O LYSDF 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUDF 85 " --> pdb=" O ASNDF 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'DF' and resid 81 through 85' Processing helix chain 'DF' and resid 114 through 120 removed outlier: 4.048A pdb=" N PHEDF 119 " --> pdb=" O ALADF 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLNDF 120 " --> pdb=" O GLUDF 116 " (cutoff:3.500A) Processing helix chain 'DF' and resid 145 through 151 removed outlier: 3.538A pdb=" N LEUDF 150 " --> pdb=" O GLYDF 147 " (cutoff:3.500A) Processing helix chain 'DF' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPDF 182 " --> pdb=" O THRDF 179 " (cutoff:3.500A) Processing helix chain 'DG' and resid 74 through 78 Processing helix chain 'DG' and resid 114 through 116 No H-bonds generated for 'chain 'DG' and resid 114 through 116' Processing helix chain 'DG' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALDG 121 " --> pdb=" O ALADG 117 " (cutoff:3.500A) Processing helix chain 'DG' and resid 145 through 150 Processing helix chain 'DG' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPDG 181 " --> pdb=" O PRODG 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPDG 182 " --> pdb=" O THRDG 179 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N PHEDG 183 " --> pdb=" O PHEDG 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'DG' and resid 178 through 183' Processing helix chain 'DH' and resid 117 through 122 Processing helix chain 'DH' and resid 145 through 150 removed outlier: 3.656A pdb=" N LEUDH 149 " --> pdb=" O THRDH 145 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUDH 150 " --> pdb=" O LEUDH 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'DH' and resid 145 through 150' Processing helix chain 'DH' and resid 178 through 182 Processing helix chain 'DI' and resid 81 through 85 removed outlier: 3.624A pdb=" N GLUDI 84 " --> pdb=" O LYSDI 81 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUDI 85 " --> pdb=" O ASNDI 82 " (cutoff:3.500A) No H-bonds generated for 'chain 'DI' and resid 81 through 85' Processing helix chain 'DI' and resid 114 through 120 removed outlier: 4.049A pdb=" N PHEDI 119 " --> pdb=" O ALADI 115 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N GLNDI 120 " --> pdb=" O GLUDI 116 " (cutoff:3.500A) Processing helix chain 'DI' and resid 145 through 151 removed outlier: 3.537A pdb=" N LEUDI 150 " --> pdb=" O GLYDI 147 " (cutoff:3.500A) Processing helix chain 'DI' and resid 178 through 182 removed outlier: 3.860A pdb=" N ASPDI 182 " --> pdb=" O THRDI 179 " (cutoff:3.500A) Processing helix chain 'DJ' and resid 74 through 78 Processing helix chain 'DJ' and resid 114 through 116 No H-bonds generated for 'chain 'DJ' and resid 114 through 116' Processing helix chain 'DJ' and resid 117 through 122 removed outlier: 3.677A pdb=" N VALDJ 121 " --> pdb=" O ALADJ 117 " (cutoff:3.500A) Processing helix chain 'DJ' and resid 145 through 150 Processing helix chain 'DJ' and resid 178 through 183 removed outlier: 4.045A pdb=" N ASPDJ 181 " --> pdb=" O PRODJ 178 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ASPDJ 182 " --> pdb=" O THRDJ 179 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHEDJ 183 " --> pdb=" O PHEDJ 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'DJ' and resid 178 through 183' Processing sheet with id= 1, first strand: chain 'A' and resid 52 through 53 removed outlier: 3.874A pdb=" N VAL A 169 " --> pdb=" O ALA A 56 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 52 through 53 removed outlier: 3.524A pdb=" N VAL A 168 " --> pdb=" O GLY A 95 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA A 109 " --> pdb=" O GLN A 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS A 107 " --> pdb=" O TYR A 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA A 106 " --> pdb=" O ALA A 126 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'B' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL B 168 " --> pdb=" O GLY B 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY B 95 " --> pdb=" O VAL B 168 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'B' and resid 68 through 70 Processing sheet with id= 6, first strand: chain 'C' and resid 49 through 54 removed outlier: 3.856A pdb=" N VAL C 173 " --> pdb=" O SER C 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG C 89 " --> pdb=" O GLU C 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VAL C 176 " --> pdb=" O VAL C 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL C 87 " --> pdb=" O VAL C 176 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'C' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY C 95 " --> pdb=" O VAL C 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VAL C 168 " --> pdb=" O GLY C 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 7 Processing sheet with id= 8, first strand: chain 'C' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYS C 107 " --> pdb=" O TYR C 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA C 109 " --> pdb=" O GLN C 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN C 153 " --> pdb=" O ALA C 109 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'D' and resid 52 through 53 removed outlier: 3.874A pdb=" N VAL D 169 " --> pdb=" O ALA D 56 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'D' and resid 52 through 53 removed outlier: 3.524A pdb=" N VAL D 168 " --> pdb=" O GLY D 95 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'D' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA D 109 " --> pdb=" O GLN D 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS D 107 " --> pdb=" O TYR D 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA D 106 " --> pdb=" O ALA D 126 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'E' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL E 168 " --> pdb=" O GLY E 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY E 95 " --> pdb=" O VAL E 168 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'E' and resid 68 through 70 Processing sheet with id= 14, first strand: chain 'F' and resid 49 through 54 removed outlier: 3.857A pdb=" N VAL F 173 " --> pdb=" O SER F 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG F 89 " --> pdb=" O GLU F 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VAL F 176 " --> pdb=" O VAL F 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL F 87 " --> pdb=" O VAL F 176 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'F' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY F 95 " --> pdb=" O VAL F 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VAL F 168 " --> pdb=" O GLY F 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 15 Processing sheet with id= 16, first strand: chain 'F' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYS F 107 " --> pdb=" O TYR F 155 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALA F 109 " --> pdb=" O GLN F 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN F 153 " --> pdb=" O ALA F 109 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'G' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL G 169 " --> pdb=" O ALA G 56 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'G' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL G 168 " --> pdb=" O GLY G 95 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'G' and resid 69 through 70 removed outlier: 3.532A pdb=" N ALA G 109 " --> pdb=" O GLN G 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS G 107 " --> pdb=" O TYR G 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALA G 106 " --> pdb=" O ALA G 126 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'H' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL H 168 " --> pdb=" O GLY H 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY H 95 " --> pdb=" O VAL H 168 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'H' and resid 68 through 70 Processing sheet with id= 22, first strand: chain 'I' and resid 49 through 54 removed outlier: 3.857A pdb=" N VAL I 173 " --> pdb=" O SER I 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG I 89 " --> pdb=" O GLU I 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VAL I 176 " --> pdb=" O VAL I 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VAL I 87 " --> pdb=" O VAL I 176 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'I' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY I 95 " --> pdb=" O VAL I 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VAL I 168 " --> pdb=" O GLY I 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 23 Processing sheet with id= 24, first strand: chain 'I' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYS I 107 " --> pdb=" O TYR I 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA I 109 " --> pdb=" O GLN I 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLN I 153 " --> pdb=" O ALA I 109 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'J' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL J 169 " --> pdb=" O ALA J 56 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'J' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL J 168 " --> pdb=" O GLY J 95 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'J' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA J 109 " --> pdb=" O GLN J 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYS J 107 " --> pdb=" O TYR J 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA J 106 " --> pdb=" O ALA J 126 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'K' and resid 49 through 52 removed outlier: 4.022A pdb=" N VAL K 168 " --> pdb=" O GLY K 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY K 95 " --> pdb=" O VAL K 168 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'K' and resid 68 through 70 Processing sheet with id= 30, first strand: chain 'L' and resid 49 through 54 removed outlier: 3.856A pdb=" N VAL L 173 " --> pdb=" O SER L 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG L 89 " --> pdb=" O GLU L 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VAL L 176 " --> pdb=" O VAL L 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL L 87 " --> pdb=" O VAL L 176 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'L' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY L 95 " --> pdb=" O VAL L 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VAL L 168 " --> pdb=" O GLY L 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 31 Processing sheet with id= 32, first strand: chain 'L' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYS L 107 " --> pdb=" O TYR L 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA L 109 " --> pdb=" O GLN L 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN L 153 " --> pdb=" O ALA L 109 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'M' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL M 169 " --> pdb=" O ALA M 56 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'M' and resid 52 through 53 removed outlier: 3.524A pdb=" N VAL M 168 " --> pdb=" O GLY M 95 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'M' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA M 109 " --> pdb=" O GLN M 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYS M 107 " --> pdb=" O TYR M 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA M 106 " --> pdb=" O ALA M 126 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'N' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL N 168 " --> pdb=" O GLY N 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY N 95 " --> pdb=" O VAL N 168 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'N' and resid 68 through 70 Processing sheet with id= 38, first strand: chain 'O' and resid 49 through 54 removed outlier: 3.856A pdb=" N VAL O 173 " --> pdb=" O SER O 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG O 89 " --> pdb=" O GLU O 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VAL O 176 " --> pdb=" O VAL O 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VAL O 87 " --> pdb=" O VAL O 176 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'O' and resid 94 through 96 removed outlier: 3.904A pdb=" N GLY O 95 " --> pdb=" O VAL O 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VAL O 168 " --> pdb=" O GLY O 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 39 Processing sheet with id= 40, first strand: chain 'O' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYS O 107 " --> pdb=" O TYR O 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA O 109 " --> pdb=" O GLN O 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLN O 153 " --> pdb=" O ALA O 109 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'P' and resid 52 through 53 removed outlier: 3.874A pdb=" N VAL P 169 " --> pdb=" O ALA P 56 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'P' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL P 168 " --> pdb=" O GLY P 95 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'P' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA P 109 " --> pdb=" O GLN P 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS P 107 " --> pdb=" O TYR P 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALA P 106 " --> pdb=" O ALA P 126 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'Q' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL Q 168 " --> pdb=" O GLY Q 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY Q 95 " --> pdb=" O VAL Q 168 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'Q' and resid 68 through 70 Processing sheet with id= 46, first strand: chain 'R' and resid 49 through 54 removed outlier: 3.857A pdb=" N VAL R 173 " --> pdb=" O SER R 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARG R 89 " --> pdb=" O GLU R 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VAL R 176 " --> pdb=" O VAL R 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL R 87 " --> pdb=" O VAL R 176 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'R' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY R 95 " --> pdb=" O VAL R 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VAL R 168 " --> pdb=" O GLY R 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 47 Processing sheet with id= 48, first strand: chain 'R' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYS R 107 " --> pdb=" O TYR R 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA R 109 " --> pdb=" O GLN R 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN R 153 " --> pdb=" O ALA R 109 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'S' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL S 169 " --> pdb=" O ALA S 56 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'S' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL S 168 " --> pdb=" O GLY S 95 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'S' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA S 109 " --> pdb=" O GLN S 153 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N CYS S 107 " --> pdb=" O TYR S 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALA S 106 " --> pdb=" O ALA S 126 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'T' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL T 168 " --> pdb=" O GLY T 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY T 95 " --> pdb=" O VAL T 168 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'T' and resid 68 through 70 Processing sheet with id= 54, first strand: chain 'U' and resid 49 through 54 removed outlier: 3.856A pdb=" N VAL U 173 " --> pdb=" O SER U 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARG U 89 " --> pdb=" O GLU U 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VAL U 176 " --> pdb=" O VAL U 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL U 87 " --> pdb=" O VAL U 176 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'U' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY U 95 " --> pdb=" O VAL U 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VAL U 168 " --> pdb=" O GLY U 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 55 Processing sheet with id= 56, first strand: chain 'U' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYS U 107 " --> pdb=" O TYR U 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA U 109 " --> pdb=" O GLN U 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLN U 153 " --> pdb=" O ALA U 109 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'V' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL V 169 " --> pdb=" O ALA V 56 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'V' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL V 168 " --> pdb=" O GLY V 95 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'V' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA V 109 " --> pdb=" O GLN V 153 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N CYS V 107 " --> pdb=" O TYR V 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA V 106 " --> pdb=" O ALA V 126 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'W' and resid 49 through 52 removed outlier: 4.022A pdb=" N VAL W 168 " --> pdb=" O GLY W 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY W 95 " --> pdb=" O VAL W 168 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'W' and resid 68 through 70 Processing sheet with id= 62, first strand: chain 'X' and resid 49 through 54 removed outlier: 3.856A pdb=" N VAL X 173 " --> pdb=" O SER X 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARG X 89 " --> pdb=" O GLU X 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VAL X 176 " --> pdb=" O VAL X 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL X 87 " --> pdb=" O VAL X 176 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'X' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY X 95 " --> pdb=" O VAL X 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VAL X 168 " --> pdb=" O GLY X 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 63 Processing sheet with id= 64, first strand: chain 'X' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYS X 107 " --> pdb=" O TYR X 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA X 109 " --> pdb=" O GLN X 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLN X 153 " --> pdb=" O ALA X 109 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'Y' and resid 52 through 53 removed outlier: 3.874A pdb=" N VAL Y 169 " --> pdb=" O ALA Y 56 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'Y' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL Y 168 " --> pdb=" O GLY Y 95 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'Y' and resid 69 through 70 removed outlier: 3.534A pdb=" N ALA Y 109 " --> pdb=" O GLN Y 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS Y 107 " --> pdb=" O TYR Y 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA Y 106 " --> pdb=" O ALA Y 126 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'Z' and resid 49 through 52 removed outlier: 4.022A pdb=" N VAL Z 168 " --> pdb=" O GLY Z 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY Z 95 " --> pdb=" O VAL Z 168 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'Z' and resid 68 through 70 Processing sheet with id= 70, first strand: chain '0' and resid 49 through 54 removed outlier: 3.857A pdb=" N VAL 0 173 " --> pdb=" O SER 0 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG 0 89 " --> pdb=" O GLU 0 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VAL 0 176 " --> pdb=" O VAL 0 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VAL 0 87 " --> pdb=" O VAL 0 176 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain '0' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY 0 95 " --> pdb=" O VAL 0 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VAL 0 168 " --> pdb=" O GLY 0 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 71 Processing sheet with id= 72, first strand: chain '0' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYS 0 107 " --> pdb=" O TYR 0 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA 0 109 " --> pdb=" O GLN 0 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLN 0 153 " --> pdb=" O ALA 0 109 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain '1' and resid 52 through 53 removed outlier: 3.874A pdb=" N VAL 1 169 " --> pdb=" O ALA 1 56 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain '1' and resid 52 through 53 removed outlier: 3.524A pdb=" N VAL 1 168 " --> pdb=" O GLY 1 95 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain '1' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA 1 109 " --> pdb=" O GLN 1 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYS 1 107 " --> pdb=" O TYR 1 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALA 1 106 " --> pdb=" O ALA 1 126 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain '2' and resid 49 through 52 removed outlier: 4.022A pdb=" N VAL 2 168 " --> pdb=" O GLY 2 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY 2 95 " --> pdb=" O VAL 2 168 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain '2' and resid 68 through 70 Processing sheet with id= 78, first strand: chain '3' and resid 49 through 54 removed outlier: 3.856A pdb=" N VAL 3 173 " --> pdb=" O SER 3 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG 3 89 " --> pdb=" O GLU 3 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VAL 3 176 " --> pdb=" O VAL 3 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL 3 87 " --> pdb=" O VAL 3 176 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain '3' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY 3 95 " --> pdb=" O VAL 3 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VAL 3 168 " --> pdb=" O GLY 3 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 79 Processing sheet with id= 80, first strand: chain '3' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYS 3 107 " --> pdb=" O TYR 3 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA 3 109 " --> pdb=" O GLN 3 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLN 3 153 " --> pdb=" O ALA 3 109 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain '4' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL 4 169 " --> pdb=" O ALA 4 56 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain '4' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL 4 168 " --> pdb=" O GLY 4 95 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain '4' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA 4 109 " --> pdb=" O GLN 4 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS 4 107 " --> pdb=" O TYR 4 155 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N ALA 4 106 " --> pdb=" O ALA 4 126 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain '5' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL 5 168 " --> pdb=" O GLY 5 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY 5 95 " --> pdb=" O VAL 5 168 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain '5' and resid 68 through 70 Processing sheet with id= 86, first strand: chain '6' and resid 49 through 54 removed outlier: 3.857A pdb=" N VAL 6 173 " --> pdb=" O SER 6 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG 6 89 " --> pdb=" O GLU 6 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VAL 6 176 " --> pdb=" O VAL 6 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL 6 87 " --> pdb=" O VAL 6 176 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain '6' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY 6 95 " --> pdb=" O VAL 6 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VAL 6 168 " --> pdb=" O GLY 6 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 87 Processing sheet with id= 88, first strand: chain '6' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYS 6 107 " --> pdb=" O TYR 6 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA 6 109 " --> pdb=" O GLN 6 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN 6 153 " --> pdb=" O ALA 6 109 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain '7' and resid 52 through 53 removed outlier: 3.874A pdb=" N VAL 7 169 " --> pdb=" O ALA 7 56 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain '7' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL 7 168 " --> pdb=" O GLY 7 95 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain '7' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA 7 109 " --> pdb=" O GLN 7 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYS 7 107 " --> pdb=" O TYR 7 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA 7 106 " --> pdb=" O ALA 7 126 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain '8' and resid 49 through 52 removed outlier: 4.022A pdb=" N VAL 8 168 " --> pdb=" O GLY 8 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY 8 95 " --> pdb=" O VAL 8 168 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain '8' and resid 68 through 70 Processing sheet with id= 94, first strand: chain '9' and resid 49 through 54 removed outlier: 3.857A pdb=" N VAL 9 173 " --> pdb=" O SER 9 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG 9 89 " --> pdb=" O GLU 9 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VAL 9 176 " --> pdb=" O VAL 9 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VAL 9 87 " --> pdb=" O VAL 9 176 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain '9' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY 9 95 " --> pdb=" O VAL 9 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VAL 9 168 " --> pdb=" O GLY 9 95 " (cutoff:3.500A) No H-bonds generated for sheet with id= 95 Processing sheet with id= 96, first strand: chain '9' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYS 9 107 " --> pdb=" O TYR 9 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA 9 109 " --> pdb=" O GLN 9 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN 9 153 " --> pdb=" O ALA 9 109 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'a' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL a 169 " --> pdb=" O ALA a 56 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'a' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL a 168 " --> pdb=" O GLY a 95 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'a' and resid 69 through 70 removed outlier: 3.534A pdb=" N ALA a 109 " --> pdb=" O GLN a 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS a 107 " --> pdb=" O TYR a 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA a 106 " --> pdb=" O ALA a 126 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'b' and resid 49 through 52 removed outlier: 4.022A pdb=" N VAL b 168 " --> pdb=" O GLY b 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY b 95 " --> pdb=" O VAL b 168 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'b' and resid 68 through 70 Processing sheet with id=102, first strand: chain 'c' and resid 49 through 54 removed outlier: 3.857A pdb=" N VAL c 173 " --> pdb=" O SER c 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG c 89 " --> pdb=" O GLU c 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VAL c 176 " --> pdb=" O VAL c 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VAL c 87 " --> pdb=" O VAL c 176 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'c' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY c 95 " --> pdb=" O VAL c 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VAL c 168 " --> pdb=" O GLY c 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=103 Processing sheet with id=104, first strand: chain 'c' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYS c 107 " --> pdb=" O TYR c 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA c 109 " --> pdb=" O GLN c 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN c 153 " --> pdb=" O ALA c 109 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain 'd' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL d 169 " --> pdb=" O ALA d 56 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain 'd' and resid 52 through 53 removed outlier: 3.524A pdb=" N VAL d 168 " --> pdb=" O GLY d 95 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain 'd' and resid 69 through 70 removed outlier: 3.532A pdb=" N ALA d 109 " --> pdb=" O GLN d 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS d 107 " --> pdb=" O TYR d 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALA d 106 " --> pdb=" O ALA d 126 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain 'e' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL e 168 " --> pdb=" O GLY e 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY e 95 " --> pdb=" O VAL e 168 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 'e' and resid 68 through 70 Processing sheet with id=110, first strand: chain 'f' and resid 49 through 54 removed outlier: 3.857A pdb=" N VAL f 173 " --> pdb=" O SER f 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARG f 89 " --> pdb=" O GLU f 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VAL f 176 " --> pdb=" O VAL f 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL f 87 " --> pdb=" O VAL f 176 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 'f' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY f 95 " --> pdb=" O VAL f 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VAL f 168 " --> pdb=" O GLY f 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=111 Processing sheet with id=112, first strand: chain 'f' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYS f 107 " --> pdb=" O TYR f 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA f 109 " --> pdb=" O GLN f 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN f 153 " --> pdb=" O ALA f 109 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'g' and resid 52 through 53 removed outlier: 3.874A pdb=" N VAL g 169 " --> pdb=" O ALA g 56 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'g' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL g 168 " --> pdb=" O GLY g 95 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'g' and resid 69 through 70 removed outlier: 3.534A pdb=" N ALA g 109 " --> pdb=" O GLN g 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS g 107 " --> pdb=" O TYR g 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALA g 106 " --> pdb=" O ALA g 126 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'h' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL h 168 " --> pdb=" O GLY h 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY h 95 " --> pdb=" O VAL h 168 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain 'h' and resid 68 through 70 Processing sheet with id=118, first strand: chain 'i' and resid 49 through 54 removed outlier: 3.857A pdb=" N VAL i 173 " --> pdb=" O SER i 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARG i 89 " --> pdb=" O GLU i 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VAL i 176 " --> pdb=" O VAL i 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL i 87 " --> pdb=" O VAL i 176 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'i' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY i 95 " --> pdb=" O VAL i 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VAL i 168 " --> pdb=" O GLY i 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=119 Processing sheet with id=120, first strand: chain 'i' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYS i 107 " --> pdb=" O TYR i 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA i 109 " --> pdb=" O GLN i 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN i 153 " --> pdb=" O ALA i 109 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain 'j' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL j 169 " --> pdb=" O ALA j 56 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain 'j' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL j 168 " --> pdb=" O GLY j 95 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain 'j' and resid 69 through 70 removed outlier: 3.532A pdb=" N ALA j 109 " --> pdb=" O GLN j 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS j 107 " --> pdb=" O TYR j 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALA j 106 " --> pdb=" O ALA j 126 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain 'k' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL k 168 " --> pdb=" O GLY k 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY k 95 " --> pdb=" O VAL k 168 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain 'k' and resid 68 through 70 Processing sheet with id=126, first strand: chain 'l' and resid 49 through 54 removed outlier: 3.857A pdb=" N VAL l 173 " --> pdb=" O SER l 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG l 89 " --> pdb=" O GLU l 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VAL l 176 " --> pdb=" O VAL l 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VAL l 87 " --> pdb=" O VAL l 176 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain 'l' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY l 95 " --> pdb=" O VAL l 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VAL l 168 " --> pdb=" O GLY l 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=127 Processing sheet with id=128, first strand: chain 'l' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYS l 107 " --> pdb=" O TYR l 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA l 109 " --> pdb=" O GLN l 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLN l 153 " --> pdb=" O ALA l 109 " (cutoff:3.500A) Processing sheet with id=129, first strand: chain 'm' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL m 169 " --> pdb=" O ALA m 56 " (cutoff:3.500A) Processing sheet with id=130, first strand: chain 'm' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL m 168 " --> pdb=" O GLY m 95 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain 'm' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA m 109 " --> pdb=" O GLN m 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYS m 107 " --> pdb=" O TYR m 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA m 106 " --> pdb=" O ALA m 126 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain 'n' and resid 49 through 52 removed outlier: 4.022A pdb=" N VAL n 168 " --> pdb=" O GLY n 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY n 95 " --> pdb=" O VAL n 168 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain 'n' and resid 68 through 70 Processing sheet with id=134, first strand: chain 'o' and resid 49 through 54 removed outlier: 3.856A pdb=" N VAL o 173 " --> pdb=" O SER o 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG o 89 " --> pdb=" O GLU o 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VAL o 176 " --> pdb=" O VAL o 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL o 87 " --> pdb=" O VAL o 176 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain 'o' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY o 95 " --> pdb=" O VAL o 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VAL o 168 " --> pdb=" O GLY o 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=135 Processing sheet with id=136, first strand: chain 'o' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYS o 107 " --> pdb=" O TYR o 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA o 109 " --> pdb=" O GLN o 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN o 153 " --> pdb=" O ALA o 109 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain 'p' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL p 169 " --> pdb=" O ALA p 56 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain 'p' and resid 52 through 53 removed outlier: 3.524A pdb=" N VAL p 168 " --> pdb=" O GLY p 95 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain 'p' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA p 109 " --> pdb=" O GLN p 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYS p 107 " --> pdb=" O TYR p 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA p 106 " --> pdb=" O ALA p 126 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain 'q' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL q 168 " --> pdb=" O GLY q 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY q 95 " --> pdb=" O VAL q 168 " (cutoff:3.500A) Processing sheet with id=141, first strand: chain 'q' and resid 68 through 70 Processing sheet with id=142, first strand: chain 'r' and resid 49 through 54 removed outlier: 3.856A pdb=" N VAL r 173 " --> pdb=" O SER r 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG r 89 " --> pdb=" O GLU r 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VAL r 176 " --> pdb=" O VAL r 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VAL r 87 " --> pdb=" O VAL r 176 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain 'r' and resid 94 through 96 removed outlier: 3.904A pdb=" N GLY r 95 " --> pdb=" O VAL r 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VAL r 168 " --> pdb=" O GLY r 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=143 Processing sheet with id=144, first strand: chain 'r' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYS r 107 " --> pdb=" O TYR r 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA r 109 " --> pdb=" O GLN r 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLN r 153 " --> pdb=" O ALA r 109 " (cutoff:3.500A) Processing sheet with id=145, first strand: chain 's' and resid 52 through 53 removed outlier: 3.874A pdb=" N VAL s 169 " --> pdb=" O ALA s 56 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 's' and resid 52 through 53 removed outlier: 3.524A pdb=" N VAL s 168 " --> pdb=" O GLY s 95 " (cutoff:3.500A) Processing sheet with id=147, first strand: chain 's' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA s 109 " --> pdb=" O GLN s 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS s 107 " --> pdb=" O TYR s 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA s 106 " --> pdb=" O ALA s 126 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 't' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL t 168 " --> pdb=" O GLY t 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY t 95 " --> pdb=" O VAL t 168 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 't' and resid 68 through 70 Processing sheet with id=150, first strand: chain 'u' and resid 49 through 54 removed outlier: 3.856A pdb=" N VAL u 173 " --> pdb=" O SER u 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG u 89 " --> pdb=" O GLU u 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VAL u 176 " --> pdb=" O VAL u 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL u 87 " --> pdb=" O VAL u 176 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'u' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY u 95 " --> pdb=" O VAL u 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VAL u 168 " --> pdb=" O GLY u 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=151 Processing sheet with id=152, first strand: chain 'u' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYS u 107 " --> pdb=" O TYR u 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA u 109 " --> pdb=" O GLN u 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN u 153 " --> pdb=" O ALA u 109 " (cutoff:3.500A) Processing sheet with id=153, first strand: chain 'v' and resid 52 through 53 removed outlier: 3.874A pdb=" N VAL v 169 " --> pdb=" O ALA v 56 " (cutoff:3.500A) Processing sheet with id=154, first strand: chain 'v' and resid 52 through 53 removed outlier: 3.524A pdb=" N VAL v 168 " --> pdb=" O GLY v 95 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'v' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA v 109 " --> pdb=" O GLN v 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYS v 107 " --> pdb=" O TYR v 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA v 106 " --> pdb=" O ALA v 126 " (cutoff:3.500A) Processing sheet with id=156, first strand: chain 'w' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL w 168 " --> pdb=" O GLY w 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY w 95 " --> pdb=" O VAL w 168 " (cutoff:3.500A) Processing sheet with id=157, first strand: chain 'w' and resid 68 through 70 Processing sheet with id=158, first strand: chain 'x' and resid 49 through 54 removed outlier: 3.857A pdb=" N VAL x 173 " --> pdb=" O SER x 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARG x 89 " --> pdb=" O GLU x 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VAL x 176 " --> pdb=" O VAL x 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VAL x 87 " --> pdb=" O VAL x 176 " (cutoff:3.500A) Processing sheet with id=159, first strand: chain 'x' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLY x 95 " --> pdb=" O VAL x 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VAL x 168 " --> pdb=" O GLY x 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=159 Processing sheet with id=160, first strand: chain 'x' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYS x 107 " --> pdb=" O TYR x 155 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALA x 109 " --> pdb=" O GLN x 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN x 153 " --> pdb=" O ALA x 109 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'y' and resid 52 through 53 removed outlier: 3.875A pdb=" N VAL y 169 " --> pdb=" O ALA y 56 " (cutoff:3.500A) Processing sheet with id=162, first strand: chain 'y' and resid 52 through 53 removed outlier: 3.523A pdb=" N VAL y 168 " --> pdb=" O GLY y 95 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 'y' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALA y 109 " --> pdb=" O GLN y 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYS y 107 " --> pdb=" O TYR y 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA y 106 " --> pdb=" O ALA y 126 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 'z' and resid 49 through 52 removed outlier: 4.023A pdb=" N VAL z 168 " --> pdb=" O GLY z 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY z 95 " --> pdb=" O VAL z 168 " (cutoff:3.500A) Processing sheet with id=165, first strand: chain 'z' and resid 68 through 70 Processing sheet with id=166, first strand: chain 'AA' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALAA 173 " --> pdb=" O SERAA 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGAA 89 " --> pdb=" O GLUAA 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALAA 176 " --> pdb=" O VALAA 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALAA 87 " --> pdb=" O VALAA 176 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 'AA' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYAA 95 " --> pdb=" O VALAA 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALAA 168 " --> pdb=" O GLYAA 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=167 Processing sheet with id=168, first strand: chain 'AA' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSAA 107 " --> pdb=" O TYRAA 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALAAA 109 " --> pdb=" O GLNAA 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNAA 153 " --> pdb=" O ALAAA 109 " (cutoff:3.500A) Processing sheet with id=169, first strand: chain 'AB' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALAB 169 " --> pdb=" O ALAAB 56 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'AB' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALAB 168 " --> pdb=" O GLYAB 95 " (cutoff:3.500A) Processing sheet with id=171, first strand: chain 'AB' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAAB 109 " --> pdb=" O GLNAB 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSAB 107 " --> pdb=" O TYRAB 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALAAB 106 " --> pdb=" O ALAAB 126 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain 'AC' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALAC 168 " --> pdb=" O GLYAC 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYAC 95 " --> pdb=" O VALAC 168 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'AC' and resid 68 through 70 Processing sheet with id=174, first strand: chain 'AD' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALAD 173 " --> pdb=" O SERAD 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGAD 89 " --> pdb=" O GLUAD 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALAD 176 " --> pdb=" O VALAD 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALAD 87 " --> pdb=" O VALAD 176 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain 'AD' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYAD 95 " --> pdb=" O VALAD 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALAD 168 " --> pdb=" O GLYAD 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=175 Processing sheet with id=176, first strand: chain 'AD' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSAD 107 " --> pdb=" O TYRAD 155 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALAAD 109 " --> pdb=" O GLNAD 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNAD 153 " --> pdb=" O ALAAD 109 " (cutoff:3.500A) Processing sheet with id=177, first strand: chain 'AE' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALAE 169 " --> pdb=" O ALAAE 56 " (cutoff:3.500A) Processing sheet with id=178, first strand: chain 'AE' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALAE 168 " --> pdb=" O GLYAE 95 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'AE' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAAE 109 " --> pdb=" O GLNAE 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSAE 107 " --> pdb=" O TYRAE 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALAAE 106 " --> pdb=" O ALAAE 126 " (cutoff:3.500A) Processing sheet with id=180, first strand: chain 'AF' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALAF 168 " --> pdb=" O GLYAF 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYAF 95 " --> pdb=" O VALAF 168 " (cutoff:3.500A) Processing sheet with id=181, first strand: chain 'AF' and resid 68 through 70 Processing sheet with id=182, first strand: chain 'AG' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALAG 173 " --> pdb=" O SERAG 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGAG 89 " --> pdb=" O GLUAG 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALAG 176 " --> pdb=" O VALAG 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALAG 87 " --> pdb=" O VALAG 176 " (cutoff:3.500A) Processing sheet with id=183, first strand: chain 'AG' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYAG 95 " --> pdb=" O VALAG 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALAG 168 " --> pdb=" O GLYAG 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=183 Processing sheet with id=184, first strand: chain 'AG' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSAG 107 " --> pdb=" O TYRAG 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAAG 109 " --> pdb=" O GLNAG 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNAG 153 " --> pdb=" O ALAAG 109 " (cutoff:3.500A) Processing sheet with id=185, first strand: chain 'AH' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALAH 169 " --> pdb=" O ALAAH 56 " (cutoff:3.500A) Processing sheet with id=186, first strand: chain 'AH' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALAH 168 " --> pdb=" O GLYAH 95 " (cutoff:3.500A) Processing sheet with id=187, first strand: chain 'AH' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAAH 109 " --> pdb=" O GLNAH 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSAH 107 " --> pdb=" O TYRAH 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALAAH 106 " --> pdb=" O ALAAH 126 " (cutoff:3.500A) Processing sheet with id=188, first strand: chain 'AI' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALAI 168 " --> pdb=" O GLYAI 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYAI 95 " --> pdb=" O VALAI 168 " (cutoff:3.500A) Processing sheet with id=189, first strand: chain 'AI' and resid 68 through 70 Processing sheet with id=190, first strand: chain 'AJ' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALAJ 173 " --> pdb=" O SERAJ 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGAJ 89 " --> pdb=" O GLUAJ 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALAJ 176 " --> pdb=" O VALAJ 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALAJ 87 " --> pdb=" O VALAJ 176 " (cutoff:3.500A) Processing sheet with id=191, first strand: chain 'AJ' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYAJ 95 " --> pdb=" O VALAJ 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALAJ 168 " --> pdb=" O GLYAJ 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=191 Processing sheet with id=192, first strand: chain 'AJ' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSAJ 107 " --> pdb=" O TYRAJ 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAAJ 109 " --> pdb=" O GLNAJ 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNAJ 153 " --> pdb=" O ALAAJ 109 " (cutoff:3.500A) Processing sheet with id=193, first strand: chain 'AK' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALAK 169 " --> pdb=" O ALAAK 56 " (cutoff:3.500A) Processing sheet with id=194, first strand: chain 'AK' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALAK 168 " --> pdb=" O GLYAK 95 " (cutoff:3.500A) Processing sheet with id=195, first strand: chain 'AK' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAAK 109 " --> pdb=" O GLNAK 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSAK 107 " --> pdb=" O TYRAK 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALAAK 106 " --> pdb=" O ALAAK 126 " (cutoff:3.500A) Processing sheet with id=196, first strand: chain 'AL' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALAL 168 " --> pdb=" O GLYAL 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYAL 95 " --> pdb=" O VALAL 168 " (cutoff:3.500A) Processing sheet with id=197, first strand: chain 'AL' and resid 68 through 70 Processing sheet with id=198, first strand: chain 'AM' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALAM 173 " --> pdb=" O SERAM 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGAM 89 " --> pdb=" O GLUAM 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALAM 176 " --> pdb=" O VALAM 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALAM 87 " --> pdb=" O VALAM 176 " (cutoff:3.500A) Processing sheet with id=199, first strand: chain 'AM' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYAM 95 " --> pdb=" O VALAM 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALAM 168 " --> pdb=" O GLYAM 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=199 Processing sheet with id=200, first strand: chain 'AM' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSAM 107 " --> pdb=" O TYRAM 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAAM 109 " --> pdb=" O GLNAM 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNAM 153 " --> pdb=" O ALAAM 109 " (cutoff:3.500A) Processing sheet with id=201, first strand: chain 'AN' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALAN 169 " --> pdb=" O ALAAN 56 " (cutoff:3.500A) Processing sheet with id=202, first strand: chain 'AN' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALAN 168 " --> pdb=" O GLYAN 95 " (cutoff:3.500A) Processing sheet with id=203, first strand: chain 'AN' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAAN 109 " --> pdb=" O GLNAN 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSAN 107 " --> pdb=" O TYRAN 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALAAN 106 " --> pdb=" O ALAAN 126 " (cutoff:3.500A) Processing sheet with id=204, first strand: chain 'AO' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALAO 168 " --> pdb=" O GLYAO 95 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLYAO 95 " --> pdb=" O VALAO 168 " (cutoff:3.500A) Processing sheet with id=205, first strand: chain 'AO' and resid 68 through 70 Processing sheet with id=206, first strand: chain 'AP' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALAP 173 " --> pdb=" O SERAP 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGAP 89 " --> pdb=" O GLUAP 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALAP 176 " --> pdb=" O VALAP 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALAP 87 " --> pdb=" O VALAP 176 " (cutoff:3.500A) Processing sheet with id=207, first strand: chain 'AP' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYAP 95 " --> pdb=" O VALAP 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALAP 168 " --> pdb=" O GLYAP 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=207 Processing sheet with id=208, first strand: chain 'AP' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSAP 107 " --> pdb=" O TYRAP 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAAP 109 " --> pdb=" O GLNAP 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNAP 153 " --> pdb=" O ALAAP 109 " (cutoff:3.500A) Processing sheet with id=209, first strand: chain 'AQ' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALAQ 169 " --> pdb=" O ALAAQ 56 " (cutoff:3.500A) Processing sheet with id=210, first strand: chain 'AQ' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALAQ 168 " --> pdb=" O GLYAQ 95 " (cutoff:3.500A) Processing sheet with id=211, first strand: chain 'AQ' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAAQ 109 " --> pdb=" O GLNAQ 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSAQ 107 " --> pdb=" O TYRAQ 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALAAQ 106 " --> pdb=" O ALAAQ 126 " (cutoff:3.500A) Processing sheet with id=212, first strand: chain 'AR' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALAR 168 " --> pdb=" O GLYAR 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYAR 95 " --> pdb=" O VALAR 168 " (cutoff:3.500A) Processing sheet with id=213, first strand: chain 'AR' and resid 68 through 70 Processing sheet with id=214, first strand: chain 'AS' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALAS 173 " --> pdb=" O SERAS 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGAS 89 " --> pdb=" O GLUAS 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALAS 176 " --> pdb=" O VALAS 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALAS 87 " --> pdb=" O VALAS 176 " (cutoff:3.500A) Processing sheet with id=215, first strand: chain 'AS' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYAS 95 " --> pdb=" O VALAS 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALAS 168 " --> pdb=" O GLYAS 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=215 Processing sheet with id=216, first strand: chain 'AS' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSAS 107 " --> pdb=" O TYRAS 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAAS 109 " --> pdb=" O GLNAS 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNAS 153 " --> pdb=" O ALAAS 109 " (cutoff:3.500A) Processing sheet with id=217, first strand: chain 'AT' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALAT 169 " --> pdb=" O ALAAT 56 " (cutoff:3.500A) Processing sheet with id=218, first strand: chain 'AT' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALAT 168 " --> pdb=" O GLYAT 95 " (cutoff:3.500A) Processing sheet with id=219, first strand: chain 'AT' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAAT 109 " --> pdb=" O GLNAT 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSAT 107 " --> pdb=" O TYRAT 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALAAT 106 " --> pdb=" O ALAAT 126 " (cutoff:3.500A) Processing sheet with id=220, first strand: chain 'AU' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALAU 168 " --> pdb=" O GLYAU 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYAU 95 " --> pdb=" O VALAU 168 " (cutoff:3.500A) Processing sheet with id=221, first strand: chain 'AU' and resid 68 through 70 Processing sheet with id=222, first strand: chain 'AV' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALAV 173 " --> pdb=" O SERAV 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGAV 89 " --> pdb=" O GLUAV 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALAV 176 " --> pdb=" O VALAV 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALAV 87 " --> pdb=" O VALAV 176 " (cutoff:3.500A) Processing sheet with id=223, first strand: chain 'AV' and resid 94 through 96 removed outlier: 3.904A pdb=" N GLYAV 95 " --> pdb=" O VALAV 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALAV 168 " --> pdb=" O GLYAV 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=223 Processing sheet with id=224, first strand: chain 'AV' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSAV 107 " --> pdb=" O TYRAV 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAAV 109 " --> pdb=" O GLNAV 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNAV 153 " --> pdb=" O ALAAV 109 " (cutoff:3.500A) Processing sheet with id=225, first strand: chain 'AW' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALAW 169 " --> pdb=" O ALAAW 56 " (cutoff:3.500A) Processing sheet with id=226, first strand: chain 'AW' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALAW 168 " --> pdb=" O GLYAW 95 " (cutoff:3.500A) Processing sheet with id=227, first strand: chain 'AW' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAAW 109 " --> pdb=" O GLNAW 153 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N CYSAW 107 " --> pdb=" O TYRAW 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALAAW 106 " --> pdb=" O ALAAW 126 " (cutoff:3.500A) Processing sheet with id=228, first strand: chain 'AX' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALAX 168 " --> pdb=" O GLYAX 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYAX 95 " --> pdb=" O VALAX 168 " (cutoff:3.500A) Processing sheet with id=229, first strand: chain 'AX' and resid 68 through 70 Processing sheet with id=230, first strand: chain 'AY' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALAY 173 " --> pdb=" O SERAY 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGAY 89 " --> pdb=" O GLUAY 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALAY 176 " --> pdb=" O VALAY 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALAY 87 " --> pdb=" O VALAY 176 " (cutoff:3.500A) Processing sheet with id=231, first strand: chain 'AY' and resid 94 through 96 removed outlier: 3.904A pdb=" N GLYAY 95 " --> pdb=" O VALAY 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALAY 168 " --> pdb=" O GLYAY 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=231 Processing sheet with id=232, first strand: chain 'AY' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSAY 107 " --> pdb=" O TYRAY 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAAY 109 " --> pdb=" O GLNAY 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNAY 153 " --> pdb=" O ALAAY 109 " (cutoff:3.500A) Processing sheet with id=233, first strand: chain 'AZ' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALAZ 169 " --> pdb=" O ALAAZ 56 " (cutoff:3.500A) Processing sheet with id=234, first strand: chain 'AZ' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALAZ 168 " --> pdb=" O GLYAZ 95 " (cutoff:3.500A) Processing sheet with id=235, first strand: chain 'AZ' and resid 69 through 70 removed outlier: 3.532A pdb=" N ALAAZ 109 " --> pdb=" O GLNAZ 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSAZ 107 " --> pdb=" O TYRAZ 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALAAZ 106 " --> pdb=" O ALAAZ 126 " (cutoff:3.500A) Processing sheet with id=236, first strand: chain 'A0' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALA0 168 " --> pdb=" O GLYA0 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYA0 95 " --> pdb=" O VALA0 168 " (cutoff:3.500A) Processing sheet with id=237, first strand: chain 'A0' and resid 68 through 70 Processing sheet with id=238, first strand: chain 'A1' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALA1 173 " --> pdb=" O SERA1 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGA1 89 " --> pdb=" O GLUA1 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALA1 176 " --> pdb=" O VALA1 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALA1 87 " --> pdb=" O VALA1 176 " (cutoff:3.500A) Processing sheet with id=239, first strand: chain 'A1' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYA1 95 " --> pdb=" O VALA1 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALA1 168 " --> pdb=" O GLYA1 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=239 Processing sheet with id=240, first strand: chain 'A1' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSA1 107 " --> pdb=" O TYRA1 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAA1 109 " --> pdb=" O GLNA1 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNA1 153 " --> pdb=" O ALAA1 109 " (cutoff:3.500A) Processing sheet with id=241, first strand: chain 'A2' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALA2 169 " --> pdb=" O ALAA2 56 " (cutoff:3.500A) Processing sheet with id=242, first strand: chain 'A2' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALA2 168 " --> pdb=" O GLYA2 95 " (cutoff:3.500A) Processing sheet with id=243, first strand: chain 'A2' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAA2 109 " --> pdb=" O GLNA2 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSA2 107 " --> pdb=" O TYRA2 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALAA2 106 " --> pdb=" O ALAA2 126 " (cutoff:3.500A) Processing sheet with id=244, first strand: chain 'A3' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALA3 168 " --> pdb=" O GLYA3 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYA3 95 " --> pdb=" O VALA3 168 " (cutoff:3.500A) Processing sheet with id=245, first strand: chain 'A3' and resid 68 through 70 Processing sheet with id=246, first strand: chain 'A4' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALA4 173 " --> pdb=" O SERA4 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGA4 89 " --> pdb=" O GLUA4 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALA4 176 " --> pdb=" O VALA4 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALA4 87 " --> pdb=" O VALA4 176 " (cutoff:3.500A) Processing sheet with id=247, first strand: chain 'A4' and resid 94 through 96 removed outlier: 3.904A pdb=" N GLYA4 95 " --> pdb=" O VALA4 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALA4 168 " --> pdb=" O GLYA4 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=247 Processing sheet with id=248, first strand: chain 'A4' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSA4 107 " --> pdb=" O TYRA4 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAA4 109 " --> pdb=" O GLNA4 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNA4 153 " --> pdb=" O ALAA4 109 " (cutoff:3.500A) Processing sheet with id=249, first strand: chain 'A5' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALA5 169 " --> pdb=" O ALAA5 56 " (cutoff:3.500A) Processing sheet with id=250, first strand: chain 'A5' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALA5 168 " --> pdb=" O GLYA5 95 " (cutoff:3.500A) Processing sheet with id=251, first strand: chain 'A5' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAA5 109 " --> pdb=" O GLNA5 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSA5 107 " --> pdb=" O TYRA5 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALAA5 106 " --> pdb=" O ALAA5 126 " (cutoff:3.500A) Processing sheet with id=252, first strand: chain 'A6' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALA6 168 " --> pdb=" O GLYA6 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYA6 95 " --> pdb=" O VALA6 168 " (cutoff:3.500A) Processing sheet with id=253, first strand: chain 'A6' and resid 68 through 70 Processing sheet with id=254, first strand: chain 'A7' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALA7 173 " --> pdb=" O SERA7 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGA7 89 " --> pdb=" O GLUA7 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALA7 176 " --> pdb=" O VALA7 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALA7 87 " --> pdb=" O VALA7 176 " (cutoff:3.500A) Processing sheet with id=255, first strand: chain 'A7' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYA7 95 " --> pdb=" O VALA7 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALA7 168 " --> pdb=" O GLYA7 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=255 Processing sheet with id=256, first strand: chain 'A7' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSA7 107 " --> pdb=" O TYRA7 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAA7 109 " --> pdb=" O GLNA7 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNA7 153 " --> pdb=" O ALAA7 109 " (cutoff:3.500A) Processing sheet with id=257, first strand: chain 'A8' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALA8 169 " --> pdb=" O ALAA8 56 " (cutoff:3.500A) Processing sheet with id=258, first strand: chain 'A8' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALA8 168 " --> pdb=" O GLYA8 95 " (cutoff:3.500A) Processing sheet with id=259, first strand: chain 'A8' and resid 69 through 70 removed outlier: 3.532A pdb=" N ALAA8 109 " --> pdb=" O GLNA8 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSA8 107 " --> pdb=" O TYRA8 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALAA8 106 " --> pdb=" O ALAA8 126 " (cutoff:3.500A) Processing sheet with id=260, first strand: chain 'A9' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALA9 168 " --> pdb=" O GLYA9 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYA9 95 " --> pdb=" O VALA9 168 " (cutoff:3.500A) Processing sheet with id=261, first strand: chain 'A9' and resid 68 through 70 Processing sheet with id=262, first strand: chain 'BA' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALBA 173 " --> pdb=" O SERBA 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGBA 89 " --> pdb=" O GLUBA 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALBA 176 " --> pdb=" O VALBA 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALBA 87 " --> pdb=" O VALBA 176 " (cutoff:3.500A) Processing sheet with id=263, first strand: chain 'BA' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYBA 95 " --> pdb=" O VALBA 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALBA 168 " --> pdb=" O GLYBA 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=263 Processing sheet with id=264, first strand: chain 'BA' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSBA 107 " --> pdb=" O TYRBA 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALABA 109 " --> pdb=" O GLNBA 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNBA 153 " --> pdb=" O ALABA 109 " (cutoff:3.500A) Processing sheet with id=265, first strand: chain 'BB' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALBB 169 " --> pdb=" O ALABB 56 " (cutoff:3.500A) Processing sheet with id=266, first strand: chain 'BB' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALBB 168 " --> pdb=" O GLYBB 95 " (cutoff:3.500A) Processing sheet with id=267, first strand: chain 'BB' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALABB 109 " --> pdb=" O GLNBB 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSBB 107 " --> pdb=" O TYRBB 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALABB 106 " --> pdb=" O ALABB 126 " (cutoff:3.500A) Processing sheet with id=268, first strand: chain 'BC' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALBC 168 " --> pdb=" O GLYBC 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYBC 95 " --> pdb=" O VALBC 168 " (cutoff:3.500A) Processing sheet with id=269, first strand: chain 'BC' and resid 68 through 70 Processing sheet with id=270, first strand: chain 'BD' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALBD 173 " --> pdb=" O SERBD 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGBD 89 " --> pdb=" O GLUBD 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALBD 176 " --> pdb=" O VALBD 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALBD 87 " --> pdb=" O VALBD 176 " (cutoff:3.500A) Processing sheet with id=271, first strand: chain 'BD' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYBD 95 " --> pdb=" O VALBD 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALBD 168 " --> pdb=" O GLYBD 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=271 Processing sheet with id=272, first strand: chain 'BD' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSBD 107 " --> pdb=" O TYRBD 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALABD 109 " --> pdb=" O GLNBD 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNBD 153 " --> pdb=" O ALABD 109 " (cutoff:3.500A) Processing sheet with id=273, first strand: chain 'BE' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALBE 169 " --> pdb=" O ALABE 56 " (cutoff:3.500A) Processing sheet with id=274, first strand: chain 'BE' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALBE 168 " --> pdb=" O GLYBE 95 " (cutoff:3.500A) Processing sheet with id=275, first strand: chain 'BE' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALABE 109 " --> pdb=" O GLNBE 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSBE 107 " --> pdb=" O TYRBE 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALABE 106 " --> pdb=" O ALABE 126 " (cutoff:3.500A) Processing sheet with id=276, first strand: chain 'BF' and resid 49 through 52 removed outlier: 4.024A pdb=" N VALBF 168 " --> pdb=" O GLYBF 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYBF 95 " --> pdb=" O VALBF 168 " (cutoff:3.500A) Processing sheet with id=277, first strand: chain 'BF' and resid 68 through 70 Processing sheet with id=278, first strand: chain 'BG' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALBG 173 " --> pdb=" O SERBG 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGBG 89 " --> pdb=" O GLUBG 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALBG 176 " --> pdb=" O VALBG 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALBG 87 " --> pdb=" O VALBG 176 " (cutoff:3.500A) Processing sheet with id=279, first strand: chain 'BG' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYBG 95 " --> pdb=" O VALBG 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALBG 168 " --> pdb=" O GLYBG 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=279 Processing sheet with id=280, first strand: chain 'BG' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSBG 107 " --> pdb=" O TYRBG 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALABG 109 " --> pdb=" O GLNBG 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNBG 153 " --> pdb=" O ALABG 109 " (cutoff:3.500A) Processing sheet with id=281, first strand: chain 'BH' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALBH 169 " --> pdb=" O ALABH 56 " (cutoff:3.500A) Processing sheet with id=282, first strand: chain 'BH' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALBH 168 " --> pdb=" O GLYBH 95 " (cutoff:3.500A) Processing sheet with id=283, first strand: chain 'BH' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALABH 109 " --> pdb=" O GLNBH 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSBH 107 " --> pdb=" O TYRBH 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALABH 106 " --> pdb=" O ALABH 126 " (cutoff:3.500A) Processing sheet with id=284, first strand: chain 'BI' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALBI 168 " --> pdb=" O GLYBI 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYBI 95 " --> pdb=" O VALBI 168 " (cutoff:3.500A) Processing sheet with id=285, first strand: chain 'BI' and resid 68 through 70 Processing sheet with id=286, first strand: chain 'BJ' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALBJ 173 " --> pdb=" O SERBJ 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGBJ 89 " --> pdb=" O GLUBJ 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALBJ 176 " --> pdb=" O VALBJ 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALBJ 87 " --> pdb=" O VALBJ 176 " (cutoff:3.500A) Processing sheet with id=287, first strand: chain 'BJ' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYBJ 95 " --> pdb=" O VALBJ 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALBJ 168 " --> pdb=" O GLYBJ 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=287 Processing sheet with id=288, first strand: chain 'BJ' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSBJ 107 " --> pdb=" O TYRBJ 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALABJ 109 " --> pdb=" O GLNBJ 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNBJ 153 " --> pdb=" O ALABJ 109 " (cutoff:3.500A) Processing sheet with id=289, first strand: chain 'BK' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALBK 169 " --> pdb=" O ALABK 56 " (cutoff:3.500A) Processing sheet with id=290, first strand: chain 'BK' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALBK 168 " --> pdb=" O GLYBK 95 " (cutoff:3.500A) Processing sheet with id=291, first strand: chain 'BK' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALABK 109 " --> pdb=" O GLNBK 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSBK 107 " --> pdb=" O TYRBK 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALABK 106 " --> pdb=" O ALABK 126 " (cutoff:3.500A) Processing sheet with id=292, first strand: chain 'BL' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALBL 168 " --> pdb=" O GLYBL 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYBL 95 " --> pdb=" O VALBL 168 " (cutoff:3.500A) Processing sheet with id=293, first strand: chain 'BL' and resid 68 through 70 Processing sheet with id=294, first strand: chain 'BM' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALBM 173 " --> pdb=" O SERBM 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGBM 89 " --> pdb=" O GLUBM 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALBM 176 " --> pdb=" O VALBM 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALBM 87 " --> pdb=" O VALBM 176 " (cutoff:3.500A) Processing sheet with id=295, first strand: chain 'BM' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYBM 95 " --> pdb=" O VALBM 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALBM 168 " --> pdb=" O GLYBM 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=295 Processing sheet with id=296, first strand: chain 'BM' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSBM 107 " --> pdb=" O TYRBM 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALABM 109 " --> pdb=" O GLNBM 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNBM 153 " --> pdb=" O ALABM 109 " (cutoff:3.500A) Processing sheet with id=297, first strand: chain 'BN' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALBN 169 " --> pdb=" O ALABN 56 " (cutoff:3.500A) Processing sheet with id=298, first strand: chain 'BN' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALBN 168 " --> pdb=" O GLYBN 95 " (cutoff:3.500A) Processing sheet with id=299, first strand: chain 'BN' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALABN 109 " --> pdb=" O GLNBN 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSBN 107 " --> pdb=" O TYRBN 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALABN 106 " --> pdb=" O ALABN 126 " (cutoff:3.500A) Processing sheet with id=300, first strand: chain 'BO' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALBO 168 " --> pdb=" O GLYBO 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYBO 95 " --> pdb=" O VALBO 168 " (cutoff:3.500A) Processing sheet with id=301, first strand: chain 'BO' and resid 68 through 70 Processing sheet with id=302, first strand: chain 'BP' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALBP 173 " --> pdb=" O SERBP 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGBP 89 " --> pdb=" O GLUBP 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALBP 176 " --> pdb=" O VALBP 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALBP 87 " --> pdb=" O VALBP 176 " (cutoff:3.500A) Processing sheet with id=303, first strand: chain 'BP' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYBP 95 " --> pdb=" O VALBP 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALBP 168 " --> pdb=" O GLYBP 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=303 Processing sheet with id=304, first strand: chain 'BP' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSBP 107 " --> pdb=" O TYRBP 155 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALABP 109 " --> pdb=" O GLNBP 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNBP 153 " --> pdb=" O ALABP 109 " (cutoff:3.500A) Processing sheet with id=305, first strand: chain 'BQ' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALBQ 169 " --> pdb=" O ALABQ 56 " (cutoff:3.500A) Processing sheet with id=306, first strand: chain 'BQ' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALBQ 168 " --> pdb=" O GLYBQ 95 " (cutoff:3.500A) Processing sheet with id=307, first strand: chain 'BQ' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALABQ 109 " --> pdb=" O GLNBQ 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSBQ 107 " --> pdb=" O TYRBQ 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALABQ 106 " --> pdb=" O ALABQ 126 " (cutoff:3.500A) Processing sheet with id=308, first strand: chain 'BR' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALBR 168 " --> pdb=" O GLYBR 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYBR 95 " --> pdb=" O VALBR 168 " (cutoff:3.500A) Processing sheet with id=309, first strand: chain 'BR' and resid 68 through 70 Processing sheet with id=310, first strand: chain 'BS' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALBS 173 " --> pdb=" O SERBS 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGBS 89 " --> pdb=" O GLUBS 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALBS 176 " --> pdb=" O VALBS 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALBS 87 " --> pdb=" O VALBS 176 " (cutoff:3.500A) Processing sheet with id=311, first strand: chain 'BS' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYBS 95 " --> pdb=" O VALBS 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALBS 168 " --> pdb=" O GLYBS 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=311 Processing sheet with id=312, first strand: chain 'BS' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSBS 107 " --> pdb=" O TYRBS 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALABS 109 " --> pdb=" O GLNBS 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNBS 153 " --> pdb=" O ALABS 109 " (cutoff:3.500A) Processing sheet with id=313, first strand: chain 'BT' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALBT 169 " --> pdb=" O ALABT 56 " (cutoff:3.500A) Processing sheet with id=314, first strand: chain 'BT' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALBT 168 " --> pdb=" O GLYBT 95 " (cutoff:3.500A) Processing sheet with id=315, first strand: chain 'BT' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALABT 109 " --> pdb=" O GLNBT 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSBT 107 " --> pdb=" O TYRBT 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALABT 106 " --> pdb=" O ALABT 126 " (cutoff:3.500A) Processing sheet with id=316, first strand: chain 'BU' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALBU 168 " --> pdb=" O GLYBU 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYBU 95 " --> pdb=" O VALBU 168 " (cutoff:3.500A) Processing sheet with id=317, first strand: chain 'BU' and resid 68 through 70 Processing sheet with id=318, first strand: chain 'BV' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALBV 173 " --> pdb=" O SERBV 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGBV 89 " --> pdb=" O GLUBV 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALBV 176 " --> pdb=" O VALBV 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALBV 87 " --> pdb=" O VALBV 176 " (cutoff:3.500A) Processing sheet with id=319, first strand: chain 'BV' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYBV 95 " --> pdb=" O VALBV 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALBV 168 " --> pdb=" O GLYBV 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=319 Processing sheet with id=320, first strand: chain 'BV' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSBV 107 " --> pdb=" O TYRBV 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALABV 109 " --> pdb=" O GLNBV 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNBV 153 " --> pdb=" O ALABV 109 " (cutoff:3.500A) Processing sheet with id=321, first strand: chain 'BW' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALBW 169 " --> pdb=" O ALABW 56 " (cutoff:3.500A) Processing sheet with id=322, first strand: chain 'BW' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALBW 168 " --> pdb=" O GLYBW 95 " (cutoff:3.500A) Processing sheet with id=323, first strand: chain 'BW' and resid 69 through 70 removed outlier: 3.534A pdb=" N ALABW 109 " --> pdb=" O GLNBW 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSBW 107 " --> pdb=" O TYRBW 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALABW 106 " --> pdb=" O ALABW 126 " (cutoff:3.500A) Processing sheet with id=324, first strand: chain 'BX' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALBX 168 " --> pdb=" O GLYBX 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYBX 95 " --> pdb=" O VALBX 168 " (cutoff:3.500A) Processing sheet with id=325, first strand: chain 'BX' and resid 68 through 70 Processing sheet with id=326, first strand: chain 'BY' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALBY 173 " --> pdb=" O SERBY 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGBY 89 " --> pdb=" O GLUBY 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALBY 176 " --> pdb=" O VALBY 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALBY 87 " --> pdb=" O VALBY 176 " (cutoff:3.500A) Processing sheet with id=327, first strand: chain 'BY' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYBY 95 " --> pdb=" O VALBY 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALBY 168 " --> pdb=" O GLYBY 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=327 Processing sheet with id=328, first strand: chain 'BY' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSBY 107 " --> pdb=" O TYRBY 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALABY 109 " --> pdb=" O GLNBY 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNBY 153 " --> pdb=" O ALABY 109 " (cutoff:3.500A) Processing sheet with id=329, first strand: chain 'BZ' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALBZ 169 " --> pdb=" O ALABZ 56 " (cutoff:3.500A) Processing sheet with id=330, first strand: chain 'BZ' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALBZ 168 " --> pdb=" O GLYBZ 95 " (cutoff:3.500A) Processing sheet with id=331, first strand: chain 'BZ' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALABZ 109 " --> pdb=" O GLNBZ 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSBZ 107 " --> pdb=" O TYRBZ 155 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N ALABZ 106 " --> pdb=" O ALABZ 126 " (cutoff:3.500A) Processing sheet with id=332, first strand: chain 'B0' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALB0 168 " --> pdb=" O GLYB0 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYB0 95 " --> pdb=" O VALB0 168 " (cutoff:3.500A) Processing sheet with id=333, first strand: chain 'B0' and resid 68 through 70 Processing sheet with id=334, first strand: chain 'B1' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALB1 173 " --> pdb=" O SERB1 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGB1 89 " --> pdb=" O GLUB1 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALB1 176 " --> pdb=" O VALB1 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALB1 87 " --> pdb=" O VALB1 176 " (cutoff:3.500A) Processing sheet with id=335, first strand: chain 'B1' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYB1 95 " --> pdb=" O VALB1 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALB1 168 " --> pdb=" O GLYB1 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=335 Processing sheet with id=336, first strand: chain 'B1' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSB1 107 " --> pdb=" O TYRB1 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALAB1 109 " --> pdb=" O GLNB1 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNB1 153 " --> pdb=" O ALAB1 109 " (cutoff:3.500A) Processing sheet with id=337, first strand: chain 'B2' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALB2 169 " --> pdb=" O ALAB2 56 " (cutoff:3.500A) Processing sheet with id=338, first strand: chain 'B2' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALB2 168 " --> pdb=" O GLYB2 95 " (cutoff:3.500A) Processing sheet with id=339, first strand: chain 'B2' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAB2 109 " --> pdb=" O GLNB2 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSB2 107 " --> pdb=" O TYRB2 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALAB2 106 " --> pdb=" O ALAB2 126 " (cutoff:3.500A) Processing sheet with id=340, first strand: chain 'B3' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALB3 168 " --> pdb=" O GLYB3 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYB3 95 " --> pdb=" O VALB3 168 " (cutoff:3.500A) Processing sheet with id=341, first strand: chain 'B3' and resid 68 through 70 Processing sheet with id=342, first strand: chain 'B4' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALB4 173 " --> pdb=" O SERB4 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGB4 89 " --> pdb=" O GLUB4 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALB4 176 " --> pdb=" O VALB4 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALB4 87 " --> pdb=" O VALB4 176 " (cutoff:3.500A) Processing sheet with id=343, first strand: chain 'B4' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYB4 95 " --> pdb=" O VALB4 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALB4 168 " --> pdb=" O GLYB4 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=343 Processing sheet with id=344, first strand: chain 'B4' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSB4 107 " --> pdb=" O TYRB4 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAB4 109 " --> pdb=" O GLNB4 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNB4 153 " --> pdb=" O ALAB4 109 " (cutoff:3.500A) Processing sheet with id=345, first strand: chain 'B5' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALB5 169 " --> pdb=" O ALAB5 56 " (cutoff:3.500A) Processing sheet with id=346, first strand: chain 'B5' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALB5 168 " --> pdb=" O GLYB5 95 " (cutoff:3.500A) Processing sheet with id=347, first strand: chain 'B5' and resid 69 through 70 removed outlier: 3.534A pdb=" N ALAB5 109 " --> pdb=" O GLNB5 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSB5 107 " --> pdb=" O TYRB5 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALAB5 106 " --> pdb=" O ALAB5 126 " (cutoff:3.500A) Processing sheet with id=348, first strand: chain 'B6' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALB6 168 " --> pdb=" O GLYB6 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYB6 95 " --> pdb=" O VALB6 168 " (cutoff:3.500A) Processing sheet with id=349, first strand: chain 'B6' and resid 68 through 70 Processing sheet with id=350, first strand: chain 'B7' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALB7 173 " --> pdb=" O SERB7 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGB7 89 " --> pdb=" O GLUB7 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALB7 176 " --> pdb=" O VALB7 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALB7 87 " --> pdb=" O VALB7 176 " (cutoff:3.500A) Processing sheet with id=351, first strand: chain 'B7' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYB7 95 " --> pdb=" O VALB7 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALB7 168 " --> pdb=" O GLYB7 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=351 Processing sheet with id=352, first strand: chain 'B7' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSB7 107 " --> pdb=" O TYRB7 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALAB7 109 " --> pdb=" O GLNB7 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNB7 153 " --> pdb=" O ALAB7 109 " (cutoff:3.500A) Processing sheet with id=353, first strand: chain 'B8' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALB8 169 " --> pdb=" O ALAB8 56 " (cutoff:3.500A) Processing sheet with id=354, first strand: chain 'B8' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALB8 168 " --> pdb=" O GLYB8 95 " (cutoff:3.500A) Processing sheet with id=355, first strand: chain 'B8' and resid 69 through 70 removed outlier: 3.532A pdb=" N ALAB8 109 " --> pdb=" O GLNB8 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSB8 107 " --> pdb=" O TYRB8 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALAB8 106 " --> pdb=" O ALAB8 126 " (cutoff:3.500A) Processing sheet with id=356, first strand: chain 'B9' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALB9 168 " --> pdb=" O GLYB9 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYB9 95 " --> pdb=" O VALB9 168 " (cutoff:3.500A) Processing sheet with id=357, first strand: chain 'B9' and resid 68 through 70 Processing sheet with id=358, first strand: chain 'CA' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALCA 173 " --> pdb=" O SERCA 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGCA 89 " --> pdb=" O GLUCA 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALCA 176 " --> pdb=" O VALCA 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALCA 87 " --> pdb=" O VALCA 176 " (cutoff:3.500A) Processing sheet with id=359, first strand: chain 'CA' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYCA 95 " --> pdb=" O VALCA 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALCA 168 " --> pdb=" O GLYCA 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=359 Processing sheet with id=360, first strand: chain 'CA' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSCA 107 " --> pdb=" O TYRCA 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALACA 109 " --> pdb=" O GLNCA 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNCA 153 " --> pdb=" O ALACA 109 " (cutoff:3.500A) Processing sheet with id=361, first strand: chain 'CB' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALCB 169 " --> pdb=" O ALACB 56 " (cutoff:3.500A) Processing sheet with id=362, first strand: chain 'CB' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALCB 168 " --> pdb=" O GLYCB 95 " (cutoff:3.500A) Processing sheet with id=363, first strand: chain 'CB' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALACB 109 " --> pdb=" O GLNCB 153 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N CYSCB 107 " --> pdb=" O TYRCB 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALACB 106 " --> pdb=" O ALACB 126 " (cutoff:3.500A) Processing sheet with id=364, first strand: chain 'CC' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALCC 168 " --> pdb=" O GLYCC 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYCC 95 " --> pdb=" O VALCC 168 " (cutoff:3.500A) Processing sheet with id=365, first strand: chain 'CC' and resid 68 through 70 Processing sheet with id=366, first strand: chain 'CD' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALCD 173 " --> pdb=" O SERCD 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGCD 89 " --> pdb=" O GLUCD 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALCD 176 " --> pdb=" O VALCD 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALCD 87 " --> pdb=" O VALCD 176 " (cutoff:3.500A) Processing sheet with id=367, first strand: chain 'CD' and resid 94 through 96 removed outlier: 3.904A pdb=" N GLYCD 95 " --> pdb=" O VALCD 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALCD 168 " --> pdb=" O GLYCD 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=367 Processing sheet with id=368, first strand: chain 'CD' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSCD 107 " --> pdb=" O TYRCD 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALACD 109 " --> pdb=" O GLNCD 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNCD 153 " --> pdb=" O ALACD 109 " (cutoff:3.500A) Processing sheet with id=369, first strand: chain 'CE' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALCE 169 " --> pdb=" O ALACE 56 " (cutoff:3.500A) Processing sheet with id=370, first strand: chain 'CE' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALCE 168 " --> pdb=" O GLYCE 95 " (cutoff:3.500A) Processing sheet with id=371, first strand: chain 'CE' and resid 69 through 70 removed outlier: 3.532A pdb=" N ALACE 109 " --> pdb=" O GLNCE 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSCE 107 " --> pdb=" O TYRCE 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALACE 106 " --> pdb=" O ALACE 126 " (cutoff:3.500A) Processing sheet with id=372, first strand: chain 'CF' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALCF 168 " --> pdb=" O GLYCF 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYCF 95 " --> pdb=" O VALCF 168 " (cutoff:3.500A) Processing sheet with id=373, first strand: chain 'CF' and resid 68 through 70 Processing sheet with id=374, first strand: chain 'CG' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALCG 173 " --> pdb=" O SERCG 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGCG 89 " --> pdb=" O GLUCG 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALCG 176 " --> pdb=" O VALCG 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALCG 87 " --> pdb=" O VALCG 176 " (cutoff:3.500A) Processing sheet with id=375, first strand: chain 'CG' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYCG 95 " --> pdb=" O VALCG 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALCG 168 " --> pdb=" O GLYCG 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=375 Processing sheet with id=376, first strand: chain 'CG' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSCG 107 " --> pdb=" O TYRCG 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALACG 109 " --> pdb=" O GLNCG 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNCG 153 " --> pdb=" O ALACG 109 " (cutoff:3.500A) Processing sheet with id=377, first strand: chain 'CH' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALCH 169 " --> pdb=" O ALACH 56 " (cutoff:3.500A) Processing sheet with id=378, first strand: chain 'CH' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALCH 168 " --> pdb=" O GLYCH 95 " (cutoff:3.500A) Processing sheet with id=379, first strand: chain 'CH' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALACH 109 " --> pdb=" O GLNCH 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSCH 107 " --> pdb=" O TYRCH 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALACH 106 " --> pdb=" O ALACH 126 " (cutoff:3.500A) Processing sheet with id=380, first strand: chain 'CI' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALCI 168 " --> pdb=" O GLYCI 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYCI 95 " --> pdb=" O VALCI 168 " (cutoff:3.500A) Processing sheet with id=381, first strand: chain 'CI' and resid 68 through 70 Processing sheet with id=382, first strand: chain 'CJ' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALCJ 173 " --> pdb=" O SERCJ 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGCJ 89 " --> pdb=" O GLUCJ 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALCJ 176 " --> pdb=" O VALCJ 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALCJ 87 " --> pdb=" O VALCJ 176 " (cutoff:3.500A) Processing sheet with id=383, first strand: chain 'CJ' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYCJ 95 " --> pdb=" O VALCJ 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALCJ 168 " --> pdb=" O GLYCJ 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=383 Processing sheet with id=384, first strand: chain 'CJ' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSCJ 107 " --> pdb=" O TYRCJ 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALACJ 109 " --> pdb=" O GLNCJ 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNCJ 153 " --> pdb=" O ALACJ 109 " (cutoff:3.500A) Processing sheet with id=385, first strand: chain 'CK' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALCK 169 " --> pdb=" O ALACK 56 " (cutoff:3.500A) Processing sheet with id=386, first strand: chain 'CK' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALCK 168 " --> pdb=" O GLYCK 95 " (cutoff:3.500A) Processing sheet with id=387, first strand: chain 'CK' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALACK 109 " --> pdb=" O GLNCK 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSCK 107 " --> pdb=" O TYRCK 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALACK 106 " --> pdb=" O ALACK 126 " (cutoff:3.500A) Processing sheet with id=388, first strand: chain 'CL' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALCL 168 " --> pdb=" O GLYCL 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYCL 95 " --> pdb=" O VALCL 168 " (cutoff:3.500A) Processing sheet with id=389, first strand: chain 'CL' and resid 68 through 70 Processing sheet with id=390, first strand: chain 'CM' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALCM 173 " --> pdb=" O SERCM 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGCM 89 " --> pdb=" O GLUCM 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALCM 176 " --> pdb=" O VALCM 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALCM 87 " --> pdb=" O VALCM 176 " (cutoff:3.500A) Processing sheet with id=391, first strand: chain 'CM' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYCM 95 " --> pdb=" O VALCM 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALCM 168 " --> pdb=" O GLYCM 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=391 Processing sheet with id=392, first strand: chain 'CM' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSCM 107 " --> pdb=" O TYRCM 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALACM 109 " --> pdb=" O GLNCM 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNCM 153 " --> pdb=" O ALACM 109 " (cutoff:3.500A) Processing sheet with id=393, first strand: chain 'CN' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALCN 169 " --> pdb=" O ALACN 56 " (cutoff:3.500A) Processing sheet with id=394, first strand: chain 'CN' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALCN 168 " --> pdb=" O GLYCN 95 " (cutoff:3.500A) Processing sheet with id=395, first strand: chain 'CN' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALACN 109 " --> pdb=" O GLNCN 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSCN 107 " --> pdb=" O TYRCN 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALACN 106 " --> pdb=" O ALACN 126 " (cutoff:3.500A) Processing sheet with id=396, first strand: chain 'CO' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALCO 168 " --> pdb=" O GLYCO 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYCO 95 " --> pdb=" O VALCO 168 " (cutoff:3.500A) Processing sheet with id=397, first strand: chain 'CO' and resid 68 through 70 Processing sheet with id=398, first strand: chain 'CP' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALCP 173 " --> pdb=" O SERCP 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGCP 89 " --> pdb=" O GLUCP 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALCP 176 " --> pdb=" O VALCP 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALCP 87 " --> pdb=" O VALCP 176 " (cutoff:3.500A) Processing sheet with id=399, first strand: chain 'CP' and resid 94 through 96 removed outlier: 3.904A pdb=" N GLYCP 95 " --> pdb=" O VALCP 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALCP 168 " --> pdb=" O GLYCP 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=399 Processing sheet with id=400, first strand: chain 'CP' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSCP 107 " --> pdb=" O TYRCP 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALACP 109 " --> pdb=" O GLNCP 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNCP 153 " --> pdb=" O ALACP 109 " (cutoff:3.500A) Processing sheet with id=401, first strand: chain 'CQ' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALCQ 169 " --> pdb=" O ALACQ 56 " (cutoff:3.500A) Processing sheet with id=402, first strand: chain 'CQ' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALCQ 168 " --> pdb=" O GLYCQ 95 " (cutoff:3.500A) Processing sheet with id=403, first strand: chain 'CQ' and resid 69 through 70 removed outlier: 3.532A pdb=" N ALACQ 109 " --> pdb=" O GLNCQ 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSCQ 107 " --> pdb=" O TYRCQ 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALACQ 106 " --> pdb=" O ALACQ 126 " (cutoff:3.500A) Processing sheet with id=404, first strand: chain 'CR' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALCR 168 " --> pdb=" O GLYCR 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYCR 95 " --> pdb=" O VALCR 168 " (cutoff:3.500A) Processing sheet with id=405, first strand: chain 'CR' and resid 68 through 70 Processing sheet with id=406, first strand: chain 'CS' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALCS 173 " --> pdb=" O SERCS 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGCS 89 " --> pdb=" O GLUCS 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALCS 176 " --> pdb=" O VALCS 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALCS 87 " --> pdb=" O VALCS 176 " (cutoff:3.500A) Processing sheet with id=407, first strand: chain 'CS' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYCS 95 " --> pdb=" O VALCS 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALCS 168 " --> pdb=" O GLYCS 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=407 Processing sheet with id=408, first strand: chain 'CS' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSCS 107 " --> pdb=" O TYRCS 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALACS 109 " --> pdb=" O GLNCS 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNCS 153 " --> pdb=" O ALACS 109 " (cutoff:3.500A) Processing sheet with id=409, first strand: chain 'CT' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALCT 169 " --> pdb=" O ALACT 56 " (cutoff:3.500A) Processing sheet with id=410, first strand: chain 'CT' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALCT 168 " --> pdb=" O GLYCT 95 " (cutoff:3.500A) Processing sheet with id=411, first strand: chain 'CT' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALACT 109 " --> pdb=" O GLNCT 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSCT 107 " --> pdb=" O TYRCT 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALACT 106 " --> pdb=" O ALACT 126 " (cutoff:3.500A) Processing sheet with id=412, first strand: chain 'CU' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALCU 168 " --> pdb=" O GLYCU 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYCU 95 " --> pdb=" O VALCU 168 " (cutoff:3.500A) Processing sheet with id=413, first strand: chain 'CU' and resid 68 through 70 Processing sheet with id=414, first strand: chain 'CV' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALCV 173 " --> pdb=" O SERCV 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGCV 89 " --> pdb=" O GLUCV 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALCV 176 " --> pdb=" O VALCV 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALCV 87 " --> pdb=" O VALCV 176 " (cutoff:3.500A) Processing sheet with id=415, first strand: chain 'CV' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYCV 95 " --> pdb=" O VALCV 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALCV 168 " --> pdb=" O GLYCV 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=415 Processing sheet with id=416, first strand: chain 'CV' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSCV 107 " --> pdb=" O TYRCV 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALACV 109 " --> pdb=" O GLNCV 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNCV 153 " --> pdb=" O ALACV 109 " (cutoff:3.500A) Processing sheet with id=417, first strand: chain 'CW' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALCW 169 " --> pdb=" O ALACW 56 " (cutoff:3.500A) Processing sheet with id=418, first strand: chain 'CW' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALCW 168 " --> pdb=" O GLYCW 95 " (cutoff:3.500A) Processing sheet with id=419, first strand: chain 'CW' and resid 69 through 70 removed outlier: 3.532A pdb=" N ALACW 109 " --> pdb=" O GLNCW 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSCW 107 " --> pdb=" O TYRCW 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALACW 106 " --> pdb=" O ALACW 126 " (cutoff:3.500A) Processing sheet with id=420, first strand: chain 'CX' and resid 49 through 52 removed outlier: 4.024A pdb=" N VALCX 168 " --> pdb=" O GLYCX 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYCX 95 " --> pdb=" O VALCX 168 " (cutoff:3.500A) Processing sheet with id=421, first strand: chain 'CX' and resid 68 through 70 Processing sheet with id=422, first strand: chain 'CY' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALCY 173 " --> pdb=" O SERCY 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGCY 89 " --> pdb=" O GLUCY 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALCY 176 " --> pdb=" O VALCY 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALCY 87 " --> pdb=" O VALCY 176 " (cutoff:3.500A) Processing sheet with id=423, first strand: chain 'CY' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYCY 95 " --> pdb=" O VALCY 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALCY 168 " --> pdb=" O GLYCY 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=423 Processing sheet with id=424, first strand: chain 'CY' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSCY 107 " --> pdb=" O TYRCY 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALACY 109 " --> pdb=" O GLNCY 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNCY 153 " --> pdb=" O ALACY 109 " (cutoff:3.500A) Processing sheet with id=425, first strand: chain 'CZ' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALCZ 169 " --> pdb=" O ALACZ 56 " (cutoff:3.500A) Processing sheet with id=426, first strand: chain 'CZ' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALCZ 168 " --> pdb=" O GLYCZ 95 " (cutoff:3.500A) Processing sheet with id=427, first strand: chain 'CZ' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALACZ 109 " --> pdb=" O GLNCZ 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSCZ 107 " --> pdb=" O TYRCZ 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALACZ 106 " --> pdb=" O ALACZ 126 " (cutoff:3.500A) Processing sheet with id=428, first strand: chain 'C0' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALC0 168 " --> pdb=" O GLYC0 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYC0 95 " --> pdb=" O VALC0 168 " (cutoff:3.500A) Processing sheet with id=429, first strand: chain 'C0' and resid 68 through 70 Processing sheet with id=430, first strand: chain 'C1' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALC1 173 " --> pdb=" O SERC1 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGC1 89 " --> pdb=" O GLUC1 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALC1 176 " --> pdb=" O VALC1 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALC1 87 " --> pdb=" O VALC1 176 " (cutoff:3.500A) Processing sheet with id=431, first strand: chain 'C1' and resid 94 through 96 removed outlier: 3.904A pdb=" N GLYC1 95 " --> pdb=" O VALC1 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALC1 168 " --> pdb=" O GLYC1 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=431 Processing sheet with id=432, first strand: chain 'C1' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSC1 107 " --> pdb=" O TYRC1 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAC1 109 " --> pdb=" O GLNC1 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNC1 153 " --> pdb=" O ALAC1 109 " (cutoff:3.500A) Processing sheet with id=433, first strand: chain 'C2' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALC2 169 " --> pdb=" O ALAC2 56 " (cutoff:3.500A) Processing sheet with id=434, first strand: chain 'C2' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALC2 168 " --> pdb=" O GLYC2 95 " (cutoff:3.500A) Processing sheet with id=435, first strand: chain 'C2' and resid 69 through 70 removed outlier: 3.532A pdb=" N ALAC2 109 " --> pdb=" O GLNC2 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSC2 107 " --> pdb=" O TYRC2 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALAC2 106 " --> pdb=" O ALAC2 126 " (cutoff:3.500A) Processing sheet with id=436, first strand: chain 'C3' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALC3 168 " --> pdb=" O GLYC3 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYC3 95 " --> pdb=" O VALC3 168 " (cutoff:3.500A) Processing sheet with id=437, first strand: chain 'C3' and resid 68 through 70 Processing sheet with id=438, first strand: chain 'C4' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALC4 173 " --> pdb=" O SERC4 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGC4 89 " --> pdb=" O GLUC4 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALC4 176 " --> pdb=" O VALC4 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALC4 87 " --> pdb=" O VALC4 176 " (cutoff:3.500A) Processing sheet with id=439, first strand: chain 'C4' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYC4 95 " --> pdb=" O VALC4 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALC4 168 " --> pdb=" O GLYC4 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=439 Processing sheet with id=440, first strand: chain 'C4' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSC4 107 " --> pdb=" O TYRC4 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAC4 109 " --> pdb=" O GLNC4 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNC4 153 " --> pdb=" O ALAC4 109 " (cutoff:3.500A) Processing sheet with id=441, first strand: chain 'C5' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALC5 169 " --> pdb=" O ALAC5 56 " (cutoff:3.500A) Processing sheet with id=442, first strand: chain 'C5' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALC5 168 " --> pdb=" O GLYC5 95 " (cutoff:3.500A) Processing sheet with id=443, first strand: chain 'C5' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAC5 109 " --> pdb=" O GLNC5 153 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N CYSC5 107 " --> pdb=" O TYRC5 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALAC5 106 " --> pdb=" O ALAC5 126 " (cutoff:3.500A) Processing sheet with id=444, first strand: chain 'C6' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALC6 168 " --> pdb=" O GLYC6 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYC6 95 " --> pdb=" O VALC6 168 " (cutoff:3.500A) Processing sheet with id=445, first strand: chain 'C6' and resid 68 through 70 Processing sheet with id=446, first strand: chain 'C7' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALC7 173 " --> pdb=" O SERC7 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGC7 89 " --> pdb=" O GLUC7 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALC7 176 " --> pdb=" O VALC7 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALC7 87 " --> pdb=" O VALC7 176 " (cutoff:3.500A) Processing sheet with id=447, first strand: chain 'C7' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYC7 95 " --> pdb=" O VALC7 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALC7 168 " --> pdb=" O GLYC7 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=447 Processing sheet with id=448, first strand: chain 'C7' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSC7 107 " --> pdb=" O TYRC7 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALAC7 109 " --> pdb=" O GLNC7 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNC7 153 " --> pdb=" O ALAC7 109 " (cutoff:3.500A) Processing sheet with id=449, first strand: chain 'C8' and resid 52 through 53 removed outlier: 3.875A pdb=" N VALC8 169 " --> pdb=" O ALAC8 56 " (cutoff:3.500A) Processing sheet with id=450, first strand: chain 'C8' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALC8 168 " --> pdb=" O GLYC8 95 " (cutoff:3.500A) Processing sheet with id=451, first strand: chain 'C8' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALAC8 109 " --> pdb=" O GLNC8 153 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N CYSC8 107 " --> pdb=" O TYRC8 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALAC8 106 " --> pdb=" O ALAC8 126 " (cutoff:3.500A) Processing sheet with id=452, first strand: chain 'C9' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALC9 168 " --> pdb=" O GLYC9 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYC9 95 " --> pdb=" O VALC9 168 " (cutoff:3.500A) Processing sheet with id=453, first strand: chain 'C9' and resid 68 through 70 Processing sheet with id=454, first strand: chain 'DA' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALDA 173 " --> pdb=" O SERDA 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGDA 89 " --> pdb=" O GLUDA 174 " (cutoff:3.500A) removed outlier: 6.627A pdb=" N VALDA 176 " --> pdb=" O VALDA 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALDA 87 " --> pdb=" O VALDA 176 " (cutoff:3.500A) Processing sheet with id=455, first strand: chain 'DA' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYDA 95 " --> pdb=" O VALDA 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALDA 168 " --> pdb=" O GLYDA 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=455 Processing sheet with id=456, first strand: chain 'DA' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSDA 107 " --> pdb=" O TYRDA 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALADA 109 " --> pdb=" O GLNDA 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLNDA 153 " --> pdb=" O ALADA 109 " (cutoff:3.500A) Processing sheet with id=457, first strand: chain 'DB' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALDB 169 " --> pdb=" O ALADB 56 " (cutoff:3.500A) Processing sheet with id=458, first strand: chain 'DB' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALDB 168 " --> pdb=" O GLYDB 95 " (cutoff:3.500A) Processing sheet with id=459, first strand: chain 'DB' and resid 69 through 70 removed outlier: 3.534A pdb=" N ALADB 109 " --> pdb=" O GLNDB 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSDB 107 " --> pdb=" O TYRDB 155 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALADB 106 " --> pdb=" O ALADB 126 " (cutoff:3.500A) Processing sheet with id=460, first strand: chain 'DC' and resid 49 through 52 removed outlier: 4.022A pdb=" N VALDC 168 " --> pdb=" O GLYDC 95 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYDC 95 " --> pdb=" O VALDC 168 " (cutoff:3.500A) Processing sheet with id=461, first strand: chain 'DC' and resid 68 through 70 Processing sheet with id=462, first strand: chain 'DD' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALDD 173 " --> pdb=" O SERDD 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGDD 89 " --> pdb=" O GLUDD 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALDD 176 " --> pdb=" O VALDD 87 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N VALDD 87 " --> pdb=" O VALDD 176 " (cutoff:3.500A) Processing sheet with id=463, first strand: chain 'DD' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYDD 95 " --> pdb=" O VALDD 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALDD 168 " --> pdb=" O GLYDD 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=463 Processing sheet with id=464, first strand: chain 'DD' and resid 126 through 127 removed outlier: 3.735A pdb=" N CYSDD 107 " --> pdb=" O TYRDD 155 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALADD 109 " --> pdb=" O GLNDD 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNDD 153 " --> pdb=" O ALADD 109 " (cutoff:3.500A) Processing sheet with id=465, first strand: chain 'DE' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALDE 169 " --> pdb=" O ALADE 56 " (cutoff:3.500A) Processing sheet with id=466, first strand: chain 'DE' and resid 52 through 53 removed outlier: 3.524A pdb=" N VALDE 168 " --> pdb=" O GLYDE 95 " (cutoff:3.500A) Processing sheet with id=467, first strand: chain 'DE' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALADE 109 " --> pdb=" O GLNDE 153 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N CYSDE 107 " --> pdb=" O TYRDE 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALADE 106 " --> pdb=" O ALADE 126 " (cutoff:3.500A) Processing sheet with id=468, first strand: chain 'DF' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALDF 168 " --> pdb=" O GLYDF 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYDF 95 " --> pdb=" O VALDF 168 " (cutoff:3.500A) Processing sheet with id=469, first strand: chain 'DF' and resid 68 through 70 Processing sheet with id=470, first strand: chain 'DG' and resid 49 through 54 removed outlier: 3.856A pdb=" N VALDG 173 " --> pdb=" O SERDG 52 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ARGDG 89 " --> pdb=" O GLUDG 174 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N VALDG 176 " --> pdb=" O VALDG 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALDG 87 " --> pdb=" O VALDG 176 " (cutoff:3.500A) Processing sheet with id=471, first strand: chain 'DG' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYDG 95 " --> pdb=" O VALDG 168 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N VALDG 168 " --> pdb=" O GLYDG 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=471 Processing sheet with id=472, first strand: chain 'DG' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSDG 107 " --> pdb=" O TYRDG 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALADG 109 " --> pdb=" O GLNDG 153 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLNDG 153 " --> pdb=" O ALADG 109 " (cutoff:3.500A) Processing sheet with id=473, first strand: chain 'DH' and resid 52 through 53 removed outlier: 3.874A pdb=" N VALDH 169 " --> pdb=" O ALADH 56 " (cutoff:3.500A) Processing sheet with id=474, first strand: chain 'DH' and resid 52 through 53 removed outlier: 3.523A pdb=" N VALDH 168 " --> pdb=" O GLYDH 95 " (cutoff:3.500A) Processing sheet with id=475, first strand: chain 'DH' and resid 69 through 70 removed outlier: 3.533A pdb=" N ALADH 109 " --> pdb=" O GLNDH 153 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N CYSDH 107 " --> pdb=" O TYRDH 155 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALADH 106 " --> pdb=" O ALADH 126 " (cutoff:3.500A) Processing sheet with id=476, first strand: chain 'DI' and resid 49 through 52 removed outlier: 4.023A pdb=" N VALDI 168 " --> pdb=" O GLYDI 95 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYDI 95 " --> pdb=" O VALDI 168 " (cutoff:3.500A) Processing sheet with id=477, first strand: chain 'DI' and resid 68 through 70 Processing sheet with id=478, first strand: chain 'DJ' and resid 49 through 54 removed outlier: 3.857A pdb=" N VALDJ 173 " --> pdb=" O SERDJ 52 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N ARGDJ 89 " --> pdb=" O GLUDJ 174 " (cutoff:3.500A) removed outlier: 6.628A pdb=" N VALDJ 176 " --> pdb=" O VALDJ 87 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N VALDJ 87 " --> pdb=" O VALDJ 176 " (cutoff:3.500A) Processing sheet with id=479, first strand: chain 'DJ' and resid 94 through 96 removed outlier: 3.905A pdb=" N GLYDJ 95 " --> pdb=" O VALDJ 168 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VALDJ 168 " --> pdb=" O GLYDJ 95 " (cutoff:3.500A) No H-bonds generated for sheet with id=479 Processing sheet with id=480, first strand: chain 'DJ' and resid 126 through 127 removed outlier: 3.736A pdb=" N CYSDJ 107 " --> pdb=" O TYRDJ 155 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALADJ 109 " --> pdb=" O GLNDJ 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLNDJ 153 " --> pdb=" O ALADJ 109 " (cutoff:3.500A) 3660 hydrogen bonds defined for protein. 7020 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: 159.43 Time building geometry restraints manager: 69.50 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.33: 59586 1.33 - 1.45: 39453 1.45 - 1.57: 121161 1.57 - 1.69: 0 1.69 - 1.81: 900 Bond restraints: 221100 Sorted by residual: bond pdb=" CA ILEDG 154 " pdb=" CB ILEDG 154 " ideal model delta sigma weight residual 1.540 1.491 0.049 1.10e-02 8.26e+03 1.97e+01 bond pdb=" CA ILEB1 154 " pdb=" CB ILEB1 154 " ideal model delta sigma weight residual 1.540 1.491 0.049 1.10e-02 8.26e+03 1.95e+01 bond pdb=" CA ILE 6 154 " pdb=" CB ILE 6 154 " ideal model delta sigma weight residual 1.540 1.491 0.049 1.10e-02 8.26e+03 1.95e+01 bond pdb=" CA ILE 3 154 " pdb=" CB ILE 3 154 " ideal model delta sigma weight residual 1.540 1.491 0.049 1.10e-02 8.26e+03 1.94e+01 bond pdb=" CA ILEAG 154 " pdb=" CB ILEAG 154 " ideal model delta sigma weight residual 1.540 1.491 0.048 1.10e-02 8.26e+03 1.94e+01 ... (remaining 221095 not shown) Histogram of bond angle deviations from ideal: 97.90 - 105.12: 5321 105.12 - 112.34: 112931 112.34 - 119.55: 71747 119.55 - 126.77: 108351 126.77 - 133.99: 2310 Bond angle restraints: 300660 Sorted by residual: angle pdb=" N LEU H 97 " pdb=" CA LEU H 97 " pdb=" C LEU H 97 " ideal model delta sigma weight residual 110.24 100.07 10.17 1.46e+00 4.69e-01 4.85e+01 angle pdb=" N LEU k 97 " pdb=" CA LEU k 97 " pdb=" C LEU k 97 " ideal model delta sigma weight residual 110.24 100.07 10.17 1.46e+00 4.69e-01 4.85e+01 angle pdb=" N LEUA0 97 " pdb=" CA LEUA0 97 " pdb=" C LEUA0 97 " ideal model delta sigma weight residual 110.24 100.08 10.16 1.46e+00 4.69e-01 4.85e+01 angle pdb=" N LEUCF 97 " pdb=" CA LEUCF 97 " pdb=" C LEUCF 97 " ideal model delta sigma weight residual 110.24 100.08 10.16 1.46e+00 4.69e-01 4.85e+01 angle pdb=" N LEUC6 97 " pdb=" CA LEUC6 97 " pdb=" C LEUC6 97 " ideal model delta sigma weight residual 110.24 100.08 10.16 1.46e+00 4.69e-01 4.84e+01 ... (remaining 300655 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.54: 126000 16.54 - 33.08: 6360 33.08 - 49.61: 1080 49.61 - 66.15: 180 66.15 - 82.69: 360 Dihedral angle restraints: 133980 sinusoidal: 49860 harmonic: 84120 Sorted by residual: dihedral pdb=" CA ASPCT 139 " pdb=" C ASPCT 139 " pdb=" N ALACT 140 " pdb=" CA ALACT 140 " ideal model delta harmonic sigma weight residual -180.00 -149.92 -30.08 0 5.00e+00 4.00e-02 3.62e+01 dihedral pdb=" CA ASPCQ 139 " pdb=" C ASPCQ 139 " pdb=" N ALACQ 140 " pdb=" CA ALACQ 140 " ideal model delta harmonic sigma weight residual -180.00 -149.93 -30.07 0 5.00e+00 4.00e-02 3.62e+01 dihedral pdb=" CA ASPA8 139 " pdb=" C ASPA8 139 " pdb=" N ALAA8 140 " pdb=" CA ALAA8 140 " ideal model delta harmonic sigma weight residual -180.00 -149.93 -30.07 0 5.00e+00 4.00e-02 3.62e+01 ... (remaining 133977 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.104: 24767 0.104 - 0.207: 9315 0.207 - 0.311: 1558 0.311 - 0.414: 120 0.414 - 0.518: 120 Chirality restraints: 35880 Sorted by residual: chirality pdb=" CA GLUDJ 110 " pdb=" N GLUDJ 110 " pdb=" C GLUDJ 110 " pdb=" CB GLUDJ 110 " both_signs ideal model delta sigma weight residual False 2.51 1.99 0.52 2.00e-01 2.50e+01 6.70e+00 chirality pdb=" CA GLUBS 110 " pdb=" N GLUBS 110 " pdb=" C GLUBS 110 " pdb=" CB GLUBS 110 " both_signs ideal model delta sigma weight residual False 2.51 1.99 0.52 2.00e-01 2.50e+01 6.70e+00 chirality pdb=" CA GLUAG 110 " pdb=" N GLUAG 110 " pdb=" C GLUAG 110 " pdb=" CB GLUAG 110 " both_signs ideal model delta sigma weight residual False 2.51 1.99 0.52 2.00e-01 2.50e+01 6.70e+00 ... (remaining 35877 not shown) Planarity restraints: 38040 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C VAL m 162 " -0.058 5.00e-02 4.00e+02 8.87e-02 1.26e+01 pdb=" N PRO m 163 " 0.153 5.00e-02 4.00e+02 pdb=" CA PRO m 163 " -0.049 5.00e-02 4.00e+02 pdb=" CD PRO m 163 " -0.046 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C VAL J 162 " 0.058 5.00e-02 4.00e+02 8.87e-02 1.26e+01 pdb=" N PRO J 163 " -0.153 5.00e-02 4.00e+02 pdb=" CA PRO J 163 " 0.049 5.00e-02 4.00e+02 pdb=" CD PRO J 163 " 0.046 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C VALA2 162 " -0.058 5.00e-02 4.00e+02 8.86e-02 1.26e+01 pdb=" N PROA2 163 " 0.153 5.00e-02 4.00e+02 pdb=" CA PROA2 163 " -0.049 5.00e-02 4.00e+02 pdb=" CD PROA2 163 " -0.046 5.00e-02 4.00e+02 ... (remaining 38037 not shown) Histogram of nonbonded interaction distances: 0.28 - 1.20: 1500 1.20 - 2.13: 6422 2.13 - 3.05: 164401 3.05 - 3.98: 540305 3.98 - 4.90: 950531 Warning: very small nonbonded interaction distances. Nonbonded interactions: 1663159 Sorted by model distance: nonbonded pdb=" C ILEBX 31 " pdb=" OE2 GLUB1 33 " model vdw 0.277 3.270 nonbonded pdb=" OE2 GLU 6 33 " pdb=" C ILE h 31 " model vdw 0.277 3.270 nonbonded pdb=" C ILECR 31 " pdb=" OE2 GLUCV 33 " model vdw 0.277 3.270 nonbonded pdb=" C ILEA9 31 " pdb=" OE2 GLUBD 33 " model vdw 0.277 3.270 nonbonded pdb=" C ILEBI 31 " pdb=" OE2 GLUBM 33 " model vdw 0.277 3.270 ... (remaining 1663154 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = (chain '0' and resid 41 through 189) selection = chain '1' selection = (chain '2' and resid 41 through 189) selection = (chain '3' and resid 41 through 189) selection = chain '4' selection = (chain '5' and resid 41 through 189) selection = (chain '6' and resid 41 through 189) selection = chain '7' selection = (chain '8' and resid 41 through 189) selection = (chain '9' and resid 41 through 189) selection = chain 'A' selection = (chain 'A0' and resid 41 through 189) selection = (chain 'A1' and resid 41 through 189) selection = chain 'A2' selection = (chain 'A3' and resid 41 through 189) selection = (chain 'A4' and resid 41 through 189) selection = chain 'A5' selection = (chain 'A6' and resid 41 through 189) selection = (chain 'A7' and resid 41 through 189) selection = chain 'A8' selection = (chain 'A9' and resid 41 through 189) selection = (chain 'AA' and resid 41 through 189) selection = chain 'AB' selection = (chain 'AC' and resid 41 through 189) selection = (chain 'AD' and resid 41 through 189) selection = chain 'AE' selection = (chain 'AF' and resid 41 through 189) selection = (chain 'AG' and resid 41 through 189) selection = chain 'AH' selection = (chain 'AI' and resid 41 through 189) selection = (chain 'AJ' and resid 41 through 189) selection = chain 'AK' selection = (chain 'AL' and resid 41 through 189) selection = (chain 'AM' and resid 41 through 189) selection = chain 'AN' selection = (chain 'AO' and resid 41 through 189) selection = (chain 'AP' and resid 41 through 189) selection = chain 'AQ' selection = (chain 'AR' and resid 41 through 189) selection = (chain 'AS' and resid 41 through 189) selection = chain 'AT' selection = (chain 'AU' and resid 41 through 189) selection = (chain 'AV' and resid 41 through 189) selection = chain 'AW' selection = (chain 'AX' and resid 41 through 189) selection = (chain 'AY' and resid 41 through 189) selection = chain 'AZ' selection = (chain 'B' and resid 41 through 189) selection = (chain 'B0' and resid 41 through 189) selection = (chain 'B1' and resid 41 through 189) selection = chain 'B2' selection = (chain 'B3' and resid 41 through 189) selection = (chain 'B4' and resid 41 through 189) selection = chain 'B5' selection = (chain 'B6' and resid 41 through 189) selection = (chain 'B7' and resid 41 through 189) selection = chain 'B8' selection = (chain 'B9' and resid 41 through 189) selection = (chain 'BA' and resid 41 through 189) selection = chain 'BB' selection = (chain 'BC' and resid 41 through 189) selection = (chain 'BD' and resid 41 through 189) selection = chain 'BE' selection = (chain 'BF' and resid 41 through 189) selection = (chain 'BG' and resid 41 through 189) selection = chain 'BH' selection = (chain 'BI' and resid 41 through 189) selection = (chain 'BJ' and resid 41 through 189) selection = chain 'BK' selection = (chain 'BL' and resid 41 through 189) selection = (chain 'BM' and resid 41 through 189) selection = chain 'BN' selection = (chain 'BO' and resid 41 through 189) selection = (chain 'BP' and resid 41 through 189) selection = chain 'BQ' selection = (chain 'BR' and resid 41 through 189) selection = (chain 'BS' and resid 41 through 189) selection = chain 'BT' selection = (chain 'BU' and resid 41 through 189) selection = (chain 'BV' and resid 41 through 189) selection = chain 'BW' selection = (chain 'BX' and resid 41 through 189) selection = (chain 'BY' and resid 41 through 189) selection = chain 'BZ' selection = (chain 'C' and resid 41 through 189) selection = (chain 'C0' and resid 41 through 189) selection = (chain 'C1' and resid 41 through 189) selection = chain 'C2' selection = (chain 'C3' and resid 41 through 189) selection = (chain 'C4' and resid 41 through 189) selection = chain 'C5' selection = (chain 'C6' and resid 41 through 189) selection = (chain 'C7' and resid 41 through 189) selection = chain 'C8' selection = (chain 'C9' and resid 41 through 189) selection = (chain 'CA' and resid 41 through 189) selection = chain 'CB' selection = (chain 'CC' and resid 41 through 189) selection = (chain 'CD' and resid 41 through 189) selection = chain 'CE' selection = (chain 'CF' and resid 41 through 189) selection = (chain 'CG' and resid 41 through 189) selection = chain 'CH' selection = (chain 'CI' and resid 41 through 189) selection = (chain 'CJ' and resid 41 through 189) selection = chain 'CK' selection = (chain 'CL' and resid 41 through 189) selection = (chain 'CM' and resid 41 through 189) selection = chain 'CN' selection = (chain 'CO' and resid 41 through 189) selection = (chain 'CP' and resid 41 through 189) selection = chain 'CQ' selection = (chain 'CR' and resid 41 through 189) selection = (chain 'CS' and resid 41 through 189) selection = chain 'CT' selection = (chain 'CU' and resid 41 through 189) selection = (chain 'CV' and resid 41 through 189) selection = chain 'CW' selection = (chain 'CX' and resid 41 through 189) selection = (chain 'CY' and resid 41 through 189) selection = chain 'CZ' selection = chain 'D' selection = (chain 'DA' and resid 41 through 189) selection = chain 'DB' selection = (chain 'DC' and resid 41 through 189) selection = (chain 'DD' and resid 41 through 189) selection = chain 'DE' selection = (chain 'DF' and resid 41 through 189) selection = (chain 'DG' and resid 41 through 189) selection = chain 'DH' selection = (chain 'DI' and resid 41 through 189) selection = (chain 'DJ' and resid 41 through 189) selection = (chain 'E' and resid 41 through 189) selection = (chain 'F' and resid 41 through 189) selection = chain 'G' selection = (chain 'H' and resid 41 through 189) selection = (chain 'I' and resid 41 through 189) selection = chain 'J' selection = (chain 'K' and resid 41 through 189) selection = (chain 'L' and resid 41 through 189) selection = chain 'M' selection = (chain 'N' and resid 41 through 189) selection = (chain 'O' and resid 41 through 189) selection = chain 'P' selection = (chain 'Q' and resid 41 through 189) selection = (chain 'R' and resid 41 through 189) selection = chain 'S' selection = (chain 'T' and resid 41 through 189) selection = (chain 'U' and resid 41 through 189) selection = chain 'V' selection = (chain 'W' and resid 41 through 189) selection = (chain 'X' and resid 41 through 189) selection = chain 'Y' selection = (chain 'Z' and resid 41 through 189) selection = chain 'a' selection = (chain 'b' and resid 41 through 189) selection = (chain 'c' and resid 41 through 189) selection = chain 'd' selection = (chain 'e' and resid 41 through 189) selection = (chain 'f' and resid 41 through 189) selection = chain 'g' selection = (chain 'h' and resid 41 through 189) selection = (chain 'i' and resid 41 through 189) selection = chain 'j' selection = (chain 'k' and resid 41 through 189) selection = (chain 'l' and resid 41 through 189) selection = chain 'm' selection = (chain 'n' and resid 41 through 189) selection = (chain 'o' and resid 41 through 189) selection = chain 'p' selection = (chain 'q' and resid 41 through 189) selection = (chain 'r' and resid 41 through 189) selection = chain 's' selection = (chain 't' and resid 41 through 189) selection = (chain 'u' and resid 41 through 189) selection = chain 'v' selection = (chain 'w' and resid 41 through 189) selection = (chain 'x' and resid 41 through 189) selection = chain 'y' selection = (chain 'z' and resid 41 through 189) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 540 5.16 5 C 139380 2.51 5 N 36660 2.21 5 O 40500 1.98 5 sf(0) = scattering factor at diffraction angle 0. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.760 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.220 Extract box with map and model: 29.220 Check model and map are aligned: 2.270 Convert atoms to be neutral: 1.340 Process input model: 477.970 Find NCS groups from input model: 12.540 Set up NCS constraints: 0.620 Set refine NCS operators: 0.000 Set scattering table: 0.050 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.030 Load rotamer database and sin/cos tables:1.990 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 530.020 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7752 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 : 0.014 0.060 221100 Z= 0.941 Angle : 1.651 13.066 300660 Z= 1.043 Chirality : 0.107 0.518 35880 Planarity : 0.008 0.089 38040 Dihedral : 11.812 82.690 79260 Min Nonbonded Distance : 0.277 Molprobity Statistics. All-atom Clashscore : 35.58 Ramachandran Plot: Outliers : 2.75 % Allowed : 11.38 % Favored : 85.86 % Rotamer Outliers : 1.88 % Cbeta Deviations : 0.44 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.44 % Twisted Proline : 0.00 % Twisted General : 0.18 % 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: -1.51 (0.05), residues: 28320 helix: -4.72 (0.04), residues: 1500 sheet: -3.63 (0.04), residues: 6480 loop : 0.37 (0.05), residues: 20340 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 10893 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 420 poor density : 10473 time to evaluate : 15.962 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 420 outliers final: 122 residues processed: 10725 average time/residue: 1.6757 time to fit residues: 31406.4890 Evaluate side-chains 6622 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 122 poor density : 6500 time to evaluate : 16.264 Switching outliers to nearest non-outliers outliers start: 122 outliers final: 0 residues processed: 122 average time/residue: 1.2713 time to fit residues: 324.9903 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2760 random chunks: chunk 2330 optimal weight: 6.9990 chunk 2091 optimal weight: 6.9990 chunk 1160 optimal weight: 2.9990 chunk 714 optimal weight: 6.9990 chunk 1411 optimal weight: 0.0970 chunk 1117 optimal weight: 5.9990 chunk 2163 optimal weight: 5.9990 chunk 837 optimal weight: 2.9990 chunk 1315 optimal weight: 0.9980 chunk 1610 optimal weight: 4.9990 chunk 2506 optimal weight: 5.9990 overall best weight: 2.4184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 67 ASN ** A 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 114 GLN A 175 HIS B 39 GLN B 114 GLN B 153 GLN ** C 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 153 GLN D 114 GLN D 175 HIS E 39 GLN E 114 GLN E 153 GLN F 120 GLN F 175 HIS ** G 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 114 GLN G 175 HIS H 114 GLN H 153 GLN I 120 GLN J 67 ASN J 114 GLN J 175 HIS K 39 GLN K 114 GLN K 153 GLN L 120 GLN L 153 GLN M 67 ASN M 114 GLN M 175 HIS N 39 GLN N 114 GLN N 153 GLN O 39 GLN O 120 GLN O 175 HIS P 67 ASN ** P 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 114 GLN P 175 HIS Q 114 GLN Q 153 GLN ** R 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 114 GLN S 175 HIS T 39 GLN T 114 GLN T 153 GLN U 39 GLN ** U 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 67 ASN V 114 GLN V 175 HIS W 39 GLN W 114 GLN W 153 GLN X 120 GLN Y 114 GLN Y 175 HIS Z 39 GLN Z 114 GLN 0 39 GLN 0 120 GLN 0 175 HIS 1 114 GLN 1 175 HIS 2 39 GLN 2 114 GLN 3 120 GLN 3 175 HIS 4 114 GLN 4 175 HIS 5 114 GLN 5 153 GLN 6 175 HIS 7 114 GLN 7 153 GLN 7 175 HIS 8 39 GLN 8 114 GLN 8 153 GLN 9 39 GLN 9 120 GLN 9 151 ASN a 114 GLN a 175 HIS b 114 GLN c 120 GLN d 67 ASN d 114 GLN d 175 HIS ** e 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 39 GLN e 114 GLN e 153 GLN f 120 GLN f 153 GLN ** g 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 175 HIS h 39 GLN h 114 GLN h 153 GLN ** i 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 175 HIS ** j 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 114 GLN j 175 HIS k 114 GLN k 153 GLN l 39 GLN l 120 GLN l 175 HIS m 67 ASN m 114 GLN m 175 HIS n 39 GLN n 114 GLN n 153 GLN o 120 GLN o 153 GLN p 67 ASN p 114 GLN p 175 HIS q 39 GLN q 114 GLN q 153 GLN r 120 GLN r 175 HIS s 67 ASN ** s 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 114 GLN s 175 HIS t 39 GLN t 114 GLN t 153 GLN u 120 GLN u 153 GLN v 114 GLN v 175 HIS w 39 GLN w 114 GLN w 153 GLN x 120 GLN x 175 HIS y 114 GLN y 175 HIS z 39 GLN z 114 GLN z 153 GLN AA 120 GLN AB 67 ASN ** AB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AB 114 GLN AB 175 HIS AC 114 GLN AC 153 GLN AD 120 GLN AE 114 GLN AE 153 GLN AE 175 HIS ** AF 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AF 39 GLN AF 112 GLN AF 114 GLN AF 153 GLN AG 120 GLN AH 114 GLN AH 175 HIS AI 39 GLN AI 114 GLN AI 153 GLN ** AJ 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 39 GLN ** AJ 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 175 HIS AK 114 GLN AK 175 HIS AL 39 GLN AL 114 GLN AL 153 GLN AM 120 GLN AM 175 HIS AN 114 GLN AN 175 HIS AO 114 GLN AO 153 GLN AP 120 GLN AP 153 GLN AQ 114 GLN AQ 175 HIS AR 114 GLN AS 120 GLN AS 153 GLN ** AS 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AT 114 GLN AT 175 HIS AU 39 GLN AU 114 GLN AU 153 GLN AV 175 HIS AW 114 GLN AW 175 HIS AX 39 GLN AX 112 GLN AX 114 GLN AY 120 GLN AY 175 HIS AZ 114 GLN AZ 175 HIS A0 39 GLN A0 114 GLN A0 153 GLN A1 120 GLN A2 114 GLN A2 153 GLN A2 175 HIS A3 39 GLN A3 114 GLN A3 153 GLN ** A4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4 120 GLN A4 175 HIS A5 82 ASN A5 114 GLN A5 153 GLN A5 175 HIS A6 39 GLN A6 114 GLN A6 153 GLN A7 120 GLN A7 151 ASN A8 114 GLN A8 175 HIS A9 114 GLN A9 153 GLN BA 120 GLN BB 114 GLN BB 175 HIS BC 39 GLN BC 114 GLN BC 153 GLN ** BD 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BD 175 HIS ** BE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BE 114 GLN BE 175 HIS BF 39 GLN BF 114 GLN BG 39 GLN BG 120 GLN BH 114 GLN BH 175 HIS BI 39 GLN BI 114 GLN BI 153 GLN BJ 39 GLN ** BJ 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BJ 175 HIS BK 114 GLN BK 175 HIS BL 39 GLN BL 114 GLN BL 153 GLN BM 120 GLN BN 67 ASN ** BN 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BN 114 GLN BN 175 HIS BO 114 GLN BO 153 GLN BP 120 GLN BQ 114 GLN BQ 153 GLN BQ 175 HIS ** BR 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BR 39 GLN BR 112 GLN BR 114 GLN BR 153 GLN ** BS 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BT 114 GLN BT 175 HIS BU 39 GLN BU 114 GLN BU 153 GLN ** BV 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 39 GLN BV 120 GLN BV 175 HIS ** BW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 175 HIS BX 39 GLN BX 114 GLN BX 153 GLN ** BY 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BY 120 GLN BY 175 HIS BZ 114 GLN BZ 175 HIS B0 114 GLN B0 153 GLN B1 175 HIS B2 114 GLN B2 153 GLN B2 175 HIS B3 39 GLN B3 114 GLN B3 153 GLN B4 39 GLN B4 120 GLN B4 151 ASN B5 114 GLN B5 175 HIS B6 114 GLN B7 120 GLN B8 67 ASN B8 114 GLN B8 175 HIS ** B9 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B9 39 GLN B9 114 GLN B9 153 GLN CA 120 GLN CA 153 GLN CB 114 GLN CB 175 HIS CC 39 GLN CC 112 GLN CC 114 GLN CD 39 GLN ** CD 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CE 114 GLN CE 175 HIS CF 39 GLN CF 114 GLN CF 153 GLN CG 120 GLN CH 114 GLN CH 175 HIS CI 114 GLN CI 153 GLN CJ 120 GLN CJ 153 GLN CK 114 GLN CK 175 HIS CL 114 GLN CM 120 GLN CM 153 GLN ** CM 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CN 114 GLN CN 175 HIS CO 39 GLN CO 114 GLN CO 153 GLN ** CP 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CP 175 HIS CQ 114 GLN CQ 175 HIS CR 114 GLN CR 153 GLN CS 120 GLN CT 114 GLN CT 175 HIS CU 39 GLN CU 114 GLN CU 153 GLN ** CV 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CV 175 HIS ** CW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CW 114 GLN CW 175 HIS CX 39 GLN CX 114 GLN CY 39 GLN CY 120 GLN CZ 114 GLN CZ 153 GLN CZ 175 HIS C0 39 GLN C0 114 GLN C0 153 GLN ** C1 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1 120 GLN C1 175 HIS C2 82 ASN C2 114 GLN C2 153 GLN C2 175 HIS C3 39 GLN C3 114 GLN C3 153 GLN C4 120 GLN C4 151 ASN C5 114 GLN C5 175 HIS C6 39 GLN C6 114 GLN C6 153 GLN C7 39 GLN ** C7 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C8 67 ASN C8 114 GLN C8 175 HIS C9 39 GLN C9 114 GLN C9 153 GLN ** DA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** DA 120 GLN DB 114 GLN DB 175 HIS DC 39 GLN DC 114 GLN DD 120 GLN DD 175 HIS DE 114 GLN DE 175 HIS DF 39 GLN DF 114 GLN DG 120 GLN DG 175 HIS DH 67 ASN ** DH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** DH 114 GLN DH 175 HIS DI 114 GLN DI 153 GLN Total number of N/Q/H flips: 393 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7703 moved from start: 0.4698 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.037 2.065 221100 Z= 2.537 Angle : 0.956 15.585 300660 Z= 0.492 Chirality : 0.052 0.340 35880 Planarity : 0.011 0.246 38040 Dihedral : 11.145 161.308 30600 Min Nonbonded Distance : 2.091 Molprobity Statistics. All-atom Clashscore : 23.06 Ramachandran Plot: Outliers : 1.23 % Allowed : 7.34 % Favored : 91.43 % Rotamer Outliers : 8.05 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.44 % Twisted Proline : 5.26 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.68 (0.05), residues: 28320 helix: -4.16 (0.09), residues: 1080 sheet: -2.78 (0.04), residues: 7800 loop : -0.07 (0.05), residues: 19440 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 10022 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1801 poor density : 8221 time to evaluate : 16.897 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 1801 outliers final: 1003 residues processed: 8963 average time/residue: 1.5933 time to fit residues: 25335.3230 Evaluate side-chains 7065 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1003 poor density : 6062 time to evaluate : 16.175 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 1003 outliers final: 41 residues processed: 1003 average time/residue: 1.4151 time to fit residues: 2668.4268 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2760 random chunks: chunk 1392 optimal weight: 1.9990 chunk 777 optimal weight: 7.9990 chunk 2086 optimal weight: 10.0000 chunk 1706 optimal weight: 7.9990 chunk 691 optimal weight: 10.0000 chunk 2510 optimal weight: 8.9990 chunk 2712 optimal weight: 6.9990 chunk 2236 optimal weight: 9.9990 chunk 2489 optimal weight: 8.9990 chunk 856 optimal weight: 10.0000 chunk 2014 optimal weight: 2.9990 overall best weight: 5.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 82 ASN C 28 GLN C 175 HIS F 39 GLN ** F 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 151 ASN ** F 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 82 ASN I 28 GLN I 39 GLN ** I 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 175 HIS ** J 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 175 HIS ** M 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 82 ASN Q 175 HIS R 39 GLN R 151 ASN ** R 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 175 HIS S 82 ASN U 151 ASN U 153 GLN U 175 HIS V 67 ASN X 39 GLN X 175 HIS Y 82 ASN Z 153 GLN 1 82 ASN 4 82 ASN 5 112 GLN 6 39 GLN 6 170 HIS ** 7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 151 ASN 9 175 HIS a 67 ASN a 82 ASN c 39 GLN c 175 HIS ** d 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 39 GLN f 82 ASN f 175 HIS ** g 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 114 GLN i 39 GLN j 82 ASN l 28 GLN ** l 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 175 HIS ** p 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 39 GLN s 82 ASN u 28 GLN u 175 HIS ** x 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** x 151 ASN ** x 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 175 HIS AA 151 ASN AA 175 HIS ** AB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 39 GLN AD 175 HIS AF 112 GLN ** AG 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 175 HIS ** AH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AN 82 ASN AN 120 GLN AP 39 GLN AP 175 HIS AQ 67 ASN AQ 82 ASN AQ 120 GLN AR 28 GLN ** AS 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AS 175 HIS AV 39 GLN ** AV 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AW 67 ASN AW 82 ASN ** AW 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AY 39 GLN AY 151 ASN ** AZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A1 175 HIS A2 67 ASN ** A2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4 39 GLN A5 153 GLN A7 28 GLN A7 39 GLN A7 151 ASN A7 175 HIS ** A8 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A9 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BA 175 HIS BB 82 ASN BD 39 GLN ** BE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BE 153 GLN ** BG 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BG 175 HIS ** BH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BL 175 HIS BM 151 ASN BM 175 HIS ** BN 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BP 175 HIS BR 112 GLN BS 175 HIS ** BT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 114 GLN BY 39 GLN BZ 82 ASN B0 112 GLN B1 170 HIS ** B2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4 151 ASN B4 175 HIS B5 67 ASN B5 82 ASN B7 175 HIS ** B8 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CA 82 ASN CA 175 HIS CB 82 ASN ** CB 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CD 151 ASN CD 175 HIS ** CE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CG 175 HIS CH 82 ASN CH 120 GLN CJ 39 GLN CJ 175 HIS CK 67 ASN CK 82 ASN CK 120 GLN ** CM 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CM 175 HIS CP 39 GLN ** CP 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CQ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CR 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CS 175 HIS CT 82 ASN CV 39 GLN ** CW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CW 153 GLN ** CY 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CY 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CY 175 HIS CZ 67 ASN ** CZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2 153 GLN C3 175 HIS C4 28 GLN C4 39 GLN C4 151 ASN C4 175 HIS C5 82 ASN C7 151 ASN C7 153 GLN C7 175 HIS C8 67 ASN ** DA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** DA 175 HIS DB 82 ASN DC 153 GLN DE 82 ASN DH 82 ASN DI 175 HIS DJ 151 ASN ** DJ 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** DJ 175 HIS Total number of N/Q/H flips: 138 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7836 moved from start: 0.6010 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.037 2.049 221100 Z= 2.535 Angle : 0.979 15.967 300660 Z= 0.510 Chirality : 0.051 0.335 35880 Planarity : 0.008 0.121 38040 Dihedral : 11.678 179.893 30600 Min Nonbonded Distance : 2.204 Molprobity Statistics. All-atom Clashscore : 22.66 Ramachandran Plot: Outliers : 1.08 % Allowed : 7.67 % Favored : 91.25 % Rotamer Outliers : 7.04 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.44 % Twisted Proline : 5.00 % Twisted General : 0.04 % 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: -1.93 (0.05), residues: 28320 helix: -4.23 (0.08), residues: 1500 sheet: -2.64 (0.05), residues: 7500 loop : -0.36 (0.05), residues: 19320 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 7954 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1575 poor density : 6379 time to evaluate : 16.698 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 1575 outliers final: 934 residues processed: 7300 average time/residue: 1.5725 time to fit residues: 20515.9581 Evaluate side-chains 6150 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 934 poor density : 5216 time to evaluate : 16.213 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 934 outliers final: 45 residues processed: 934 average time/residue: 1.3635 time to fit residues: 2455.7571 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2760 random chunks: chunk 2480 optimal weight: 0.8980 chunk 1887 optimal weight: 5.9990 chunk 1303 optimal weight: 0.0170 chunk 277 optimal weight: 4.9990 chunk 1198 optimal weight: 10.0000 chunk 1686 optimal weight: 20.0000 chunk 2519 optimal weight: 3.9990 chunk 2667 optimal weight: 0.9990 chunk 1316 optimal weight: 6.9990 chunk 2388 optimal weight: 3.9990 chunk 718 optimal weight: 5.9990 overall best weight: 1.9824 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 175 HIS C 39 GLN ** C 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 151 ASN D 120 GLN E 175 HIS ** F 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 175 HIS I 28 GLN ** I 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 175 HIS ** M 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 175 HIS U 39 GLN V 67 ASN ** V 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 175 HIS X 151 ASN Z 175 HIS 0 153 GLN ** 2 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 175 HIS 3 75 HIS 4 120 GLN 5 175 HIS 7 82 ASN b 175 HIS ** d 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 175 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** f 151 ASN f 153 GLN ** g 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 175 HIS j 67 ASN k 175 HIS l 28 GLN ** l 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 175 HIS ** p 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 175 HIS t 175 HIS u 39 GLN ** u 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 151 ASN v 120 GLN w 175 HIS ** x 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 120 GLN AA 39 GLN AA 151 ASN AA 170 HIS AB 82 ASN AB 120 GLN AC 175 HIS AE 120 GLN AF 175 HIS AG 153 GLN ** AG 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AH 120 GLN ** AJ 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AL 175 HIS AM 39 GLN AM 151 ASN AN 120 GLN ** AO 175 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 82 ASN AR 175 HIS AT 120 GLN AU 175 HIS ** AV 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AX 153 GLN AX 175 HIS AY 151 ASN ** AZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A0 175 HIS A1 39 GLN A1 151 ASN ** A2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A3 175 HIS A4 151 ASN A6 175 HIS A7 151 ASN A8 82 ASN A8 120 GLN A9 175 HIS BA 120 GLN ** BB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BB 120 GLN BC 175 HIS BE 82 ASN ** BG 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BG 120 GLN ** BG 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BI 175 HIS BJ 112 GLN BK 120 GLN BM 39 GLN BM 151 ASN BM 170 HIS BN 82 ASN BN 120 GLN BO 175 HIS BQ 120 GLN BR 175 HIS BS 153 GLN ** BS 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BT 120 GLN BV 39 GLN BV 151 ASN ** BV 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 82 ASN BX 175 HIS BZ 120 GLN B0 175 HIS ** B1 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2 82 ASN B6 175 HIS B7 39 GLN ** B8 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B9 175 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 151 ASN CA 153 GLN ** CB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CC 153 GLN CC 175 HIS CD 39 GLN CD 151 ASN ** CE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CF 175 HIS CG 39 GLN CG 151 ASN CH 120 GLN ** CI 175 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CK 82 ASN CL 175 HIS CN 120 GLN CO 175 HIS ** CP 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CP 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CQ 82 ASN CQ 120 GLN CR 175 HIS ** CS 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CT 120 GLN CU 175 HIS CW 82 ASN ** CY 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CY 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CY 120 GLN ** CY 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C0 175 HIS C1 151 ASN C7 39 GLN C7 75 HIS ** C7 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C8 67 ASN ** C8 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C9 175 HIS DA 151 ASN DC 175 HIS DD 39 GLN DD 153 GLN ** DF 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** DF 175 HIS DJ 39 GLN Total number of N/Q/H flips: 126 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7762 moved from start: 0.6527 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.037 2.047 221100 Z= 2.490 Angle : 0.803 15.912 300660 Z= 0.408 Chirality : 0.047 0.370 35880 Planarity : 0.006 0.106 38040 Dihedral : 11.183 179.921 30600 Min Nonbonded Distance : 2.179 Molprobity Statistics. All-atom Clashscore : 18.81 Ramachandran Plot: Outliers : 1.08 % Allowed : 5.56 % Favored : 93.36 % Rotamer Outliers : 5.24 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.44 % Twisted Proline : 4.39 % 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: -1.52 (0.05), residues: 28320 helix: -5.00 (0.04), residues: 1140 sheet: -2.10 (0.05), residues: 7380 loop : -0.23 (0.05), residues: 19800 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 7355 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1173 poor density : 6182 time to evaluate : 16.406 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 1173 outliers final: 606 residues processed: 6702 average time/residue: 1.5614 time to fit residues: 18799.7787 Evaluate side-chains 5920 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 606 poor density : 5314 time to evaluate : 16.240 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 606 outliers final: 50 residues processed: 606 average time/residue: 1.3498 time to fit residues: 1592.9975 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2760 random chunks: chunk 2221 optimal weight: 10.0000 chunk 1514 optimal weight: 8.9990 chunk 38 optimal weight: 6.9990 chunk 1986 optimal weight: 20.0000 chunk 1100 optimal weight: 10.0000 chunk 2276 optimal weight: 3.9990 chunk 1844 optimal weight: 9.9990 chunk 3 optimal weight: 20.0000 chunk 1362 optimal weight: 10.0000 chunk 2394 optimal weight: 9.9990 chunk 673 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: ** A 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 175 HIS ** D 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 175 HIS G 82 ASN H 175 HIS ** J 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 175 HIS ** M 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 28 GLN N 175 HIS O 75 HIS O 82 ASN O 151 ASN P 82 ASN S 82 ASN T 175 HIS ** U 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 175 HIS X 151 ASN Y 82 ASN Z 28 GLN Z 175 HIS 0 151 ASN 1 82 ASN 2 175 HIS 3 39 GLN 4 82 ASN 4 120 GLN 5 175 HIS 6 112 GLN 7 82 ASN 8 175 HIS 9 39 GLN 9 151 ASN a 82 ASN b 175 HIS d 82 ASN e 153 GLN e 175 HIS f 39 GLN ** f 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 82 ASN h 175 HIS j 82 ASN k 175 HIS ** m 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 175 HIS ** p 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 28 GLN q 175 HIS r 75 HIS r 82 ASN r 151 ASN ** s 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 175 HIS ** v 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 175 HIS x 39 GLN x 75 HIS z 175 HIS ** AA 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AB 120 GLN AC 175 HIS ** AD 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AF 175 HIS AG 39 GLN AG 170 HIS AH 67 ASN ** AH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AL 175 HIS AM 151 ASN AN 82 ASN AO 175 HIS AQ 82 ASN AR 175 HIS AS 39 GLN AU 175 HIS ** AV 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AX 153 GLN AX 175 HIS AY 39 GLN ** AZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A0 175 HIS A1 151 ASN ** A2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A3 175 HIS A4 39 GLN A4 151 ASN A4 153 GLN ** A5 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A6 175 HIS A7 151 ASN ** A9 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A9 175 HIS BA 39 GLN ** BB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BC 175 HIS ** BE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BG 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BG 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BG 151 ASN ** BH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BI 175 HIS BJ 39 GLN BL 175 HIS ** BM 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BN 120 GLN BO 175 HIS ** BP 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BR 175 HIS BS 170 HIS BT 67 ASN ** BT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 39 GLN BW 67 ASN BW 82 ASN BX 175 HIS BZ 82 ASN BZ 120 GLN B0 175 HIS B1 39 GLN B1 112 GLN B2 82 ASN B3 175 HIS ** B4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B5 82 ASN B6 28 GLN B6 175 HIS B8 82 ASN B9 153 GLN B9 175 HIS ** CA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CC 153 GLN CC 175 HIS CD 39 GLN ** CE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CF 175 HIS CG 28 GLN CG 151 ASN CH 82 ASN CI 175 HIS CK 82 ASN CL 175 HIS ** CP 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CR 175 HIS CS 39 GLN ** CT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CU 175 HIS ** CW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CY 151 ASN ** CZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C0 175 HIS C1 151 ASN C1 153 GLN ** C2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C3 175 HIS ** C4 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4 151 ASN C5 82 ASN C6 175 HIS C7 39 GLN C9 175 HIS ** DA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** DA 151 ASN DB 82 ASN DC 175 HIS DD 151 ASN DE 82 ASN DF 175 HIS DG 39 GLN DG 151 ASN DH 82 ASN Total number of N/Q/H flips: 137 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7897 moved from start: 0.6979 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.037 2.052 221100 Z= 2.538 Angle : 0.968 17.810 300660 Z= 0.499 Chirality : 0.052 0.427 35880 Planarity : 0.007 0.122 38040 Dihedral : 11.650 179.964 30600 Min Nonbonded Distance : 2.107 Molprobity Statistics. All-atom Clashscore : 22.36 Ramachandran Plot: Outliers : 1.14 % Allowed : 8.70 % Favored : 90.16 % Rotamer Outliers : 6.91 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.44 % Twisted Proline : 0.88 % 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: -2.00 (0.05), residues: 28320 helix: -4.96 (0.05), residues: 1500 sheet: -2.27 (0.05), residues: 8460 loop : -0.42 (0.05), residues: 18360 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6816 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1546 poor density : 5270 time to evaluate : 20.920 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 1546 outliers final: 776 residues processed: 6165 average time/residue: 1.6143 time to fit residues: 17752.3210 Evaluate side-chains 5552 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 776 poor density : 4776 time to evaluate : 16.358 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 776 outliers final: 51 residues processed: 776 average time/residue: 1.3755 time to fit residues: 2039.8361 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2760 random chunks: chunk 897 optimal weight: 4.9990 chunk 2402 optimal weight: 0.9980 chunk 527 optimal weight: 8.9990 chunk 1566 optimal weight: 9.9990 chunk 658 optimal weight: 0.0980 chunk 2670 optimal weight: 0.4980 chunk 2216 optimal weight: 5.9990 chunk 1236 optimal weight: 8.9990 chunk 222 optimal weight: 6.9990 chunk 883 optimal weight: 20.0000 chunk 1401 optimal weight: 8.9990 overall best weight: 2.5184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 75 HIS J 82 ASN ** J 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 114 GLN X 151 ASN 0 151 ASN 4 120 GLN ** 7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 39 GLN f 39 GLN ** f 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 170 HIS ** m 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AA 75 HIS AA 151 ASN ** AA 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AB 82 ASN AB 120 GLN ** AD 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 67 ASN ** AE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 170 HIS ** AH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 39 GLN ** AK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AP 39 GLN AQ 82 ASN ** AV 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AX 153 GLN ** AZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A1 28 GLN ** A2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A5 82 ASN A8 67 ASN A8 82 ASN ** BA 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BB 120 GLN BD 75 HIS ** BE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BG 39 GLN BG 151 ASN ** BH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BJ 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BM 75 HIS BM 151 ASN ** BM 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BN 82 ASN BN 120 GLN ** BP 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BP 151 ASN BQ 67 ASN ** BQ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BS 39 GLN BS 170 HIS ** BT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BT 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 75 HIS BZ 120 GLN ** B2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4 39 GLN ** CA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CA 170 HIS ** CB 67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CC 153 GLN ** CE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CJ 39 GLN CK 82 ASN ** CP 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CQ 67 ASN CQ 82 ASN ** CT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CT 120 GLN CV 75 HIS ** CW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CX 175 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CY 39 GLN CY 151 ASN ** CZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1 39 GLN C2 82 ASN ** C7 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C8 114 GLN DA 151 ASN Total number of N/Q/H flips: 52 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7811 moved from start: 0.7240 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.037 2.048 221100 Z= 2.496 Angle : 0.809 15.629 300660 Z= 0.409 Chirality : 0.047 0.426 35880 Planarity : 0.006 0.133 38040 Dihedral : 11.109 179.965 30600 Min Nonbonded Distance : 2.184 Molprobity Statistics. All-atom Clashscore : 18.85 Ramachandran Plot: Outliers : 1.16 % Allowed : 5.66 % Favored : 93.18 % Rotamer Outliers : 4.38 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.44 % Twisted Proline : 2.19 % 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: -1.54 (0.05), residues: 28320 helix: -4.62 (0.07), residues: 1140 sheet: -1.91 (0.05), residues: 8160 loop : -0.27 (0.05), residues: 19020 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6805 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 981 poor density : 5824 time to evaluate : 16.368 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 981 outliers final: 537 residues processed: 6278 average time/residue: 1.6056 time to fit residues: 18252.6263 Evaluate side-chains 5689 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 537 poor density : 5152 time to evaluate : 16.254 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 537 outliers final: 49 residues processed: 537 average time/residue: 1.3958 time to fit residues: 1463.9809 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2760 random chunks: chunk 2574 optimal weight: 10.0000 chunk 300 optimal weight: 10.0000 chunk 1521 optimal weight: 2.9990 chunk 1950 optimal weight: 0.9990 chunk 1510 optimal weight: 7.9990 chunk 2247 optimal weight: 9.9990 chunk 1491 optimal weight: 8.9990 chunk 2660 optimal weight: 3.9990 chunk 1664 optimal weight: 10.0000 chunk 1621 optimal weight: 10.0000 chunk 1228 optimal weight: 9.9990 overall best weight: 4.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 82 ASN F 170 HIS G 82 ASN G 114 GLN J 114 GLN ** M 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 39 GLN O 28 GLN ** O 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 170 HIS R 39 GLN S 82 ASN ** U 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 82 ASN Z 28 GLN ** 0 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 1 82 ASN 4 82 ASN ** 6 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 114 GLN ** 9 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 114 GLN g 82 ASN j 82 ASN j 114 GLN m 82 ASN m 114 GLN ** p 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 39 GLN ** r 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 82 ASN x 170 HIS ** y 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 151 ASN ** AB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AB 120 GLN ** AD 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 153 GLN ** AH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AN 82 ASN ** AP 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 114 GLN ** AT 67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 170 HIS ** AW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AX 153 GLN AY 39 GLN ** AZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A3 39 GLN A3 75 HIS ** A4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A7 151 ASN ** BB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BB 114 GLN ** BE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BG 151 ASN BG 153 GLN ** BH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BJ 39 GLN ** BK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BM 151 ASN ** BN 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BN 120 GLN ** BP 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 39 GLN BW 82 ASN BZ 82 ASN ** B1 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2 114 GLN ** B4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B5 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B8 114 GLN ** CB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CC 153 GLN CD 39 GLN ** CE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CG 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CH 82 ASN ** CJ 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CK 114 GLN CP 170 HIS ** CT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CT 114 GLN ** CW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CY 151 ASN ** CZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C0 39 GLN C0 75 HIS ** C1 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4 151 ASN C5 82 ASN ** C7 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** DB 82 ASN DE 82 ASN ** DG 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** DH 82 ASN Total number of N/Q/H flips: 60 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7832 moved from start: 0.7295 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.037 2.071 221100 Z= 2.516 Angle : 0.885 73.900 300660 Z= 0.444 Chirality : 0.048 0.747 35880 Planarity : 0.006 0.146 38040 Dihedral : 11.078 179.946 30600 Min Nonbonded Distance : 2.018 Molprobity Statistics. All-atom Clashscore : 20.31 Ramachandran Plot: Outliers : 1.18 % Allowed : 6.26 % Favored : 92.56 % Rotamer Outliers : 3.52 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.44 % Twisted Proline : 1.23 % 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: -1.58 (0.05), residues: 28320 helix: -4.59 (0.07), residues: 1140 sheet: -1.89 (0.05), residues: 8160 loop : -0.34 (0.05), residues: 19020 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6007 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 788 poor density : 5219 time to evaluate : 16.612 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 788 outliers final: 499 residues processed: 5543 average time/residue: 1.5242 time to fit residues: 15286.3120 Evaluate side-chains 5502 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 499 poor density : 5003 time to evaluate : 16.269 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 499 outliers final: 45 residues processed: 499 average time/residue: 1.3784 time to fit residues: 1332.2481 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2760 random chunks: chunk 1645 optimal weight: 0.0770 chunk 1062 optimal weight: 9.9990 chunk 1588 optimal weight: 4.9990 chunk 801 optimal weight: 10.0000 chunk 522 optimal weight: 7.9990 chunk 515 optimal weight: 9.9990 chunk 1691 optimal weight: 2.9990 chunk 1812 optimal weight: 7.9990 chunk 1315 optimal weight: 9.9990 chunk 247 optimal weight: 8.9990 chunk 2090 optimal weight: 6.9990 overall best weight: 4.6146 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 114 GLN ** J 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 170 HIS P 82 ASN R 39 GLN R 151 ASN S 82 ASN ** U 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 151 ASN 0 151 ASN ** 3 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 114 GLN ** 9 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 114 GLN ** i 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 151 ASN j 114 GLN ** m 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 170 HIS ** s 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 75 HIS ** y 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 120 GLN AA 151 ASN ** AB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AB 114 GLN AB 120 GLN ** AD 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 39 GLN AG 151 ASN ** AH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 175 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AP 151 ASN AQ 82 ASN ** AQ 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 75 HIS ** AW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AX 153 GLN ** AY 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A5 82 ASN ** A7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A7 151 ASN A8 82 ASN BA 28 GLN ** BA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BA 151 ASN ** BB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BB 114 GLN ** BE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BF 175 HIS BG 151 ASN ** BH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BJ 39 GLN ** BJ 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BM 151 ASN ** BN 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BN 114 GLN BN 120 GLN ** BP 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BS 151 ASN ** BT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 175 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BY 151 ASN ** B1 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2 114 GLN ** B4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B5 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B7 151 ASN B8 114 GLN ** CB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CC 153 GLN ** CE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CG 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CJ 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CJ 151 ASN CK 82 ASN ** CK 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CP 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CQ 82 ASN CS 151 ASN ** CT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CT 114 GLN ** CW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CX 175 HIS CY 153 GLN ** CZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2 82 ASN ** C4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4 151 ASN C5 82 ASN ** DA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** DD 151 ASN ** DG 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** DJ 151 ASN Total number of N/Q/H flips: 54 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7833 moved from start: 0.7324 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.036 2.070 221100 Z= 2.467 Angle : 0.882 73.900 300660 Z= 0.444 Chirality : 0.049 1.201 35880 Planarity : 0.006 0.120 38040 Dihedral : 11.086 179.952 30600 Min Nonbonded Distance : 2.021 Molprobity Statistics. All-atom Clashscore : 20.98 Ramachandran Plot: Outliers : 1.21 % Allowed : 6.25 % Favored : 92.54 % Rotamer Outliers : 2.74 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.44 % Twisted Proline : 1.23 % 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: -1.59 (0.05), residues: 28320 helix: -4.57 (0.08), residues: 1140 sheet: -1.88 (0.05), residues: 8160 loop : -0.35 (0.05), residues: 19020 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5735 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 614 poor density : 5121 time to evaluate : 16.721 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 614 outliers final: 430 residues processed: 5329 average time/residue: 1.5944 time to fit residues: 15364.7314 Evaluate side-chains 5403 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 430 poor density : 4973 time to evaluate : 16.392 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 430 outliers final: 47 residues processed: 430 average time/residue: 1.4756 time to fit residues: 1227.7512 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2760 random chunks: chunk 2419 optimal weight: 9.9990 chunk 2548 optimal weight: 0.4980 chunk 2325 optimal weight: 3.9990 chunk 2478 optimal weight: 0.9990 chunk 2547 optimal weight: 6.9990 chunk 1492 optimal weight: 3.9990 chunk 1079 optimal weight: 9.9990 chunk 1946 optimal weight: 5.9990 chunk 760 optimal weight: 9.9990 chunk 2240 optimal weight: 0.2980 chunk 2344 optimal weight: 0.7980 overall best weight: 1.3184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 82 ASN G 114 GLN ** J 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 170 HIS R 151 ASN S 82 ASN ** U 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 151 ASN Y 82 ASN 0 151 ASN 1 82 ASN ** 3 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 82 ASN 6 151 ASN ** 7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 114 GLN ** 9 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 151 ASN ** a 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 82 ASN ** i 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 82 ASN j 82 ASN j 114 GLN ** m 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 28 GLN r 170 HIS ** s 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AB 114 GLN AB 120 GLN AB 151 ASN ** AD 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 75 HIS ** AK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AN 82 ASN ** AP 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 82 ASN ** AQ 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AX 153 GLN AY 39 GLN ** AZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A5 82 ASN ** BA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BF 175 HIS ** BG 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BG 151 ASN ** BH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BJ 39 GLN BJ 75 HIS ** BK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BM 151 ASN ** BN 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BN 114 GLN BN 120 GLN BN 151 ASN ** BP 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 175 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BW 82 ASN ** BY 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BZ 82 ASN ** B1 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2 114 GLN ** B4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B5 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B7 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CC 153 GLN ** CE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CG 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CH 82 ASN ** CJ 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CK 82 ASN ** CK 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CP 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CP 75 HIS ** CT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CX 175 HIS CY 151 ASN ** CZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2 82 ASN ** C4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4 151 ASN C5 82 ASN C7 39 GLN ** C7 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** DB 82 ASN DD 151 ASN DE 82 ASN ** DG 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** DJ 151 ASN Total number of N/Q/H flips: 53 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7818 moved from start: 0.7358 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.036 2.063 221100 Z= 2.446 Angle : 0.866 73.899 300660 Z= 0.436 Chirality : 0.048 0.785 35880 Planarity : 0.006 0.146 38040 Dihedral : 11.078 179.743 30600 Min Nonbonded Distance : 1.995 Molprobity Statistics. All-atom Clashscore : 20.77 Ramachandran Plot: Outliers : 1.21 % Allowed : 6.05 % Favored : 92.74 % Rotamer Outliers : 2.01 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.44 % Twisted Proline : 1.05 % 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: -1.55 (0.05), residues: 28320 helix: -4.52 (0.08), residues: 1140 sheet: -1.80 (0.06), residues: 7920 loop : -0.38 (0.05), residues: 19260 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5635 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 450 poor density : 5185 time to evaluate : 18.327 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 450 outliers final: 343 residues processed: 5332 average time/residue: 1.6266 time to fit residues: 15770.9804 Evaluate side-chains 5347 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 343 poor density : 5004 time to evaluate : 16.505 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 343 outliers final: 45 residues processed: 343 average time/residue: 1.4580 time to fit residues: 974.9461 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2760 random chunks: chunk 2470 optimal weight: 0.6980 chunk 1627 optimal weight: 9.9990 chunk 2621 optimal weight: 4.9990 chunk 1599 optimal weight: 10.0000 chunk 1243 optimal weight: 8.9990 chunk 1822 optimal weight: 4.9990 chunk 2749 optimal weight: 6.9990 chunk 2530 optimal weight: 20.0000 chunk 2189 optimal weight: 8.9990 chunk 227 optimal weight: 9.9990 chunk 1691 optimal weight: 0.6980 overall best weight: 3.6786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 114 GLN ** J 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 75 HIS O 170 HIS R 151 ASN S 82 ASN ** U 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 0 151 ASN ** 0 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 151 ASN ** 7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 114 GLN ** 9 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 151 ASN ** i 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 114 GLN ** m 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 75 HIS r 170 HIS ** s 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 75 HIS ** y 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 151 ASN ** AB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AB 114 GLN AB 120 GLN AB 151 ASN ** AD 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AY 39 GLN ** AY 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A5 82 ASN ** A7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A8 82 ASN ** BA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BG 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BJ 39 GLN BJ 75 HIS ** BJ 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BN 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BN 114 GLN BN 120 GLN BN 151 ASN ** BP 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 175 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BV 39 GLN ** BY 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2 114 GLN ** B4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B5 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CC 153 GLN ** CE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CG 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CG 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CJ 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CJ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CP 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CQ 82 ASN ** CT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2 82 ASN ** C4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4 151 ASN C5 82 ASN ** C7 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** DA 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** DA 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** DD 151 ASN ** DG 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** DG 151 ASN DJ 151 ASN Total number of N/Q/H flips: 35 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7820 moved from start: 0.7358 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.036 2.087 221100 Z= 2.457 Angle : 0.858 73.877 300660 Z= 0.431 Chirality : 0.047 1.021 35880 Planarity : 0.006 0.149 38040 Dihedral : 11.073 179.798 30600 Min Nonbonded Distance : 1.837 Molprobity Statistics. All-atom Clashscore : 21.72 Ramachandran Plot: Outliers : 1.21 % Allowed : 6.02 % Favored : 92.77 % Rotamer Outliers : 1.37 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.44 % Twisted Proline : 0.96 % 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: -1.55 (0.05), residues: 28320 helix: -4.52 (0.08), residues: 1140 sheet: -1.79 (0.06), residues: 7920 loop : -0.38 (0.05), residues: 19260 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 56640 Ramachandran restraints generated. 28320 Oldfield, 0 Emsley, 28320 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5335 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 307 poor density : 5028 time to evaluate : 18.422 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 307 outliers final: 239 residues processed: 5115 average time/residue: 1.5706 time to fit residues: 14558.2711 Evaluate side-chains 5225 residues out of total 22380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 239 poor density : 4986 time to evaluate : 18.243 Switching outliers to nearest non-outliers revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 239 outliers final: 46 residues processed: 239 average time/residue: 1.4786 time to fit residues: 698.1887 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2760 random chunks: chunk 1342 optimal weight: 20.0000 chunk 1739 optimal weight: 0.4980 chunk 2332 optimal weight: 7.9990 chunk 670 optimal weight: 9.9990 chunk 2018 optimal weight: 9.9990 chunk 323 optimal weight: 6.9990 chunk 608 optimal weight: 10.0000 chunk 2193 optimal weight: 5.9990 chunk 917 optimal weight: 10.0000 chunk 2251 optimal weight: 20.0000 chunk 277 optimal weight: 9.9990 overall best weight: 6.2988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 82 ASN G 114 GLN ** J 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 170 HIS R 151 ASN S 82 ASN ** U 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 82 ASN 0 151 ASN 1 82 ASN ** 3 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 151 ASN 4 82 ASN ** 7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 114 GLN ** 9 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 82 ASN ** i 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 82 ASN j 114 GLN ** m 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 170 HIS ** s 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 151 ASN ** AB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AB 114 GLN AB 120 GLN AB 151 ASN ** AD 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AN 82 ASN ** AP 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AY 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A5 82 ASN ** A7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A7 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BA 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BG 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BG 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BJ 39 GLN ** BJ 170 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BM 151 ASN ** BN 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BN 114 GLN BN 120 GLN BN 151 ASN ** BP 28 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 82 ASN ** BY 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BZ 82 ASN ** B1 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2 114 GLN ** B4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B5 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B7 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B7 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CB 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CC 153 GLN ** CE 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CG 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CH 82 ASN ** CJ 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CJ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CK 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CP 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CS 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CT 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CW 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CZ 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2 82 ASN ** C4 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C5 82 ASN ** C7 39 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C7 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** DA 151 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** DB 82 ASN DD 151 ASN DE 82 ASN ** DG 82 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** DG 151 ASN DJ 151 ASN Total number of N/Q/H flips: 38 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3498 r_free = 0.3498 target = 0.116041 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 36)----------------| | r_work = 0.3252 r_free = 0.3252 target = 0.100181 restraints weight = 445221.706| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 27)----------------| | r_work = 0.3300 r_free = 0.3300 target = 0.103210 restraints weight = 279533.862| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 34)----------------| | r_work = 0.3334 r_free = 0.3334 target = 0.105381 restraints weight = 199468.464| |-----------------------------------------------------------------------------| r_work (final): 0.3330 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7759 moved from start: 0.7363 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.036 2.087 221100 Z= 2.457 Angle : 0.858 73.897 300660 Z= 0.432 Chirality : 0.047 1.019 35880 Planarity : 0.006 0.149 38040 Dihedral : 11.073 179.799 30600 Min Nonbonded Distance : 1.559 Molprobity Statistics. All-atom Clashscore : 22.24 Ramachandran Plot: Outliers : 1.21 % Allowed : 6.02 % Favored : 92.77 % Rotamer Outliers : 0.34 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.44 % Twisted Proline : 0.96 % 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: -1.55 (0.05), residues: 28320 helix: -4.52 (0.08), residues: 1140 sheet: -1.79 (0.06), residues: 7920 loop : -0.38 (0.05), residues: 19260 =============================================================================== Job complete usr+sys time: 217988.94 seconds wall clock time: 3701 minutes 37.46 seconds (222097.46 seconds total)