Starting phenix.real_space_refine (version: 1.21rc1) on Mon Apr 24 08:30:11 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/4uft_2867/04_2023/4uft_2867.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/4uft_2867/04_2023/4uft_2867.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.3 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/4uft_2867/04_2023/4uft_2867.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/4uft_2867/04_2023/4uft_2867.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/4uft_2867/04_2023/4uft_2867.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/4uft_2867/04_2023/4uft_2867.pdb" } resolution = 4.3 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= 0.044 sd= 0.705 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 5 Type Number sf(0) Gaussians P 234 5.49 5 S 468 5.16 5 C 75387 2.51 5 N 20436 2.21 5 O 23322 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped None Time to flip residues: 0.25s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-4938/modules/chem_data/mon_lib" Total number of atoms: 119847 Number of models: 1 Model: "" Number of chains: 78 Chain: "A" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "C" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "D" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "E" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "F" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "G" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "H" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "I" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "J" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "K" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "L" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "M" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "N" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "O" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "P" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "Q" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "S" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "T" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "U" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "V" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "W" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "X" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "Y" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "Z" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "0" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "1" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "2" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "3" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "4" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "5" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "6" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "7" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "8" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "9" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "a" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "b" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "c" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "d" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "B" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "R" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "e" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "f" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "g" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "h" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "i" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "j" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "k" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "l" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "m" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "n" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "o" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "p" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "q" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "r" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "s" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "t" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "u" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "v" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "w" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "x" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "y" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "z" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "AA" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "AB" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "AC" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "AD" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "AE" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "AF" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "AG" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "AH" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "AI" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "AJ" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "AK" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "AL" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "AM" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "AN" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Chain: "AO" Number of atoms: 2953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 377, 2953 Classifications: {'peptide': 377} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 358} Chain breaks: 2 Chain: "AP" Number of atoms: 120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 120 Classifications: {'RNA': 6} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 5} Link IDs: {'rna2p': 1, 'rna3p': 4} Time building chain proxies: 43.33, per 1000 atoms: 0.36 Number of scatterers: 119847 At special positions: 0 Unit cell: (209.922, 209.922, 237.2, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 5 Type Number sf(0) S 468 16.00 P 234 15.00 O 23322 8.00 N 20436 7.00 C 75387 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: 36.13 Conformation dependent library (CDL) restraints added in 13.1 seconds 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 27066 Finding SS restraints... Secondary structure from input PDB file: 585 helices and 39 sheets defined 49.9% alpha, 2.1% beta 0 base pairs and 117 stacking pairs defined. Time for finding SS restraints: 19.35 Creating SS restraints... Processing helix chain 'B' and resid 2 through 11 Processing helix chain 'B' and resid 12 through 15 Processing helix chain 'B' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP B 53 " --> pdb=" O SER B 49 " (cutoff:3.500A) Processing helix chain 'B' and resid 65 through 78 Processing helix chain 'B' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN B 89 " --> pdb=" O GLY B 85 " (cutoff:3.500A) Processing helix chain 'B' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE B 170 " --> pdb=" O ILE B 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN B 173 " --> pdb=" O THR B 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL B 176 " --> pdb=" O ALA B 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL B 178 " --> pdb=" O ILE B 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA B 179 " --> pdb=" O TRP B 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS B 180 " --> pdb=" O VAL B 176 " (cutoff:3.500A) Processing helix chain 'B' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS B 198 " --> pdb=" O ARG B 194 " (cutoff:3.500A) Processing helix chain 'B' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL B 219 " --> pdb=" O TRP B 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG B 222 " --> pdb=" O VAL B 218 " (cutoff:3.500A) Processing helix chain 'B' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET B 233 " --> pdb=" O LEU B 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG B 242 " --> pdb=" O LEU B 238 " (cutoff:3.500A) Processing helix chain 'B' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET B 253 " --> pdb=" O ARG B 249 " (cutoff:3.500A) Processing helix chain 'B' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU B 271 " --> pdb=" O ALA B 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR B 272 " --> pdb=" O SER B 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE B 273 " --> pdb=" O PHE B 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS B 274 " --> pdb=" O ILE B 270 " (cutoff:3.500A) Processing helix chain 'B' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY B 291 " --> pdb=" O HIS B 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU B 292 " --> pdb=" O GLU B 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER B 294 " --> pdb=" O ASP B 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR B 295 " --> pdb=" O GLY B 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU B 297 " --> pdb=" O LEU B 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER B 298 " --> pdb=" O SER B 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU B 302 " --> pdb=" O SER B 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR B 303 " --> pdb=" O LEU B 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN B 304 " --> pdb=" O MET B 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET B 306 " --> pdb=" O LEU B 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY B 307 " --> pdb=" O TYR B 303 " (cutoff:3.500A) Processing helix chain 'B' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE B 320 " --> pdb=" O GLU B 317 " (cutoff:3.500A) Processing helix chain 'B' and resid 329 through 340 Processing helix chain 'B' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU B 364 " --> pdb=" O ALA B 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN B 366 " --> pdb=" O PHE B 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL B 369 " --> pdb=" O GLY B 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG B 370 " --> pdb=" O GLN B 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA B 373 " --> pdb=" O VAL B 369 " (cutoff:3.500A) Processing helix chain 'A' and resid 2 through 11 Processing helix chain 'A' and resid 12 through 15 Processing helix chain 'A' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP A 53 " --> pdb=" O SER A 49 " (cutoff:3.500A) Processing helix chain 'A' and resid 65 through 78 Processing helix chain 'A' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN A 89 " --> pdb=" O GLY A 85 " (cutoff:3.500A) Processing helix chain 'A' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE A 170 " --> pdb=" O ILE A 166 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLN A 173 " --> pdb=" O THR A 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL A 176 " --> pdb=" O ALA A 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL A 178 " --> pdb=" O ILE A 174 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA A 179 " --> pdb=" O TRP A 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS A 180 " --> pdb=" O VAL A 176 " (cutoff:3.500A) Processing helix chain 'A' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS A 198 " --> pdb=" O ARG A 194 " (cutoff:3.500A) Processing helix chain 'A' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL A 219 " --> pdb=" O TRP A 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG A 222 " --> pdb=" O VAL A 218 " (cutoff:3.500A) Processing helix chain 'A' and resid 227 through 242 removed outlier: 3.546A pdb=" N MET A 233 " --> pdb=" O LEU A 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG A 242 " --> pdb=" O LEU A 238 " (cutoff:3.500A) Processing helix chain 'A' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET A 253 " --> pdb=" O ARG A 249 " (cutoff:3.500A) Processing helix chain 'A' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU A 271 " --> pdb=" O ALA A 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR A 272 " --> pdb=" O SER A 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE A 273 " --> pdb=" O PHE A 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS A 274 " --> pdb=" O ILE A 270 " (cutoff:3.500A) Processing helix chain 'A' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY A 291 " --> pdb=" O HIS A 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU A 292 " --> pdb=" O GLU A 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER A 294 " --> pdb=" O ASP A 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR A 295 " --> pdb=" O GLY A 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU A 297 " --> pdb=" O LEU A 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER A 298 " --> pdb=" O SER A 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU A 302 " --> pdb=" O SER A 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR A 303 " --> pdb=" O LEU A 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN A 304 " --> pdb=" O MET A 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET A 306 " --> pdb=" O LEU A 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY A 307 " --> pdb=" O TYR A 303 " (cutoff:3.500A) Processing helix chain 'A' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE A 320 " --> pdb=" O GLU A 317 " (cutoff:3.500A) Processing helix chain 'A' and resid 329 through 340 Processing helix chain 'A' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU A 364 " --> pdb=" O ALA A 360 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N GLN A 366 " --> pdb=" O PHE A 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL A 369 " --> pdb=" O GLY A 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG A 370 " --> pdb=" O GLN A 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA A 373 " --> pdb=" O VAL A 369 " (cutoff:3.500A) Processing helix chain 'D' and resid 2 through 11 Processing helix chain 'D' and resid 12 through 15 Processing helix chain 'D' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP D 53 " --> pdb=" O SER D 49 " (cutoff:3.500A) Processing helix chain 'D' and resid 65 through 78 Processing helix chain 'D' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN D 89 " --> pdb=" O GLY D 85 " (cutoff:3.500A) Processing helix chain 'D' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE D 170 " --> pdb=" O ILE D 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN D 173 " --> pdb=" O THR D 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL D 176 " --> pdb=" O ALA D 172 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N VAL D 178 " --> pdb=" O ILE D 174 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA D 179 " --> pdb=" O TRP D 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS D 180 " --> pdb=" O VAL D 176 " (cutoff:3.500A) Processing helix chain 'D' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS D 198 " --> pdb=" O ARG D 194 " (cutoff:3.500A) Processing helix chain 'D' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL D 219 " --> pdb=" O TRP D 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG D 222 " --> pdb=" O VAL D 218 " (cutoff:3.500A) Processing helix chain 'D' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET D 233 " --> pdb=" O LEU D 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG D 242 " --> pdb=" O LEU D 238 " (cutoff:3.500A) Processing helix chain 'D' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET D 253 " --> pdb=" O ARG D 249 " (cutoff:3.500A) Processing helix chain 'D' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU D 271 " --> pdb=" O ALA D 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR D 272 " --> pdb=" O SER D 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE D 273 " --> pdb=" O PHE D 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS D 274 " --> pdb=" O ILE D 270 " (cutoff:3.500A) Processing helix chain 'D' and resid 286 through 307 removed outlier: 4.464A pdb=" N GLY D 291 " --> pdb=" O HIS D 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU D 292 " --> pdb=" O GLU D 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER D 294 " --> pdb=" O ASP D 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR D 295 " --> pdb=" O GLY D 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU D 297 " --> pdb=" O LEU D 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER D 298 " --> pdb=" O SER D 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU D 302 " --> pdb=" O SER D 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR D 303 " --> pdb=" O LEU D 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN D 304 " --> pdb=" O MET D 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET D 306 " --> pdb=" O LEU D 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY D 307 " --> pdb=" O TYR D 303 " (cutoff:3.500A) Processing helix chain 'D' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE D 320 " --> pdb=" O GLU D 317 " (cutoff:3.500A) Processing helix chain 'D' and resid 329 through 340 Processing helix chain 'D' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU D 364 " --> pdb=" O ALA D 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN D 366 " --> pdb=" O PHE D 362 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VAL D 369 " --> pdb=" O GLY D 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG D 370 " --> pdb=" O GLN D 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA D 373 " --> pdb=" O VAL D 369 " (cutoff:3.500A) Processing helix chain 'F' and resid 2 through 11 Processing helix chain 'F' and resid 12 through 15 Processing helix chain 'F' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP F 53 " --> pdb=" O SER F 49 " (cutoff:3.500A) Processing helix chain 'F' and resid 65 through 78 Processing helix chain 'F' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN F 89 " --> pdb=" O GLY F 85 " (cutoff:3.500A) Processing helix chain 'F' and resid 162 through 180 removed outlier: 4.023A pdb=" N ILE F 170 " --> pdb=" O ILE F 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN F 173 " --> pdb=" O THR F 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL F 176 " --> pdb=" O ALA F 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL F 178 " --> pdb=" O ILE F 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA F 179 " --> pdb=" O TRP F 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS F 180 " --> pdb=" O VAL F 176 " (cutoff:3.500A) Processing helix chain 'F' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS F 198 " --> pdb=" O ARG F 194 " (cutoff:3.500A) Processing helix chain 'F' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL F 219 " --> pdb=" O TRP F 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG F 222 " --> pdb=" O VAL F 218 " (cutoff:3.500A) Processing helix chain 'F' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET F 233 " --> pdb=" O LEU F 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG F 242 " --> pdb=" O LEU F 238 " (cutoff:3.500A) Processing helix chain 'F' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET F 253 " --> pdb=" O ARG F 249 " (cutoff:3.500A) Processing helix chain 'F' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU F 271 " --> pdb=" O ALA F 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR F 272 " --> pdb=" O SER F 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE F 273 " --> pdb=" O PHE F 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS F 274 " --> pdb=" O ILE F 270 " (cutoff:3.500A) Processing helix chain 'F' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY F 291 " --> pdb=" O HIS F 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU F 292 " --> pdb=" O GLU F 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER F 294 " --> pdb=" O ASP F 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR F 295 " --> pdb=" O GLY F 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU F 297 " --> pdb=" O LEU F 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER F 298 " --> pdb=" O SER F 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU F 302 " --> pdb=" O SER F 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR F 303 " --> pdb=" O LEU F 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN F 304 " --> pdb=" O MET F 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET F 306 " --> pdb=" O LEU F 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY F 307 " --> pdb=" O TYR F 303 " (cutoff:3.500A) Processing helix chain 'F' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE F 320 " --> pdb=" O GLU F 317 " (cutoff:3.500A) Processing helix chain 'F' and resid 329 through 340 Processing helix chain 'F' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU F 364 " --> pdb=" O ALA F 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN F 366 " --> pdb=" O PHE F 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL F 369 " --> pdb=" O GLY F 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG F 370 " --> pdb=" O GLN F 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA F 373 " --> pdb=" O VAL F 369 " (cutoff:3.500A) Processing helix chain 'H' and resid 2 through 11 Processing helix chain 'H' and resid 12 through 15 Processing helix chain 'H' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP H 53 " --> pdb=" O SER H 49 " (cutoff:3.500A) Processing helix chain 'H' and resid 65 through 78 Processing helix chain 'H' and resid 83 through 92 removed outlier: 3.595A pdb=" N GLN H 89 " --> pdb=" O GLY H 85 " (cutoff:3.500A) Processing helix chain 'H' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE H 170 " --> pdb=" O ILE H 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN H 173 " --> pdb=" O THR H 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL H 176 " --> pdb=" O ALA H 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL H 178 " --> pdb=" O ILE H 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA H 179 " --> pdb=" O TRP H 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS H 180 " --> pdb=" O VAL H 176 " (cutoff:3.500A) Processing helix chain 'H' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS H 198 " --> pdb=" O ARG H 194 " (cutoff:3.500A) Processing helix chain 'H' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL H 219 " --> pdb=" O TRP H 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG H 222 " --> pdb=" O VAL H 218 " (cutoff:3.500A) Processing helix chain 'H' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET H 233 " --> pdb=" O LEU H 229 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ARG H 242 " --> pdb=" O LEU H 238 " (cutoff:3.500A) Processing helix chain 'H' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET H 253 " --> pdb=" O ARG H 249 " (cutoff:3.500A) Processing helix chain 'H' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU H 271 " --> pdb=" O ALA H 267 " (cutoff:3.500A) removed outlier: 5.759A pdb=" N THR H 272 " --> pdb=" O SER H 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE H 273 " --> pdb=" O PHE H 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS H 274 " --> pdb=" O ILE H 270 " (cutoff:3.500A) Processing helix chain 'H' and resid 286 through 307 removed outlier: 4.464A pdb=" N GLY H 291 " --> pdb=" O HIS H 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU H 292 " --> pdb=" O GLU H 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER H 294 " --> pdb=" O ASP H 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR H 295 " --> pdb=" O GLY H 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU H 297 " --> pdb=" O LEU H 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER H 298 " --> pdb=" O SER H 294 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEU H 302 " --> pdb=" O SER H 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR H 303 " --> pdb=" O LEU H 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN H 304 " --> pdb=" O MET H 300 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N MET H 306 " --> pdb=" O LEU H 302 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLY H 307 " --> pdb=" O TYR H 303 " (cutoff:3.500A) Processing helix chain 'H' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE H 320 " --> pdb=" O GLU H 317 " (cutoff:3.500A) Processing helix chain 'H' and resid 329 through 340 Processing helix chain 'H' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU H 364 " --> pdb=" O ALA H 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN H 366 " --> pdb=" O PHE H 362 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VAL H 369 " --> pdb=" O GLY H 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG H 370 " --> pdb=" O GLN H 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA H 373 " --> pdb=" O VAL H 369 " (cutoff:3.500A) Processing helix chain 'J' and resid 2 through 11 Processing helix chain 'J' and resid 12 through 15 Processing helix chain 'J' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP J 53 " --> pdb=" O SER J 49 " (cutoff:3.500A) Processing helix chain 'J' and resid 65 through 78 Processing helix chain 'J' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN J 89 " --> pdb=" O GLY J 85 " (cutoff:3.500A) Processing helix chain 'J' and resid 162 through 180 removed outlier: 4.023A pdb=" N ILE J 170 " --> pdb=" O ILE J 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN J 173 " --> pdb=" O THR J 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL J 176 " --> pdb=" O ALA J 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL J 178 " --> pdb=" O ILE J 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA J 179 " --> pdb=" O TRP J 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS J 180 " --> pdb=" O VAL J 176 " (cutoff:3.500A) Processing helix chain 'J' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS J 198 " --> pdb=" O ARG J 194 " (cutoff:3.500A) Processing helix chain 'J' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL J 219 " --> pdb=" O TRP J 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG J 222 " --> pdb=" O VAL J 218 " (cutoff:3.500A) Processing helix chain 'J' and resid 227 through 242 removed outlier: 3.546A pdb=" N MET J 233 " --> pdb=" O LEU J 229 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ARG J 242 " --> pdb=" O LEU J 238 " (cutoff:3.500A) Processing helix chain 'J' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET J 253 " --> pdb=" O ARG J 249 " (cutoff:3.500A) Processing helix chain 'J' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU J 271 " --> pdb=" O ALA J 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR J 272 " --> pdb=" O SER J 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE J 273 " --> pdb=" O PHE J 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS J 274 " --> pdb=" O ILE J 270 " (cutoff:3.500A) Processing helix chain 'J' and resid 286 through 307 removed outlier: 4.464A pdb=" N GLY J 291 " --> pdb=" O HIS J 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU J 292 " --> pdb=" O GLU J 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER J 294 " --> pdb=" O ASP J 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR J 295 " --> pdb=" O GLY J 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU J 297 " --> pdb=" O LEU J 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER J 298 " --> pdb=" O SER J 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU J 302 " --> pdb=" O SER J 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR J 303 " --> pdb=" O LEU J 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN J 304 " --> pdb=" O MET J 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET J 306 " --> pdb=" O LEU J 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY J 307 " --> pdb=" O TYR J 303 " (cutoff:3.500A) Processing helix chain 'J' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE J 320 " --> pdb=" O GLU J 317 " (cutoff:3.500A) Processing helix chain 'J' and resid 329 through 340 Processing helix chain 'J' and resid 358 through 373 removed outlier: 3.880A pdb=" N LEU J 364 " --> pdb=" O ALA J 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN J 366 " --> pdb=" O PHE J 362 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VAL J 369 " --> pdb=" O GLY J 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG J 370 " --> pdb=" O GLN J 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA J 373 " --> pdb=" O VAL J 369 " (cutoff:3.500A) Processing helix chain 'L' and resid 2 through 11 Processing helix chain 'L' and resid 12 through 15 Processing helix chain 'L' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP L 53 " --> pdb=" O SER L 49 " (cutoff:3.500A) Processing helix chain 'L' and resid 65 through 78 Processing helix chain 'L' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN L 89 " --> pdb=" O GLY L 85 " (cutoff:3.500A) Processing helix chain 'L' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE L 170 " --> pdb=" O ILE L 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN L 173 " --> pdb=" O THR L 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL L 176 " --> pdb=" O ALA L 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL L 178 " --> pdb=" O ILE L 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA L 179 " --> pdb=" O TRP L 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS L 180 " --> pdb=" O VAL L 176 " (cutoff:3.500A) Processing helix chain 'L' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS L 198 " --> pdb=" O ARG L 194 " (cutoff:3.500A) Processing helix chain 'L' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL L 219 " --> pdb=" O TRP L 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG L 222 " --> pdb=" O VAL L 218 " (cutoff:3.500A) Processing helix chain 'L' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET L 233 " --> pdb=" O LEU L 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG L 242 " --> pdb=" O LEU L 238 " (cutoff:3.500A) Processing helix chain 'L' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET L 253 " --> pdb=" O ARG L 249 " (cutoff:3.500A) Processing helix chain 'L' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU L 271 " --> pdb=" O ALA L 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR L 272 " --> pdb=" O SER L 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE L 273 " --> pdb=" O PHE L 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS L 274 " --> pdb=" O ILE L 270 " (cutoff:3.500A) Processing helix chain 'L' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY L 291 " --> pdb=" O HIS L 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU L 292 " --> pdb=" O GLU L 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER L 294 " --> pdb=" O ASP L 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR L 295 " --> pdb=" O GLY L 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU L 297 " --> pdb=" O LEU L 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER L 298 " --> pdb=" O SER L 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU L 302 " --> pdb=" O SER L 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR L 303 " --> pdb=" O LEU L 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN L 304 " --> pdb=" O MET L 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET L 306 " --> pdb=" O LEU L 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY L 307 " --> pdb=" O TYR L 303 " (cutoff:3.500A) Processing helix chain 'L' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE L 320 " --> pdb=" O GLU L 317 " (cutoff:3.500A) Processing helix chain 'L' and resid 329 through 340 Processing helix chain 'L' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU L 364 " --> pdb=" O ALA L 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN L 366 " --> pdb=" O PHE L 362 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VAL L 369 " --> pdb=" O GLY L 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG L 370 " --> pdb=" O GLN L 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA L 373 " --> pdb=" O VAL L 369 " (cutoff:3.500A) Processing helix chain 'N' and resid 2 through 11 Processing helix chain 'N' and resid 12 through 15 Processing helix chain 'N' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP N 53 " --> pdb=" O SER N 49 " (cutoff:3.500A) Processing helix chain 'N' and resid 65 through 78 Processing helix chain 'N' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN N 89 " --> pdb=" O GLY N 85 " (cutoff:3.500A) Processing helix chain 'N' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE N 170 " --> pdb=" O ILE N 166 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLN N 173 " --> pdb=" O THR N 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL N 176 " --> pdb=" O ALA N 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL N 178 " --> pdb=" O ILE N 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA N 179 " --> pdb=" O TRP N 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS N 180 " --> pdb=" O VAL N 176 " (cutoff:3.500A) Processing helix chain 'N' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS N 198 " --> pdb=" O ARG N 194 " (cutoff:3.500A) Processing helix chain 'N' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL N 219 " --> pdb=" O TRP N 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG N 222 " --> pdb=" O VAL N 218 " (cutoff:3.500A) Processing helix chain 'N' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET N 233 " --> pdb=" O LEU N 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG N 242 " --> pdb=" O LEU N 238 " (cutoff:3.500A) Processing helix chain 'N' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET N 253 " --> pdb=" O ARG N 249 " (cutoff:3.500A) Processing helix chain 'N' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU N 271 " --> pdb=" O ALA N 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR N 272 " --> pdb=" O SER N 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE N 273 " --> pdb=" O PHE N 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS N 274 " --> pdb=" O ILE N 270 " (cutoff:3.500A) Processing helix chain 'N' and resid 286 through 307 removed outlier: 4.464A pdb=" N GLY N 291 " --> pdb=" O HIS N 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU N 292 " --> pdb=" O GLU N 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER N 294 " --> pdb=" O ASP N 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR N 295 " --> pdb=" O GLY N 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU N 297 " --> pdb=" O LEU N 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER N 298 " --> pdb=" O SER N 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU N 302 " --> pdb=" O SER N 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR N 303 " --> pdb=" O LEU N 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN N 304 " --> pdb=" O MET N 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET N 306 " --> pdb=" O LEU N 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY N 307 " --> pdb=" O TYR N 303 " (cutoff:3.500A) Processing helix chain 'N' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE N 320 " --> pdb=" O GLU N 317 " (cutoff:3.500A) Processing helix chain 'N' and resid 329 through 340 Processing helix chain 'N' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU N 364 " --> pdb=" O ALA N 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN N 366 " --> pdb=" O PHE N 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL N 369 " --> pdb=" O GLY N 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARG N 370 " --> pdb=" O GLN N 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA N 373 " --> pdb=" O VAL N 369 " (cutoff:3.500A) Processing helix chain 'P' and resid 2 through 11 Processing helix chain 'P' and resid 12 through 15 Processing helix chain 'P' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP P 53 " --> pdb=" O SER P 49 " (cutoff:3.500A) Processing helix chain 'P' and resid 65 through 78 Processing helix chain 'P' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN P 89 " --> pdb=" O GLY P 85 " (cutoff:3.500A) Processing helix chain 'P' and resid 162 through 180 removed outlier: 4.021A pdb=" N ILE P 170 " --> pdb=" O ILE P 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN P 173 " --> pdb=" O THR P 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL P 176 " --> pdb=" O ALA P 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL P 178 " --> pdb=" O ILE P 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA P 179 " --> pdb=" O TRP P 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS P 180 " --> pdb=" O VAL P 176 " (cutoff:3.500A) Processing helix chain 'P' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS P 198 " --> pdb=" O ARG P 194 " (cutoff:3.500A) Processing helix chain 'P' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL P 219 " --> pdb=" O TRP P 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG P 222 " --> pdb=" O VAL P 218 " (cutoff:3.500A) Processing helix chain 'P' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET P 233 " --> pdb=" O LEU P 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG P 242 " --> pdb=" O LEU P 238 " (cutoff:3.500A) Processing helix chain 'P' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET P 253 " --> pdb=" O ARG P 249 " (cutoff:3.500A) Processing helix chain 'P' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU P 271 " --> pdb=" O ALA P 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR P 272 " --> pdb=" O SER P 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE P 273 " --> pdb=" O PHE P 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS P 274 " --> pdb=" O ILE P 270 " (cutoff:3.500A) Processing helix chain 'P' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY P 291 " --> pdb=" O HIS P 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU P 292 " --> pdb=" O GLU P 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER P 294 " --> pdb=" O ASP P 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR P 295 " --> pdb=" O GLY P 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU P 297 " --> pdb=" O LEU P 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER P 298 " --> pdb=" O SER P 294 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N LEU P 302 " --> pdb=" O SER P 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR P 303 " --> pdb=" O LEU P 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN P 304 " --> pdb=" O MET P 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET P 306 " --> pdb=" O LEU P 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY P 307 " --> pdb=" O TYR P 303 " (cutoff:3.500A) Processing helix chain 'P' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE P 320 " --> pdb=" O GLU P 317 " (cutoff:3.500A) Processing helix chain 'P' and resid 329 through 340 Processing helix chain 'P' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU P 364 " --> pdb=" O ALA P 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN P 366 " --> pdb=" O PHE P 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL P 369 " --> pdb=" O GLY P 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG P 370 " --> pdb=" O GLN P 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA P 373 " --> pdb=" O VAL P 369 " (cutoff:3.500A) Processing helix chain 'S' and resid 2 through 11 Processing helix chain 'S' and resid 12 through 15 Processing helix chain 'S' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP S 53 " --> pdb=" O SER S 49 " (cutoff:3.500A) Processing helix chain 'S' and resid 65 through 78 Processing helix chain 'S' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN S 89 " --> pdb=" O GLY S 85 " (cutoff:3.500A) Processing helix chain 'S' and resid 162 through 180 removed outlier: 4.023A pdb=" N ILE S 170 " --> pdb=" O ILE S 166 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLN S 173 " --> pdb=" O THR S 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL S 176 " --> pdb=" O ALA S 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL S 178 " --> pdb=" O ILE S 174 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA S 179 " --> pdb=" O TRP S 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS S 180 " --> pdb=" O VAL S 176 " (cutoff:3.500A) Processing helix chain 'S' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS S 198 " --> pdb=" O ARG S 194 " (cutoff:3.500A) Processing helix chain 'S' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL S 219 " --> pdb=" O TRP S 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG S 222 " --> pdb=" O VAL S 218 " (cutoff:3.500A) Processing helix chain 'S' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET S 233 " --> pdb=" O LEU S 229 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ARG S 242 " --> pdb=" O LEU S 238 " (cutoff:3.500A) Processing helix chain 'S' and resid 248 through 259 removed outlier: 3.570A pdb=" N MET S 253 " --> pdb=" O ARG S 249 " (cutoff:3.500A) Processing helix chain 'S' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU S 271 " --> pdb=" O ALA S 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR S 272 " --> pdb=" O SER S 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE S 273 " --> pdb=" O PHE S 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS S 274 " --> pdb=" O ILE S 270 " (cutoff:3.500A) Processing helix chain 'S' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY S 291 " --> pdb=" O HIS S 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU S 292 " --> pdb=" O GLU S 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER S 294 " --> pdb=" O ASP S 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR S 295 " --> pdb=" O GLY S 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU S 297 " --> pdb=" O LEU S 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER S 298 " --> pdb=" O SER S 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU S 302 " --> pdb=" O SER S 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR S 303 " --> pdb=" O LEU S 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN S 304 " --> pdb=" O MET S 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET S 306 " --> pdb=" O LEU S 302 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLY S 307 " --> pdb=" O TYR S 303 " (cutoff:3.500A) Processing helix chain 'S' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE S 320 " --> pdb=" O GLU S 317 " (cutoff:3.500A) Processing helix chain 'S' and resid 329 through 340 Processing helix chain 'S' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU S 364 " --> pdb=" O ALA S 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN S 366 " --> pdb=" O PHE S 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL S 369 " --> pdb=" O GLY S 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG S 370 " --> pdb=" O GLN S 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA S 373 " --> pdb=" O VAL S 369 " (cutoff:3.500A) Processing helix chain 'U' and resid 2 through 11 Processing helix chain 'U' and resid 12 through 15 Processing helix chain 'U' and resid 47 through 60 removed outlier: 4.022A pdb=" N ASP U 53 " --> pdb=" O SER U 49 " (cutoff:3.500A) Processing helix chain 'U' and resid 65 through 78 Processing helix chain 'U' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN U 89 " --> pdb=" O GLY U 85 " (cutoff:3.500A) Processing helix chain 'U' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE U 170 " --> pdb=" O ILE U 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN U 173 " --> pdb=" O THR U 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL U 176 " --> pdb=" O ALA U 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL U 178 " --> pdb=" O ILE U 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA U 179 " --> pdb=" O TRP U 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS U 180 " --> pdb=" O VAL U 176 " (cutoff:3.500A) Processing helix chain 'U' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS U 198 " --> pdb=" O ARG U 194 " (cutoff:3.500A) Processing helix chain 'U' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL U 219 " --> pdb=" O TRP U 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG U 222 " --> pdb=" O VAL U 218 " (cutoff:3.500A) Processing helix chain 'U' and resid 227 through 242 removed outlier: 3.546A pdb=" N MET U 233 " --> pdb=" O LEU U 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG U 242 " --> pdb=" O LEU U 238 " (cutoff:3.500A) Processing helix chain 'U' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET U 253 " --> pdb=" O ARG U 249 " (cutoff:3.500A) Processing helix chain 'U' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU U 271 " --> pdb=" O ALA U 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR U 272 " --> pdb=" O SER U 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE U 273 " --> pdb=" O PHE U 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS U 274 " --> pdb=" O ILE U 270 " (cutoff:3.500A) Processing helix chain 'U' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY U 291 " --> pdb=" O HIS U 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU U 292 " --> pdb=" O GLU U 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER U 294 " --> pdb=" O ASP U 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR U 295 " --> pdb=" O GLY U 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU U 297 " --> pdb=" O LEU U 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER U 298 " --> pdb=" O SER U 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU U 302 " --> pdb=" O SER U 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR U 303 " --> pdb=" O LEU U 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN U 304 " --> pdb=" O MET U 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET U 306 " --> pdb=" O LEU U 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY U 307 " --> pdb=" O TYR U 303 " (cutoff:3.500A) Processing helix chain 'U' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE U 320 " --> pdb=" O GLU U 317 " (cutoff:3.500A) Processing helix chain 'U' and resid 329 through 340 Processing helix chain 'U' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU U 364 " --> pdb=" O ALA U 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN U 366 " --> pdb=" O PHE U 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL U 369 " --> pdb=" O GLY U 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG U 370 " --> pdb=" O GLN U 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA U 373 " --> pdb=" O VAL U 369 " (cutoff:3.500A) Processing helix chain 'W' and resid 2 through 11 Processing helix chain 'W' and resid 12 through 15 Processing helix chain 'W' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP W 53 " --> pdb=" O SER W 49 " (cutoff:3.500A) Processing helix chain 'W' and resid 65 through 78 Processing helix chain 'W' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN W 89 " --> pdb=" O GLY W 85 " (cutoff:3.500A) Processing helix chain 'W' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE W 170 " --> pdb=" O ILE W 166 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N GLN W 173 " --> pdb=" O THR W 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL W 176 " --> pdb=" O ALA W 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL W 178 " --> pdb=" O ILE W 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA W 179 " --> pdb=" O TRP W 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS W 180 " --> pdb=" O VAL W 176 " (cutoff:3.500A) Processing helix chain 'W' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS W 198 " --> pdb=" O ARG W 194 " (cutoff:3.500A) Processing helix chain 'W' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL W 219 " --> pdb=" O TRP W 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG W 222 " --> pdb=" O VAL W 218 " (cutoff:3.500A) Processing helix chain 'W' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET W 233 " --> pdb=" O LEU W 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG W 242 " --> pdb=" O LEU W 238 " (cutoff:3.500A) Processing helix chain 'W' and resid 248 through 259 removed outlier: 3.570A pdb=" N MET W 253 " --> pdb=" O ARG W 249 " (cutoff:3.500A) Processing helix chain 'W' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU W 271 " --> pdb=" O ALA W 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR W 272 " --> pdb=" O SER W 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE W 273 " --> pdb=" O PHE W 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS W 274 " --> pdb=" O ILE W 270 " (cutoff:3.500A) Processing helix chain 'W' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY W 291 " --> pdb=" O HIS W 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU W 292 " --> pdb=" O GLU W 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER W 294 " --> pdb=" O ASP W 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR W 295 " --> pdb=" O GLY W 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU W 297 " --> pdb=" O LEU W 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER W 298 " --> pdb=" O SER W 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU W 302 " --> pdb=" O SER W 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR W 303 " --> pdb=" O LEU W 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN W 304 " --> pdb=" O MET W 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET W 306 " --> pdb=" O LEU W 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY W 307 " --> pdb=" O TYR W 303 " (cutoff:3.500A) Processing helix chain 'W' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE W 320 " --> pdb=" O GLU W 317 " (cutoff:3.500A) Processing helix chain 'W' and resid 329 through 340 Processing helix chain 'W' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU W 364 " --> pdb=" O ALA W 360 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N GLN W 366 " --> pdb=" O PHE W 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL W 369 " --> pdb=" O GLY W 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARG W 370 " --> pdb=" O GLN W 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA W 373 " --> pdb=" O VAL W 369 " (cutoff:3.500A) Processing helix chain 'Y' and resid 2 through 11 Processing helix chain 'Y' and resid 12 through 15 Processing helix chain 'Y' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP Y 53 " --> pdb=" O SER Y 49 " (cutoff:3.500A) Processing helix chain 'Y' and resid 65 through 78 Processing helix chain 'Y' and resid 83 through 92 removed outlier: 3.595A pdb=" N GLN Y 89 " --> pdb=" O GLY Y 85 " (cutoff:3.500A) Processing helix chain 'Y' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE Y 170 " --> pdb=" O ILE Y 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN Y 173 " --> pdb=" O THR Y 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL Y 176 " --> pdb=" O ALA Y 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL Y 178 " --> pdb=" O ILE Y 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA Y 179 " --> pdb=" O TRP Y 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS Y 180 " --> pdb=" O VAL Y 176 " (cutoff:3.500A) Processing helix chain 'Y' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS Y 198 " --> pdb=" O ARG Y 194 " (cutoff:3.500A) Processing helix chain 'Y' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL Y 219 " --> pdb=" O TRP Y 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG Y 222 " --> pdb=" O VAL Y 218 " (cutoff:3.500A) Processing helix chain 'Y' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET Y 233 " --> pdb=" O LEU Y 229 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ARG Y 242 " --> pdb=" O LEU Y 238 " (cutoff:3.500A) Processing helix chain 'Y' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET Y 253 " --> pdb=" O ARG Y 249 " (cutoff:3.500A) Processing helix chain 'Y' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU Y 271 " --> pdb=" O ALA Y 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR Y 272 " --> pdb=" O SER Y 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE Y 273 " --> pdb=" O PHE Y 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS Y 274 " --> pdb=" O ILE Y 270 " (cutoff:3.500A) Processing helix chain 'Y' and resid 286 through 307 removed outlier: 4.464A pdb=" N GLY Y 291 " --> pdb=" O HIS Y 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU Y 292 " --> pdb=" O GLU Y 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER Y 294 " --> pdb=" O ASP Y 290 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N THR Y 295 " --> pdb=" O GLY Y 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU Y 297 " --> pdb=" O LEU Y 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER Y 298 " --> pdb=" O SER Y 294 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEU Y 302 " --> pdb=" O SER Y 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR Y 303 " --> pdb=" O LEU Y 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN Y 304 " --> pdb=" O MET Y 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET Y 306 " --> pdb=" O LEU Y 302 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLY Y 307 " --> pdb=" O TYR Y 303 " (cutoff:3.500A) Processing helix chain 'Y' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE Y 320 " --> pdb=" O GLU Y 317 " (cutoff:3.500A) Processing helix chain 'Y' and resid 329 through 340 Processing helix chain 'Y' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU Y 364 " --> pdb=" O ALA Y 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN Y 366 " --> pdb=" O PHE Y 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL Y 369 " --> pdb=" O GLY Y 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG Y 370 " --> pdb=" O GLN Y 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA Y 373 " --> pdb=" O VAL Y 369 " (cutoff:3.500A) Processing helix chain '0' and resid 2 through 11 Processing helix chain '0' and resid 12 through 15 Processing helix chain '0' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP 0 53 " --> pdb=" O SER 0 49 " (cutoff:3.500A) Processing helix chain '0' and resid 65 through 78 Processing helix chain '0' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN 0 89 " --> pdb=" O GLY 0 85 " (cutoff:3.500A) Processing helix chain '0' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE 0 170 " --> pdb=" O ILE 0 166 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N GLN 0 173 " --> pdb=" O THR 0 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL 0 176 " --> pdb=" O ALA 0 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL 0 178 " --> pdb=" O ILE 0 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA 0 179 " --> pdb=" O TRP 0 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS 0 180 " --> pdb=" O VAL 0 176 " (cutoff:3.500A) Processing helix chain '0' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS 0 198 " --> pdb=" O ARG 0 194 " (cutoff:3.500A) Processing helix chain '0' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL 0 219 " --> pdb=" O TRP 0 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG 0 222 " --> pdb=" O VAL 0 218 " (cutoff:3.500A) Processing helix chain '0' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET 0 233 " --> pdb=" O LEU 0 229 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ARG 0 242 " --> pdb=" O LEU 0 238 " (cutoff:3.500A) Processing helix chain '0' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET 0 253 " --> pdb=" O ARG 0 249 " (cutoff:3.500A) Processing helix chain '0' and resid 266 through 277 removed outlier: 3.640A pdb=" N LEU 0 271 " --> pdb=" O ALA 0 267 " (cutoff:3.500A) removed outlier: 5.759A pdb=" N THR 0 272 " --> pdb=" O SER 0 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE 0 273 " --> pdb=" O PHE 0 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS 0 274 " --> pdb=" O ILE 0 270 " (cutoff:3.500A) Processing helix chain '0' and resid 286 through 307 removed outlier: 4.464A pdb=" N GLY 0 291 " --> pdb=" O HIS 0 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU 0 292 " --> pdb=" O GLU 0 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER 0 294 " --> pdb=" O ASP 0 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR 0 295 " --> pdb=" O GLY 0 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU 0 297 " --> pdb=" O LEU 0 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER 0 298 " --> pdb=" O SER 0 294 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEU 0 302 " --> pdb=" O SER 0 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR 0 303 " --> pdb=" O LEU 0 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN 0 304 " --> pdb=" O MET 0 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET 0 306 " --> pdb=" O LEU 0 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY 0 307 " --> pdb=" O TYR 0 303 " (cutoff:3.500A) Processing helix chain '0' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE 0 320 " --> pdb=" O GLU 0 317 " (cutoff:3.500A) Processing helix chain '0' and resid 329 through 340 Processing helix chain '0' and resid 358 through 373 removed outlier: 3.880A pdb=" N LEU 0 364 " --> pdb=" O ALA 0 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN 0 366 " --> pdb=" O PHE 0 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL 0 369 " --> pdb=" O GLY 0 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARG 0 370 " --> pdb=" O GLN 0 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA 0 373 " --> pdb=" O VAL 0 369 " (cutoff:3.500A) Processing helix chain '2' and resid 2 through 11 Processing helix chain '2' and resid 12 through 15 Processing helix chain '2' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP 2 53 " --> pdb=" O SER 2 49 " (cutoff:3.500A) Processing helix chain '2' and resid 65 through 78 Processing helix chain '2' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN 2 89 " --> pdb=" O GLY 2 85 " (cutoff:3.500A) Processing helix chain '2' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE 2 170 " --> pdb=" O ILE 2 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN 2 173 " --> pdb=" O THR 2 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL 2 176 " --> pdb=" O ALA 2 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL 2 178 " --> pdb=" O ILE 2 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA 2 179 " --> pdb=" O TRP 2 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS 2 180 " --> pdb=" O VAL 2 176 " (cutoff:3.500A) Processing helix chain '2' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS 2 198 " --> pdb=" O ARG 2 194 " (cutoff:3.500A) Processing helix chain '2' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL 2 219 " --> pdb=" O TRP 2 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG 2 222 " --> pdb=" O VAL 2 218 " (cutoff:3.500A) Processing helix chain '2' and resid 227 through 242 removed outlier: 3.546A pdb=" N MET 2 233 " --> pdb=" O LEU 2 229 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ARG 2 242 " --> pdb=" O LEU 2 238 " (cutoff:3.500A) Processing helix chain '2' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET 2 253 " --> pdb=" O ARG 2 249 " (cutoff:3.500A) Processing helix chain '2' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU 2 271 " --> pdb=" O ALA 2 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR 2 272 " --> pdb=" O SER 2 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE 2 273 " --> pdb=" O PHE 2 269 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N LYS 2 274 " --> pdb=" O ILE 2 270 " (cutoff:3.500A) Processing helix chain '2' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY 2 291 " --> pdb=" O HIS 2 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU 2 292 " --> pdb=" O GLU 2 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER 2 294 " --> pdb=" O ASP 2 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR 2 295 " --> pdb=" O GLY 2 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU 2 297 " --> pdb=" O LEU 2 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER 2 298 " --> pdb=" O SER 2 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU 2 302 " --> pdb=" O SER 2 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR 2 303 " --> pdb=" O LEU 2 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN 2 304 " --> pdb=" O MET 2 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET 2 306 " --> pdb=" O LEU 2 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY 2 307 " --> pdb=" O TYR 2 303 " (cutoff:3.500A) Processing helix chain '2' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE 2 320 " --> pdb=" O GLU 2 317 " (cutoff:3.500A) Processing helix chain '2' and resid 329 through 340 Processing helix chain '2' and resid 358 through 373 removed outlier: 3.880A pdb=" N LEU 2 364 " --> pdb=" O ALA 2 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN 2 366 " --> pdb=" O PHE 2 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL 2 369 " --> pdb=" O GLY 2 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARG 2 370 " --> pdb=" O GLN 2 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA 2 373 " --> pdb=" O VAL 2 369 " (cutoff:3.500A) Processing helix chain '4' and resid 2 through 11 Processing helix chain '4' and resid 12 through 15 Processing helix chain '4' and resid 47 through 60 removed outlier: 4.022A pdb=" N ASP 4 53 " --> pdb=" O SER 4 49 " (cutoff:3.500A) Processing helix chain '4' and resid 65 through 78 Processing helix chain '4' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN 4 89 " --> pdb=" O GLY 4 85 " (cutoff:3.500A) Processing helix chain '4' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE 4 170 " --> pdb=" O ILE 4 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN 4 173 " --> pdb=" O THR 4 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL 4 176 " --> pdb=" O ALA 4 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL 4 178 " --> pdb=" O ILE 4 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA 4 179 " --> pdb=" O TRP 4 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS 4 180 " --> pdb=" O VAL 4 176 " (cutoff:3.500A) Processing helix chain '4' and resid 192 through 198 removed outlier: 3.679A pdb=" N LYS 4 198 " --> pdb=" O ARG 4 194 " (cutoff:3.500A) Processing helix chain '4' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL 4 219 " --> pdb=" O TRP 4 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG 4 222 " --> pdb=" O VAL 4 218 " (cutoff:3.500A) Processing helix chain '4' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET 4 233 " --> pdb=" O LEU 4 229 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ARG 4 242 " --> pdb=" O LEU 4 238 " (cutoff:3.500A) Processing helix chain '4' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET 4 253 " --> pdb=" O ARG 4 249 " (cutoff:3.500A) Processing helix chain '4' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU 4 271 " --> pdb=" O ALA 4 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR 4 272 " --> pdb=" O SER 4 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE 4 273 " --> pdb=" O PHE 4 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS 4 274 " --> pdb=" O ILE 4 270 " (cutoff:3.500A) Processing helix chain '4' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY 4 291 " --> pdb=" O HIS 4 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU 4 292 " --> pdb=" O GLU 4 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER 4 294 " --> pdb=" O ASP 4 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR 4 295 " --> pdb=" O GLY 4 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU 4 297 " --> pdb=" O LEU 4 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER 4 298 " --> pdb=" O SER 4 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU 4 302 " --> pdb=" O SER 4 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR 4 303 " --> pdb=" O LEU 4 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN 4 304 " --> pdb=" O MET 4 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET 4 306 " --> pdb=" O LEU 4 302 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLY 4 307 " --> pdb=" O TYR 4 303 " (cutoff:3.500A) Processing helix chain '4' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE 4 320 " --> pdb=" O GLU 4 317 " (cutoff:3.500A) Processing helix chain '4' and resid 329 through 340 Processing helix chain '4' and resid 358 through 373 removed outlier: 3.880A pdb=" N LEU 4 364 " --> pdb=" O ALA 4 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN 4 366 " --> pdb=" O PHE 4 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL 4 369 " --> pdb=" O GLY 4 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG 4 370 " --> pdb=" O GLN 4 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA 4 373 " --> pdb=" O VAL 4 369 " (cutoff:3.500A) Processing helix chain '6' and resid 2 through 11 Processing helix chain '6' and resid 12 through 15 Processing helix chain '6' and resid 47 through 60 removed outlier: 4.022A pdb=" N ASP 6 53 " --> pdb=" O SER 6 49 " (cutoff:3.500A) Processing helix chain '6' and resid 65 through 78 Processing helix chain '6' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN 6 89 " --> pdb=" O GLY 6 85 " (cutoff:3.500A) Processing helix chain '6' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE 6 170 " --> pdb=" O ILE 6 166 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLN 6 173 " --> pdb=" O THR 6 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL 6 176 " --> pdb=" O ALA 6 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL 6 178 " --> pdb=" O ILE 6 174 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA 6 179 " --> pdb=" O TRP 6 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS 6 180 " --> pdb=" O VAL 6 176 " (cutoff:3.500A) Processing helix chain '6' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS 6 198 " --> pdb=" O ARG 6 194 " (cutoff:3.500A) Processing helix chain '6' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL 6 219 " --> pdb=" O TRP 6 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG 6 222 " --> pdb=" O VAL 6 218 " (cutoff:3.500A) Processing helix chain '6' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET 6 233 " --> pdb=" O LEU 6 229 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ARG 6 242 " --> pdb=" O LEU 6 238 " (cutoff:3.500A) Processing helix chain '6' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET 6 253 " --> pdb=" O ARG 6 249 " (cutoff:3.500A) Processing helix chain '6' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU 6 271 " --> pdb=" O ALA 6 267 " (cutoff:3.500A) removed outlier: 5.759A pdb=" N THR 6 272 " --> pdb=" O SER 6 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE 6 273 " --> pdb=" O PHE 6 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS 6 274 " --> pdb=" O ILE 6 270 " (cutoff:3.500A) Processing helix chain '6' and resid 286 through 307 removed outlier: 4.464A pdb=" N GLY 6 291 " --> pdb=" O HIS 6 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU 6 292 " --> pdb=" O GLU 6 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER 6 294 " --> pdb=" O ASP 6 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR 6 295 " --> pdb=" O GLY 6 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU 6 297 " --> pdb=" O LEU 6 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER 6 298 " --> pdb=" O SER 6 294 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEU 6 302 " --> pdb=" O SER 6 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR 6 303 " --> pdb=" O LEU 6 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN 6 304 " --> pdb=" O MET 6 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET 6 306 " --> pdb=" O LEU 6 302 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLY 6 307 " --> pdb=" O TYR 6 303 " (cutoff:3.500A) Processing helix chain '6' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE 6 320 " --> pdb=" O GLU 6 317 " (cutoff:3.500A) Processing helix chain '6' and resid 329 through 340 Processing helix chain '6' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU 6 364 " --> pdb=" O ALA 6 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN 6 366 " --> pdb=" O PHE 6 362 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VAL 6 369 " --> pdb=" O GLY 6 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG 6 370 " --> pdb=" O GLN 6 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA 6 373 " --> pdb=" O VAL 6 369 " (cutoff:3.500A) Processing helix chain '8' and resid 2 through 11 Processing helix chain '8' and resid 12 through 15 Processing helix chain '8' and resid 47 through 60 removed outlier: 4.020A pdb=" N ASP 8 53 " --> pdb=" O SER 8 49 " (cutoff:3.500A) Processing helix chain '8' and resid 65 through 78 Processing helix chain '8' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN 8 89 " --> pdb=" O GLY 8 85 " (cutoff:3.500A) Processing helix chain '8' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE 8 170 " --> pdb=" O ILE 8 166 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLN 8 173 " --> pdb=" O THR 8 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL 8 176 " --> pdb=" O ALA 8 172 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N VAL 8 178 " --> pdb=" O ILE 8 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA 8 179 " --> pdb=" O TRP 8 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS 8 180 " --> pdb=" O VAL 8 176 " (cutoff:3.500A) Processing helix chain '8' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS 8 198 " --> pdb=" O ARG 8 194 " (cutoff:3.500A) Processing helix chain '8' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL 8 219 " --> pdb=" O TRP 8 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG 8 222 " --> pdb=" O VAL 8 218 " (cutoff:3.500A) Processing helix chain '8' and resid 227 through 242 removed outlier: 3.546A pdb=" N MET 8 233 " --> pdb=" O LEU 8 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG 8 242 " --> pdb=" O LEU 8 238 " (cutoff:3.500A) Processing helix chain '8' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET 8 253 " --> pdb=" O ARG 8 249 " (cutoff:3.500A) Processing helix chain '8' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU 8 271 " --> pdb=" O ALA 8 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR 8 272 " --> pdb=" O SER 8 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE 8 273 " --> pdb=" O PHE 8 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS 8 274 " --> pdb=" O ILE 8 270 " (cutoff:3.500A) Processing helix chain '8' and resid 286 through 307 removed outlier: 4.464A pdb=" N GLY 8 291 " --> pdb=" O HIS 8 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU 8 292 " --> pdb=" O GLU 8 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER 8 294 " --> pdb=" O ASP 8 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR 8 295 " --> pdb=" O GLY 8 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU 8 297 " --> pdb=" O LEU 8 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER 8 298 " --> pdb=" O SER 8 294 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEU 8 302 " --> pdb=" O SER 8 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR 8 303 " --> pdb=" O LEU 8 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN 8 304 " --> pdb=" O MET 8 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET 8 306 " --> pdb=" O LEU 8 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY 8 307 " --> pdb=" O TYR 8 303 " (cutoff:3.500A) Processing helix chain '8' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE 8 320 " --> pdb=" O GLU 8 317 " (cutoff:3.500A) Processing helix chain '8' and resid 329 through 340 Processing helix chain '8' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU 8 364 " --> pdb=" O ALA 8 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN 8 366 " --> pdb=" O PHE 8 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL 8 369 " --> pdb=" O GLY 8 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG 8 370 " --> pdb=" O GLN 8 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA 8 373 " --> pdb=" O VAL 8 369 " (cutoff:3.500A) Processing helix chain 'a' and resid 2 through 11 Processing helix chain 'a' and resid 12 through 15 Processing helix chain 'a' and resid 47 through 60 removed outlier: 4.022A pdb=" N ASP a 53 " --> pdb=" O SER a 49 " (cutoff:3.500A) Processing helix chain 'a' and resid 65 through 78 Processing helix chain 'a' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN a 89 " --> pdb=" O GLY a 85 " (cutoff:3.500A) Processing helix chain 'a' and resid 162 through 180 removed outlier: 4.023A pdb=" N ILE a 170 " --> pdb=" O ILE a 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN a 173 " --> pdb=" O THR a 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL a 176 " --> pdb=" O ALA a 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL a 178 " --> pdb=" O ILE a 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA a 179 " --> pdb=" O TRP a 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS a 180 " --> pdb=" O VAL a 176 " (cutoff:3.500A) Processing helix chain 'a' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS a 198 " --> pdb=" O ARG a 194 " (cutoff:3.500A) Processing helix chain 'a' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL a 219 " --> pdb=" O TRP a 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG a 222 " --> pdb=" O VAL a 218 " (cutoff:3.500A) Processing helix chain 'a' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET a 233 " --> pdb=" O LEU a 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG a 242 " --> pdb=" O LEU a 238 " (cutoff:3.500A) Processing helix chain 'a' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET a 253 " --> pdb=" O ARG a 249 " (cutoff:3.500A) Processing helix chain 'a' and resid 266 through 277 removed outlier: 3.640A pdb=" N LEU a 271 " --> pdb=" O ALA a 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR a 272 " --> pdb=" O SER a 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE a 273 " --> pdb=" O PHE a 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS a 274 " --> pdb=" O ILE a 270 " (cutoff:3.500A) Processing helix chain 'a' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY a 291 " --> pdb=" O HIS a 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU a 292 " --> pdb=" O GLU a 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER a 294 " --> pdb=" O ASP a 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR a 295 " --> pdb=" O GLY a 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU a 297 " --> pdb=" O LEU a 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER a 298 " --> pdb=" O SER a 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU a 302 " --> pdb=" O SER a 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR a 303 " --> pdb=" O LEU a 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN a 304 " --> pdb=" O MET a 300 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N MET a 306 " --> pdb=" O LEU a 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY a 307 " --> pdb=" O TYR a 303 " (cutoff:3.500A) Processing helix chain 'a' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE a 320 " --> pdb=" O GLU a 317 " (cutoff:3.500A) Processing helix chain 'a' and resid 329 through 340 Processing helix chain 'a' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU a 364 " --> pdb=" O ALA a 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN a 366 " --> pdb=" O PHE a 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL a 369 " --> pdb=" O GLY a 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG a 370 " --> pdb=" O GLN a 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA a 373 " --> pdb=" O VAL a 369 " (cutoff:3.500A) Processing helix chain 'c' and resid 2 through 11 Processing helix chain 'c' and resid 12 through 15 Processing helix chain 'c' and resid 47 through 60 removed outlier: 4.020A pdb=" N ASP c 53 " --> pdb=" O SER c 49 " (cutoff:3.500A) Processing helix chain 'c' and resid 65 through 78 Processing helix chain 'c' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN c 89 " --> pdb=" O GLY c 85 " (cutoff:3.500A) Processing helix chain 'c' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE c 170 " --> pdb=" O ILE c 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN c 173 " --> pdb=" O THR c 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL c 176 " --> pdb=" O ALA c 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL c 178 " --> pdb=" O ILE c 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA c 179 " --> pdb=" O TRP c 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS c 180 " --> pdb=" O VAL c 176 " (cutoff:3.500A) Processing helix chain 'c' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS c 198 " --> pdb=" O ARG c 194 " (cutoff:3.500A) Processing helix chain 'c' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL c 219 " --> pdb=" O TRP c 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG c 222 " --> pdb=" O VAL c 218 " (cutoff:3.500A) Processing helix chain 'c' and resid 227 through 242 removed outlier: 3.546A pdb=" N MET c 233 " --> pdb=" O LEU c 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG c 242 " --> pdb=" O LEU c 238 " (cutoff:3.500A) Processing helix chain 'c' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET c 253 " --> pdb=" O ARG c 249 " (cutoff:3.500A) Processing helix chain 'c' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU c 271 " --> pdb=" O ALA c 267 " (cutoff:3.500A) removed outlier: 5.759A pdb=" N THR c 272 " --> pdb=" O SER c 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE c 273 " --> pdb=" O PHE c 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS c 274 " --> pdb=" O ILE c 270 " (cutoff:3.500A) Processing helix chain 'c' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY c 291 " --> pdb=" O HIS c 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU c 292 " --> pdb=" O GLU c 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER c 294 " --> pdb=" O ASP c 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR c 295 " --> pdb=" O GLY c 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU c 297 " --> pdb=" O LEU c 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER c 298 " --> pdb=" O SER c 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU c 302 " --> pdb=" O SER c 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR c 303 " --> pdb=" O LEU c 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN c 304 " --> pdb=" O MET c 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET c 306 " --> pdb=" O LEU c 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY c 307 " --> pdb=" O TYR c 303 " (cutoff:3.500A) Processing helix chain 'c' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE c 320 " --> pdb=" O GLU c 317 " (cutoff:3.500A) Processing helix chain 'c' and resid 329 through 340 Processing helix chain 'c' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU c 364 " --> pdb=" O ALA c 360 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N GLN c 366 " --> pdb=" O PHE c 362 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VAL c 369 " --> pdb=" O GLY c 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARG c 370 " --> pdb=" O GLN c 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA c 373 " --> pdb=" O VAL c 369 " (cutoff:3.500A) Processing helix chain 'e' and resid 2 through 11 Processing helix chain 'e' and resid 12 through 15 Processing helix chain 'e' and resid 47 through 60 removed outlier: 4.020A pdb=" N ASP e 53 " --> pdb=" O SER e 49 " (cutoff:3.500A) Processing helix chain 'e' and resid 65 through 78 Processing helix chain 'e' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN e 89 " --> pdb=" O GLY e 85 " (cutoff:3.500A) Processing helix chain 'e' and resid 162 through 180 removed outlier: 4.023A pdb=" N ILE e 170 " --> pdb=" O ILE e 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN e 173 " --> pdb=" O THR e 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL e 176 " --> pdb=" O ALA e 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL e 178 " --> pdb=" O ILE e 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA e 179 " --> pdb=" O TRP e 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS e 180 " --> pdb=" O VAL e 176 " (cutoff:3.500A) Processing helix chain 'e' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS e 198 " --> pdb=" O ARG e 194 " (cutoff:3.500A) Processing helix chain 'e' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL e 219 " --> pdb=" O TRP e 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG e 222 " --> pdb=" O VAL e 218 " (cutoff:3.500A) Processing helix chain 'e' and resid 227 through 242 removed outlier: 3.544A pdb=" N MET e 233 " --> pdb=" O LEU e 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG e 242 " --> pdb=" O LEU e 238 " (cutoff:3.500A) Processing helix chain 'e' and resid 248 through 259 removed outlier: 3.570A pdb=" N MET e 253 " --> pdb=" O ARG e 249 " (cutoff:3.500A) Processing helix chain 'e' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU e 271 " --> pdb=" O ALA e 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR e 272 " --> pdb=" O SER e 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE e 273 " --> pdb=" O PHE e 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS e 274 " --> pdb=" O ILE e 270 " (cutoff:3.500A) Processing helix chain 'e' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY e 291 " --> pdb=" O HIS e 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU e 292 " --> pdb=" O GLU e 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER e 294 " --> pdb=" O ASP e 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR e 295 " --> pdb=" O GLY e 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU e 297 " --> pdb=" O LEU e 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER e 298 " --> pdb=" O SER e 294 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEU e 302 " --> pdb=" O SER e 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR e 303 " --> pdb=" O LEU e 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN e 304 " --> pdb=" O MET e 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET e 306 " --> pdb=" O LEU e 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY e 307 " --> pdb=" O TYR e 303 " (cutoff:3.500A) Processing helix chain 'e' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE e 320 " --> pdb=" O GLU e 317 " (cutoff:3.500A) Processing helix chain 'e' and resid 329 through 340 Processing helix chain 'e' and resid 358 through 373 removed outlier: 3.880A pdb=" N LEU e 364 " --> pdb=" O ALA e 360 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N GLN e 366 " --> pdb=" O PHE e 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL e 369 " --> pdb=" O GLY e 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARG e 370 " --> pdb=" O GLN e 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA e 373 " --> pdb=" O VAL e 369 " (cutoff:3.500A) Processing helix chain 'g' and resid 2 through 11 Processing helix chain 'g' and resid 12 through 15 Processing helix chain 'g' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP g 53 " --> pdb=" O SER g 49 " (cutoff:3.500A) Processing helix chain 'g' and resid 65 through 78 Processing helix chain 'g' and resid 83 through 92 removed outlier: 3.595A pdb=" N GLN g 89 " --> pdb=" O GLY g 85 " (cutoff:3.500A) Processing helix chain 'g' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE g 170 " --> pdb=" O ILE g 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN g 173 " --> pdb=" O THR g 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL g 176 " --> pdb=" O ALA g 172 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N VAL g 178 " --> pdb=" O ILE g 174 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA g 179 " --> pdb=" O TRP g 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS g 180 " --> pdb=" O VAL g 176 " (cutoff:3.500A) Processing helix chain 'g' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS g 198 " --> pdb=" O ARG g 194 " (cutoff:3.500A) Processing helix chain 'g' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL g 219 " --> pdb=" O TRP g 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG g 222 " --> pdb=" O VAL g 218 " (cutoff:3.500A) Processing helix chain 'g' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET g 233 " --> pdb=" O LEU g 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG g 242 " --> pdb=" O LEU g 238 " (cutoff:3.500A) Processing helix chain 'g' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET g 253 " --> pdb=" O ARG g 249 " (cutoff:3.500A) Processing helix chain 'g' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU g 271 " --> pdb=" O ALA g 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR g 272 " --> pdb=" O SER g 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE g 273 " --> pdb=" O PHE g 269 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N LYS g 274 " --> pdb=" O ILE g 270 " (cutoff:3.500A) Processing helix chain 'g' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY g 291 " --> pdb=" O HIS g 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU g 292 " --> pdb=" O GLU g 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER g 294 " --> pdb=" O ASP g 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR g 295 " --> pdb=" O GLY g 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU g 297 " --> pdb=" O LEU g 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER g 298 " --> pdb=" O SER g 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU g 302 " --> pdb=" O SER g 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR g 303 " --> pdb=" O LEU g 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN g 304 " --> pdb=" O MET g 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET g 306 " --> pdb=" O LEU g 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY g 307 " --> pdb=" O TYR g 303 " (cutoff:3.500A) Processing helix chain 'g' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE g 320 " --> pdb=" O GLU g 317 " (cutoff:3.500A) Processing helix chain 'g' and resid 329 through 340 Processing helix chain 'g' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU g 364 " --> pdb=" O ALA g 360 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N GLN g 366 " --> pdb=" O PHE g 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL g 369 " --> pdb=" O GLY g 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARG g 370 " --> pdb=" O GLN g 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA g 373 " --> pdb=" O VAL g 369 " (cutoff:3.500A) Processing helix chain 'i' and resid 2 through 11 Processing helix chain 'i' and resid 12 through 15 Processing helix chain 'i' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP i 53 " --> pdb=" O SER i 49 " (cutoff:3.500A) Processing helix chain 'i' and resid 65 through 78 Processing helix chain 'i' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN i 89 " --> pdb=" O GLY i 85 " (cutoff:3.500A) Processing helix chain 'i' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE i 170 " --> pdb=" O ILE i 166 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLN i 173 " --> pdb=" O THR i 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL i 176 " --> pdb=" O ALA i 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL i 178 " --> pdb=" O ILE i 174 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA i 179 " --> pdb=" O TRP i 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS i 180 " --> pdb=" O VAL i 176 " (cutoff:3.500A) Processing helix chain 'i' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS i 198 " --> pdb=" O ARG i 194 " (cutoff:3.500A) Processing helix chain 'i' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL i 219 " --> pdb=" O TRP i 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG i 222 " --> pdb=" O VAL i 218 " (cutoff:3.500A) Processing helix chain 'i' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET i 233 " --> pdb=" O LEU i 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG i 242 " --> pdb=" O LEU i 238 " (cutoff:3.500A) Processing helix chain 'i' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET i 253 " --> pdb=" O ARG i 249 " (cutoff:3.500A) Processing helix chain 'i' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU i 271 " --> pdb=" O ALA i 267 " (cutoff:3.500A) removed outlier: 5.759A pdb=" N THR i 272 " --> pdb=" O SER i 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE i 273 " --> pdb=" O PHE i 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS i 274 " --> pdb=" O ILE i 270 " (cutoff:3.500A) Processing helix chain 'i' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY i 291 " --> pdb=" O HIS i 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU i 292 " --> pdb=" O GLU i 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER i 294 " --> pdb=" O ASP i 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR i 295 " --> pdb=" O GLY i 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU i 297 " --> pdb=" O LEU i 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER i 298 " --> pdb=" O SER i 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU i 302 " --> pdb=" O SER i 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR i 303 " --> pdb=" O LEU i 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN i 304 " --> pdb=" O MET i 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET i 306 " --> pdb=" O LEU i 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY i 307 " --> pdb=" O TYR i 303 " (cutoff:3.500A) Processing helix chain 'i' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE i 320 " --> pdb=" O GLU i 317 " (cutoff:3.500A) Processing helix chain 'i' and resid 329 through 340 Processing helix chain 'i' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU i 364 " --> pdb=" O ALA i 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN i 366 " --> pdb=" O PHE i 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL i 369 " --> pdb=" O GLY i 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG i 370 " --> pdb=" O GLN i 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA i 373 " --> pdb=" O VAL i 369 " (cutoff:3.500A) Processing helix chain 'k' and resid 2 through 11 Processing helix chain 'k' and resid 12 through 15 Processing helix chain 'k' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP k 53 " --> pdb=" O SER k 49 " (cutoff:3.500A) Processing helix chain 'k' and resid 65 through 78 Processing helix chain 'k' and resid 83 through 92 removed outlier: 3.595A pdb=" N GLN k 89 " --> pdb=" O GLY k 85 " (cutoff:3.500A) Processing helix chain 'k' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE k 170 " --> pdb=" O ILE k 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN k 173 " --> pdb=" O THR k 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL k 176 " --> pdb=" O ALA k 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL k 178 " --> pdb=" O ILE k 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA k 179 " --> pdb=" O TRP k 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS k 180 " --> pdb=" O VAL k 176 " (cutoff:3.500A) Processing helix chain 'k' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS k 198 " --> pdb=" O ARG k 194 " (cutoff:3.500A) Processing helix chain 'k' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL k 219 " --> pdb=" O TRP k 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG k 222 " --> pdb=" O VAL k 218 " (cutoff:3.500A) Processing helix chain 'k' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET k 233 " --> pdb=" O LEU k 229 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ARG k 242 " --> pdb=" O LEU k 238 " (cutoff:3.500A) Processing helix chain 'k' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET k 253 " --> pdb=" O ARG k 249 " (cutoff:3.500A) Processing helix chain 'k' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU k 271 " --> pdb=" O ALA k 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR k 272 " --> pdb=" O SER k 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE k 273 " --> pdb=" O PHE k 269 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N LYS k 274 " --> pdb=" O ILE k 270 " (cutoff:3.500A) Processing helix chain 'k' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY k 291 " --> pdb=" O HIS k 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU k 292 " --> pdb=" O GLU k 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER k 294 " --> pdb=" O ASP k 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR k 295 " --> pdb=" O GLY k 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU k 297 " --> pdb=" O LEU k 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER k 298 " --> pdb=" O SER k 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU k 302 " --> pdb=" O SER k 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR k 303 " --> pdb=" O LEU k 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN k 304 " --> pdb=" O MET k 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET k 306 " --> pdb=" O LEU k 302 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLY k 307 " --> pdb=" O TYR k 303 " (cutoff:3.500A) Processing helix chain 'k' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE k 320 " --> pdb=" O GLU k 317 " (cutoff:3.500A) Processing helix chain 'k' and resid 329 through 340 Processing helix chain 'k' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU k 364 " --> pdb=" O ALA k 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN k 366 " --> pdb=" O PHE k 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL k 369 " --> pdb=" O GLY k 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARG k 370 " --> pdb=" O GLN k 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA k 373 " --> pdb=" O VAL k 369 " (cutoff:3.500A) Processing helix chain 'm' and resid 2 through 11 Processing helix chain 'm' and resid 12 through 15 Processing helix chain 'm' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP m 53 " --> pdb=" O SER m 49 " (cutoff:3.500A) Processing helix chain 'm' and resid 65 through 78 Processing helix chain 'm' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN m 89 " --> pdb=" O GLY m 85 " (cutoff:3.500A) Processing helix chain 'm' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE m 170 " --> pdb=" O ILE m 166 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLN m 173 " --> pdb=" O THR m 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL m 176 " --> pdb=" O ALA m 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL m 178 " --> pdb=" O ILE m 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA m 179 " --> pdb=" O TRP m 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS m 180 " --> pdb=" O VAL m 176 " (cutoff:3.500A) Processing helix chain 'm' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS m 198 " --> pdb=" O ARG m 194 " (cutoff:3.500A) Processing helix chain 'm' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL m 219 " --> pdb=" O TRP m 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG m 222 " --> pdb=" O VAL m 218 " (cutoff:3.500A) Processing helix chain 'm' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET m 233 " --> pdb=" O LEU m 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG m 242 " --> pdb=" O LEU m 238 " (cutoff:3.500A) Processing helix chain 'm' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET m 253 " --> pdb=" O ARG m 249 " (cutoff:3.500A) Processing helix chain 'm' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU m 271 " --> pdb=" O ALA m 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR m 272 " --> pdb=" O SER m 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE m 273 " --> pdb=" O PHE m 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS m 274 " --> pdb=" O ILE m 270 " (cutoff:3.500A) Processing helix chain 'm' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY m 291 " --> pdb=" O HIS m 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU m 292 " --> pdb=" O GLU m 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER m 294 " --> pdb=" O ASP m 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR m 295 " --> pdb=" O GLY m 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU m 297 " --> pdb=" O LEU m 293 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N SER m 298 " --> pdb=" O SER m 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU m 302 " --> pdb=" O SER m 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR m 303 " --> pdb=" O LEU m 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN m 304 " --> pdb=" O MET m 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET m 306 " --> pdb=" O LEU m 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY m 307 " --> pdb=" O TYR m 303 " (cutoff:3.500A) Processing helix chain 'm' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE m 320 " --> pdb=" O GLU m 317 " (cutoff:3.500A) Processing helix chain 'm' and resid 329 through 340 Processing helix chain 'm' and resid 358 through 373 removed outlier: 3.878A pdb=" N LEU m 364 " --> pdb=" O ALA m 360 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N GLN m 366 " --> pdb=" O PHE m 362 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VAL m 369 " --> pdb=" O GLY m 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARG m 370 " --> pdb=" O GLN m 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA m 373 " --> pdb=" O VAL m 369 " (cutoff:3.500A) Processing helix chain 'o' and resid 2 through 11 Processing helix chain 'o' and resid 12 through 15 Processing helix chain 'o' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP o 53 " --> pdb=" O SER o 49 " (cutoff:3.500A) Processing helix chain 'o' and resid 65 through 78 Processing helix chain 'o' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN o 89 " --> pdb=" O GLY o 85 " (cutoff:3.500A) Processing helix chain 'o' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE o 170 " --> pdb=" O ILE o 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN o 173 " --> pdb=" O THR o 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL o 176 " --> pdb=" O ALA o 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL o 178 " --> pdb=" O ILE o 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA o 179 " --> pdb=" O TRP o 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS o 180 " --> pdb=" O VAL o 176 " (cutoff:3.500A) Processing helix chain 'o' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS o 198 " --> pdb=" O ARG o 194 " (cutoff:3.500A) Processing helix chain 'o' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL o 219 " --> pdb=" O TRP o 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG o 222 " --> pdb=" O VAL o 218 " (cutoff:3.500A) Processing helix chain 'o' and resid 227 through 242 removed outlier: 3.546A pdb=" N MET o 233 " --> pdb=" O LEU o 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG o 242 " --> pdb=" O LEU o 238 " (cutoff:3.500A) Processing helix chain 'o' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET o 253 " --> pdb=" O ARG o 249 " (cutoff:3.500A) Processing helix chain 'o' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEU o 271 " --> pdb=" O ALA o 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR o 272 " --> pdb=" O SER o 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE o 273 " --> pdb=" O PHE o 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS o 274 " --> pdb=" O ILE o 270 " (cutoff:3.500A) Processing helix chain 'o' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY o 291 " --> pdb=" O HIS o 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU o 292 " --> pdb=" O GLU o 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER o 294 " --> pdb=" O ASP o 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR o 295 " --> pdb=" O GLY o 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU o 297 " --> pdb=" O LEU o 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER o 298 " --> pdb=" O SER o 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU o 302 " --> pdb=" O SER o 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR o 303 " --> pdb=" O LEU o 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN o 304 " --> pdb=" O MET o 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET o 306 " --> pdb=" O LEU o 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY o 307 " --> pdb=" O TYR o 303 " (cutoff:3.500A) Processing helix chain 'o' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE o 320 " --> pdb=" O GLU o 317 " (cutoff:3.500A) Processing helix chain 'o' and resid 329 through 340 Processing helix chain 'o' and resid 358 through 373 removed outlier: 3.880A pdb=" N LEU o 364 " --> pdb=" O ALA o 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN o 366 " --> pdb=" O PHE o 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL o 369 " --> pdb=" O GLY o 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG o 370 " --> pdb=" O GLN o 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA o 373 " --> pdb=" O VAL o 369 " (cutoff:3.500A) Processing helix chain 'q' and resid 2 through 11 Processing helix chain 'q' and resid 12 through 15 Processing helix chain 'q' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP q 53 " --> pdb=" O SER q 49 " (cutoff:3.500A) Processing helix chain 'q' and resid 65 through 78 Processing helix chain 'q' and resid 83 through 92 removed outlier: 3.595A pdb=" N GLN q 89 " --> pdb=" O GLY q 85 " (cutoff:3.500A) Processing helix chain 'q' and resid 162 through 180 removed outlier: 4.023A pdb=" N ILE q 170 " --> pdb=" O ILE q 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN q 173 " --> pdb=" O THR q 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL q 176 " --> pdb=" O ALA q 172 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N VAL q 178 " --> pdb=" O ILE q 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA q 179 " --> pdb=" O TRP q 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS q 180 " --> pdb=" O VAL q 176 " (cutoff:3.500A) Processing helix chain 'q' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS q 198 " --> pdb=" O ARG q 194 " (cutoff:3.500A) Processing helix chain 'q' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL q 219 " --> pdb=" O TRP q 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG q 222 " --> pdb=" O VAL q 218 " (cutoff:3.500A) Processing helix chain 'q' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET q 233 " --> pdb=" O LEU q 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG q 242 " --> pdb=" O LEU q 238 " (cutoff:3.500A) Processing helix chain 'q' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET q 253 " --> pdb=" O ARG q 249 " (cutoff:3.500A) Processing helix chain 'q' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU q 271 " --> pdb=" O ALA q 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR q 272 " --> pdb=" O SER q 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE q 273 " --> pdb=" O PHE q 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS q 274 " --> pdb=" O ILE q 270 " (cutoff:3.500A) Processing helix chain 'q' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY q 291 " --> pdb=" O HIS q 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU q 292 " --> pdb=" O GLU q 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER q 294 " --> pdb=" O ASP q 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR q 295 " --> pdb=" O GLY q 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU q 297 " --> pdb=" O LEU q 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER q 298 " --> pdb=" O SER q 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU q 302 " --> pdb=" O SER q 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR q 303 " --> pdb=" O LEU q 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN q 304 " --> pdb=" O MET q 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET q 306 " --> pdb=" O LEU q 302 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLY q 307 " --> pdb=" O TYR q 303 " (cutoff:3.500A) Processing helix chain 'q' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE q 320 " --> pdb=" O GLU q 317 " (cutoff:3.500A) Processing helix chain 'q' and resid 329 through 340 Processing helix chain 'q' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU q 364 " --> pdb=" O ALA q 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN q 366 " --> pdb=" O PHE q 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL q 369 " --> pdb=" O GLY q 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARG q 370 " --> pdb=" O GLN q 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA q 373 " --> pdb=" O VAL q 369 " (cutoff:3.500A) Processing helix chain 's' and resid 2 through 11 Processing helix chain 's' and resid 12 through 15 Processing helix chain 's' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP s 53 " --> pdb=" O SER s 49 " (cutoff:3.500A) Processing helix chain 's' and resid 65 through 78 Processing helix chain 's' and resid 83 through 92 removed outlier: 3.593A pdb=" N GLN s 89 " --> pdb=" O GLY s 85 " (cutoff:3.500A) Processing helix chain 's' and resid 162 through 180 removed outlier: 4.023A pdb=" N ILE s 170 " --> pdb=" O ILE s 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN s 173 " --> pdb=" O THR s 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL s 176 " --> pdb=" O ALA s 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL s 178 " --> pdb=" O ILE s 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA s 179 " --> pdb=" O TRP s 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS s 180 " --> pdb=" O VAL s 176 " (cutoff:3.500A) Processing helix chain 's' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS s 198 " --> pdb=" O ARG s 194 " (cutoff:3.500A) Processing helix chain 's' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL s 219 " --> pdb=" O TRP s 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG s 222 " --> pdb=" O VAL s 218 " (cutoff:3.500A) Processing helix chain 's' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET s 233 " --> pdb=" O LEU s 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG s 242 " --> pdb=" O LEU s 238 " (cutoff:3.500A) Processing helix chain 's' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET s 253 " --> pdb=" O ARG s 249 " (cutoff:3.500A) Processing helix chain 's' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU s 271 " --> pdb=" O ALA s 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR s 272 " --> pdb=" O SER s 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE s 273 " --> pdb=" O PHE s 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS s 274 " --> pdb=" O ILE s 270 " (cutoff:3.500A) Processing helix chain 's' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY s 291 " --> pdb=" O HIS s 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU s 292 " --> pdb=" O GLU s 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER s 294 " --> pdb=" O ASP s 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR s 295 " --> pdb=" O GLY s 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU s 297 " --> pdb=" O LEU s 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER s 298 " --> pdb=" O SER s 294 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEU s 302 " --> pdb=" O SER s 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR s 303 " --> pdb=" O LEU s 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN s 304 " --> pdb=" O MET s 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET s 306 " --> pdb=" O LEU s 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY s 307 " --> pdb=" O TYR s 303 " (cutoff:3.500A) Processing helix chain 's' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE s 320 " --> pdb=" O GLU s 317 " (cutoff:3.500A) Processing helix chain 's' and resid 329 through 340 Processing helix chain 's' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU s 364 " --> pdb=" O ALA s 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN s 366 " --> pdb=" O PHE s 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL s 369 " --> pdb=" O GLY s 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARG s 370 " --> pdb=" O GLN s 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA s 373 " --> pdb=" O VAL s 369 " (cutoff:3.500A) Processing helix chain 'u' and resid 2 through 11 Processing helix chain 'u' and resid 12 through 15 Processing helix chain 'u' and resid 47 through 60 removed outlier: 4.022A pdb=" N ASP u 53 " --> pdb=" O SER u 49 " (cutoff:3.500A) Processing helix chain 'u' and resid 65 through 78 Processing helix chain 'u' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN u 89 " --> pdb=" O GLY u 85 " (cutoff:3.500A) Processing helix chain 'u' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE u 170 " --> pdb=" O ILE u 166 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLN u 173 " --> pdb=" O THR u 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL u 176 " --> pdb=" O ALA u 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL u 178 " --> pdb=" O ILE u 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA u 179 " --> pdb=" O TRP u 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS u 180 " --> pdb=" O VAL u 176 " (cutoff:3.500A) Processing helix chain 'u' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYS u 198 " --> pdb=" O ARG u 194 " (cutoff:3.500A) Processing helix chain 'u' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL u 219 " --> pdb=" O TRP u 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG u 222 " --> pdb=" O VAL u 218 " (cutoff:3.500A) Processing helix chain 'u' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET u 233 " --> pdb=" O LEU u 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG u 242 " --> pdb=" O LEU u 238 " (cutoff:3.500A) Processing helix chain 'u' and resid 248 through 259 removed outlier: 3.570A pdb=" N MET u 253 " --> pdb=" O ARG u 249 " (cutoff:3.500A) Processing helix chain 'u' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU u 271 " --> pdb=" O ALA u 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR u 272 " --> pdb=" O SER u 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE u 273 " --> pdb=" O PHE u 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS u 274 " --> pdb=" O ILE u 270 " (cutoff:3.500A) Processing helix chain 'u' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY u 291 " --> pdb=" O HIS u 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLU u 292 " --> pdb=" O GLU u 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER u 294 " --> pdb=" O ASP u 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR u 295 " --> pdb=" O GLY u 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU u 297 " --> pdb=" O LEU u 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER u 298 " --> pdb=" O SER u 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU u 302 " --> pdb=" O SER u 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR u 303 " --> pdb=" O LEU u 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN u 304 " --> pdb=" O MET u 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET u 306 " --> pdb=" O LEU u 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY u 307 " --> pdb=" O TYR u 303 " (cutoff:3.500A) Processing helix chain 'u' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE u 320 " --> pdb=" O GLU u 317 " (cutoff:3.500A) Processing helix chain 'u' and resid 329 through 340 Processing helix chain 'u' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU u 364 " --> pdb=" O ALA u 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN u 366 " --> pdb=" O PHE u 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL u 369 " --> pdb=" O GLY u 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG u 370 " --> pdb=" O GLN u 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA u 373 " --> pdb=" O VAL u 369 " (cutoff:3.500A) Processing helix chain 'w' and resid 2 through 11 Processing helix chain 'w' and resid 12 through 15 Processing helix chain 'w' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP w 53 " --> pdb=" O SER w 49 " (cutoff:3.500A) Processing helix chain 'w' and resid 65 through 78 Processing helix chain 'w' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLN w 89 " --> pdb=" O GLY w 85 " (cutoff:3.500A) Processing helix chain 'w' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE w 170 " --> pdb=" O ILE w 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN w 173 " --> pdb=" O THR w 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL w 176 " --> pdb=" O ALA w 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL w 178 " --> pdb=" O ILE w 174 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA w 179 " --> pdb=" O TRP w 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS w 180 " --> pdb=" O VAL w 176 " (cutoff:3.500A) Processing helix chain 'w' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS w 198 " --> pdb=" O ARG w 194 " (cutoff:3.500A) Processing helix chain 'w' and resid 212 through 226 removed outlier: 3.603A pdb=" N VAL w 219 " --> pdb=" O TRP w 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG w 222 " --> pdb=" O VAL w 218 " (cutoff:3.500A) Processing helix chain 'w' and resid 227 through 242 removed outlier: 3.545A pdb=" N MET w 233 " --> pdb=" O LEU w 229 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ARG w 242 " --> pdb=" O LEU w 238 " (cutoff:3.500A) Processing helix chain 'w' and resid 248 through 259 removed outlier: 3.571A pdb=" N MET w 253 " --> pdb=" O ARG w 249 " (cutoff:3.500A) Processing helix chain 'w' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU w 271 " --> pdb=" O ALA w 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THR w 272 " --> pdb=" O SER w 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILE w 273 " --> pdb=" O PHE w 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS w 274 " --> pdb=" O ILE w 270 " (cutoff:3.500A) Processing helix chain 'w' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY w 291 " --> pdb=" O HIS w 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU w 292 " --> pdb=" O GLU w 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER w 294 " --> pdb=" O ASP w 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR w 295 " --> pdb=" O GLY w 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU w 297 " --> pdb=" O LEU w 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER w 298 " --> pdb=" O SER w 294 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEU w 302 " --> pdb=" O SER w 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR w 303 " --> pdb=" O LEU w 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN w 304 " --> pdb=" O MET w 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET w 306 " --> pdb=" O LEU w 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY w 307 " --> pdb=" O TYR w 303 " (cutoff:3.500A) Processing helix chain 'w' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILE w 320 " --> pdb=" O GLU w 317 " (cutoff:3.500A) Processing helix chain 'w' and resid 329 through 340 Processing helix chain 'w' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU w 364 " --> pdb=" O ALA w 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN w 366 " --> pdb=" O PHE w 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL w 369 " --> pdb=" O GLY w 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG w 370 " --> pdb=" O GLN w 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA w 373 " --> pdb=" O VAL w 369 " (cutoff:3.500A) Processing helix chain 'y' and resid 2 through 11 Processing helix chain 'y' and resid 12 through 15 Processing helix chain 'y' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASP y 53 " --> pdb=" O SER y 49 " (cutoff:3.500A) Processing helix chain 'y' and resid 65 through 78 Processing helix chain 'y' and resid 83 through 92 removed outlier: 3.595A pdb=" N GLN y 89 " --> pdb=" O GLY y 85 " (cutoff:3.500A) Processing helix chain 'y' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILE y 170 " --> pdb=" O ILE y 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN y 173 " --> pdb=" O THR y 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VAL y 176 " --> pdb=" O ALA y 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VAL y 178 " --> pdb=" O ILE y 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALA y 179 " --> pdb=" O TRP y 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS y 180 " --> pdb=" O VAL y 176 " (cutoff:3.500A) Processing helix chain 'y' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYS y 198 " --> pdb=" O ARG y 194 " (cutoff:3.500A) Processing helix chain 'y' and resid 212 through 226 removed outlier: 3.604A pdb=" N VAL y 219 " --> pdb=" O TRP y 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARG y 222 " --> pdb=" O VAL y 218 " (cutoff:3.500A) Processing helix chain 'y' and resid 227 through 242 removed outlier: 3.544A pdb=" N MET y 233 " --> pdb=" O LEU y 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG y 242 " --> pdb=" O LEU y 238 " (cutoff:3.500A) Processing helix chain 'y' and resid 248 through 259 removed outlier: 3.570A pdb=" N MET y 253 " --> pdb=" O ARG y 249 " (cutoff:3.500A) Processing helix chain 'y' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEU y 271 " --> pdb=" O ALA y 267 " (cutoff:3.500A) removed outlier: 5.759A pdb=" N THR y 272 " --> pdb=" O SER y 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE y 273 " --> pdb=" O PHE y 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS y 274 " --> pdb=" O ILE y 270 " (cutoff:3.500A) Processing helix chain 'y' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLY y 291 " --> pdb=" O HIS y 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLU y 292 " --> pdb=" O GLU y 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SER y 294 " --> pdb=" O ASP y 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR y 295 " --> pdb=" O GLY y 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU y 297 " --> pdb=" O LEU y 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER y 298 " --> pdb=" O SER y 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU y 302 " --> pdb=" O SER y 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR y 303 " --> pdb=" O LEU y 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN y 304 " --> pdb=" O MET y 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N MET y 306 " --> pdb=" O LEU y 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLY y 307 " --> pdb=" O TYR y 303 " (cutoff:3.500A) Processing helix chain 'y' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILE y 320 " --> pdb=" O GLU y 317 " (cutoff:3.500A) Processing helix chain 'y' and resid 329 through 340 Processing helix chain 'y' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEU y 364 " --> pdb=" O ALA y 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN y 366 " --> pdb=" O PHE y 362 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VAL y 369 " --> pdb=" O GLY y 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARG y 370 " --> pdb=" O GLN y 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALA y 373 " --> pdb=" O VAL y 369 " (cutoff:3.500A) Processing helix chain 'AA' and resid 2 through 11 Processing helix chain 'AA' and resid 12 through 15 Processing helix chain 'AA' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASPAA 53 " --> pdb=" O SERAA 49 " (cutoff:3.500A) Processing helix chain 'AA' and resid 65 through 78 Processing helix chain 'AA' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLNAA 89 " --> pdb=" O GLYAA 85 " (cutoff:3.500A) Processing helix chain 'AA' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILEAA 170 " --> pdb=" O ILEAA 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLNAA 173 " --> pdb=" O THRAA 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VALAA 176 " --> pdb=" O ALAAA 172 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N VALAA 178 " --> pdb=" O ILEAA 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALAAA 179 " --> pdb=" O TRPAA 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYSAA 180 " --> pdb=" O VALAA 176 " (cutoff:3.500A) Processing helix chain 'AA' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYSAA 198 " --> pdb=" O ARGAA 194 " (cutoff:3.500A) Processing helix chain 'AA' and resid 212 through 226 removed outlier: 3.603A pdb=" N VALAA 219 " --> pdb=" O TRPAA 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARGAA 222 " --> pdb=" O VALAA 218 " (cutoff:3.500A) Processing helix chain 'AA' and resid 227 through 242 removed outlier: 3.545A pdb=" N METAA 233 " --> pdb=" O LEUAA 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARGAA 242 " --> pdb=" O LEUAA 238 " (cutoff:3.500A) Processing helix chain 'AA' and resid 248 through 259 removed outlier: 3.571A pdb=" N METAA 253 " --> pdb=" O ARGAA 249 " (cutoff:3.500A) Processing helix chain 'AA' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEUAA 271 " --> pdb=" O ALAAA 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THRAA 272 " --> pdb=" O SERAA 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILEAA 273 " --> pdb=" O PHEAA 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYSAA 274 " --> pdb=" O ILEAA 270 " (cutoff:3.500A) Processing helix chain 'AA' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLYAA 291 " --> pdb=" O HISAA 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLUAA 292 " --> pdb=" O GLUAA 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SERAA 294 " --> pdb=" O ASPAA 290 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N THRAA 295 " --> pdb=" O GLYAA 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLUAA 297 " --> pdb=" O LEUAA 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SERAA 298 " --> pdb=" O SERAA 294 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEUAA 302 " --> pdb=" O SERAA 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYRAA 303 " --> pdb=" O LEUAA 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLNAA 304 " --> pdb=" O METAA 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N METAA 306 " --> pdb=" O LEUAA 302 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLYAA 307 " --> pdb=" O TYRAA 303 " (cutoff:3.500A) Processing helix chain 'AA' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILEAA 320 " --> pdb=" O GLUAA 317 " (cutoff:3.500A) Processing helix chain 'AA' and resid 329 through 340 Processing helix chain 'AA' and resid 358 through 373 removed outlier: 3.880A pdb=" N LEUAA 364 " --> pdb=" O ALAAA 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLNAA 366 " --> pdb=" O PHEAA 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VALAA 369 " --> pdb=" O GLYAA 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARGAA 370 " --> pdb=" O GLNAA 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALAAA 373 " --> pdb=" O VALAA 369 " (cutoff:3.500A) Processing helix chain 'AC' and resid 2 through 11 Processing helix chain 'AC' and resid 12 through 15 Processing helix chain 'AC' and resid 47 through 60 removed outlier: 4.020A pdb=" N ASPAC 53 " --> pdb=" O SERAC 49 " (cutoff:3.500A) Processing helix chain 'AC' and resid 65 through 78 Processing helix chain 'AC' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLNAC 89 " --> pdb=" O GLYAC 85 " (cutoff:3.500A) Processing helix chain 'AC' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILEAC 170 " --> pdb=" O ILEAC 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLNAC 173 " --> pdb=" O THRAC 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VALAC 176 " --> pdb=" O ALAAC 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VALAC 178 " --> pdb=" O ILEAC 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALAAC 179 " --> pdb=" O TRPAC 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYSAC 180 " --> pdb=" O VALAC 176 " (cutoff:3.500A) Processing helix chain 'AC' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYSAC 198 " --> pdb=" O ARGAC 194 " (cutoff:3.500A) Processing helix chain 'AC' and resid 212 through 226 removed outlier: 3.604A pdb=" N VALAC 219 " --> pdb=" O TRPAC 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARGAC 222 " --> pdb=" O VALAC 218 " (cutoff:3.500A) Processing helix chain 'AC' and resid 227 through 242 removed outlier: 3.545A pdb=" N METAC 233 " --> pdb=" O LEUAC 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARGAC 242 " --> pdb=" O LEUAC 238 " (cutoff:3.500A) Processing helix chain 'AC' and resid 248 through 259 removed outlier: 3.571A pdb=" N METAC 253 " --> pdb=" O ARGAC 249 " (cutoff:3.500A) Processing helix chain 'AC' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEUAC 271 " --> pdb=" O ALAAC 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THRAC 272 " --> pdb=" O SERAC 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILEAC 273 " --> pdb=" O PHEAC 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYSAC 274 " --> pdb=" O ILEAC 270 " (cutoff:3.500A) Processing helix chain 'AC' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLYAC 291 " --> pdb=" O HISAC 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLUAC 292 " --> pdb=" O GLUAC 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SERAC 294 " --> pdb=" O ASPAC 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THRAC 295 " --> pdb=" O GLYAC 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLUAC 297 " --> pdb=" O LEUAC 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SERAC 298 " --> pdb=" O SERAC 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEUAC 302 " --> pdb=" O SERAC 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYRAC 303 " --> pdb=" O LEUAC 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLNAC 304 " --> pdb=" O METAC 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N METAC 306 " --> pdb=" O LEUAC 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLYAC 307 " --> pdb=" O TYRAC 303 " (cutoff:3.500A) Processing helix chain 'AC' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILEAC 320 " --> pdb=" O GLUAC 317 " (cutoff:3.500A) Processing helix chain 'AC' and resid 329 through 340 Processing helix chain 'AC' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEUAC 364 " --> pdb=" O ALAAC 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLNAC 366 " --> pdb=" O PHEAC 362 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VALAC 369 " --> pdb=" O GLYAC 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARGAC 370 " --> pdb=" O GLNAC 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALAAC 373 " --> pdb=" O VALAC 369 " (cutoff:3.500A) Processing helix chain 'AE' and resid 2 through 11 Processing helix chain 'AE' and resid 12 through 15 Processing helix chain 'AE' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASPAE 53 " --> pdb=" O SERAE 49 " (cutoff:3.500A) Processing helix chain 'AE' and resid 65 through 78 Processing helix chain 'AE' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLNAE 89 " --> pdb=" O GLYAE 85 " (cutoff:3.500A) Processing helix chain 'AE' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILEAE 170 " --> pdb=" O ILEAE 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLNAE 173 " --> pdb=" O THRAE 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VALAE 176 " --> pdb=" O ALAAE 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VALAE 178 " --> pdb=" O ILEAE 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALAAE 179 " --> pdb=" O TRPAE 175 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N LYSAE 180 " --> pdb=" O VALAE 176 " (cutoff:3.500A) Processing helix chain 'AE' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYSAE 198 " --> pdb=" O ARGAE 194 " (cutoff:3.500A) Processing helix chain 'AE' and resid 212 through 226 removed outlier: 3.604A pdb=" N VALAE 219 " --> pdb=" O TRPAE 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARGAE 222 " --> pdb=" O VALAE 218 " (cutoff:3.500A) Processing helix chain 'AE' and resid 227 through 242 removed outlier: 3.545A pdb=" N METAE 233 " --> pdb=" O LEUAE 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARGAE 242 " --> pdb=" O LEUAE 238 " (cutoff:3.500A) Processing helix chain 'AE' and resid 248 through 259 removed outlier: 3.571A pdb=" N METAE 253 " --> pdb=" O ARGAE 249 " (cutoff:3.500A) Processing helix chain 'AE' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEUAE 271 " --> pdb=" O ALAAE 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THRAE 272 " --> pdb=" O SERAE 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILEAE 273 " --> pdb=" O PHEAE 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYSAE 274 " --> pdb=" O ILEAE 270 " (cutoff:3.500A) Processing helix chain 'AE' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLYAE 291 " --> pdb=" O HISAE 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLUAE 292 " --> pdb=" O GLUAE 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SERAE 294 " --> pdb=" O ASPAE 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THRAE 295 " --> pdb=" O GLYAE 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLUAE 297 " --> pdb=" O LEUAE 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SERAE 298 " --> pdb=" O SERAE 294 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEUAE 302 " --> pdb=" O SERAE 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYRAE 303 " --> pdb=" O LEUAE 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLNAE 304 " --> pdb=" O METAE 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N METAE 306 " --> pdb=" O LEUAE 302 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLYAE 307 " --> pdb=" O TYRAE 303 " (cutoff:3.500A) Processing helix chain 'AE' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILEAE 320 " --> pdb=" O GLUAE 317 " (cutoff:3.500A) Processing helix chain 'AE' and resid 329 through 340 Processing helix chain 'AE' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEUAE 364 " --> pdb=" O ALAAE 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLNAE 366 " --> pdb=" O PHEAE 362 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VALAE 369 " --> pdb=" O GLYAE 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARGAE 370 " --> pdb=" O GLNAE 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALAAE 373 " --> pdb=" O VALAE 369 " (cutoff:3.500A) Processing helix chain 'AG' and resid 2 through 11 Processing helix chain 'AG' and resid 12 through 15 Processing helix chain 'AG' and resid 47 through 60 removed outlier: 4.020A pdb=" N ASPAG 53 " --> pdb=" O SERAG 49 " (cutoff:3.500A) Processing helix chain 'AG' and resid 65 through 78 Processing helix chain 'AG' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLNAG 89 " --> pdb=" O GLYAG 85 " (cutoff:3.500A) Processing helix chain 'AG' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILEAG 170 " --> pdb=" O ILEAG 166 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLNAG 173 " --> pdb=" O THRAG 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VALAG 176 " --> pdb=" O ALAAG 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VALAG 178 " --> pdb=" O ILEAG 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALAAG 179 " --> pdb=" O TRPAG 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYSAG 180 " --> pdb=" O VALAG 176 " (cutoff:3.500A) Processing helix chain 'AG' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYSAG 198 " --> pdb=" O ARGAG 194 " (cutoff:3.500A) Processing helix chain 'AG' and resid 212 through 226 removed outlier: 3.604A pdb=" N VALAG 219 " --> pdb=" O TRPAG 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARGAG 222 " --> pdb=" O VALAG 218 " (cutoff:3.500A) Processing helix chain 'AG' and resid 227 through 242 removed outlier: 3.546A pdb=" N METAG 233 " --> pdb=" O LEUAG 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARGAG 242 " --> pdb=" O LEUAG 238 " (cutoff:3.500A) Processing helix chain 'AG' and resid 248 through 259 removed outlier: 3.571A pdb=" N METAG 253 " --> pdb=" O ARGAG 249 " (cutoff:3.500A) Processing helix chain 'AG' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEUAG 271 " --> pdb=" O ALAAG 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THRAG 272 " --> pdb=" O SERAG 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILEAG 273 " --> pdb=" O PHEAG 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYSAG 274 " --> pdb=" O ILEAG 270 " (cutoff:3.500A) Processing helix chain 'AG' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLYAG 291 " --> pdb=" O HISAG 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLUAG 292 " --> pdb=" O GLUAG 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SERAG 294 " --> pdb=" O ASPAG 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THRAG 295 " --> pdb=" O GLYAG 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLUAG 297 " --> pdb=" O LEUAG 293 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N SERAG 298 " --> pdb=" O SERAG 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEUAG 302 " --> pdb=" O SERAG 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYRAG 303 " --> pdb=" O LEUAG 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLNAG 304 " --> pdb=" O METAG 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N METAG 306 " --> pdb=" O LEUAG 302 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLYAG 307 " --> pdb=" O TYRAG 303 " (cutoff:3.500A) Processing helix chain 'AG' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILEAG 320 " --> pdb=" O GLUAG 317 " (cutoff:3.500A) Processing helix chain 'AG' and resid 329 through 340 Processing helix chain 'AG' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEUAG 364 " --> pdb=" O ALAAG 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLNAG 366 " --> pdb=" O PHEAG 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VALAG 369 " --> pdb=" O GLYAG 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARGAG 370 " --> pdb=" O GLNAG 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALAAG 373 " --> pdb=" O VALAG 369 " (cutoff:3.500A) Processing helix chain 'AI' and resid 2 through 11 Processing helix chain 'AI' and resid 12 through 15 Processing helix chain 'AI' and resid 47 through 60 removed outlier: 4.020A pdb=" N ASPAI 53 " --> pdb=" O SERAI 49 " (cutoff:3.500A) Processing helix chain 'AI' and resid 65 through 78 Processing helix chain 'AI' and resid 83 through 92 removed outlier: 3.595A pdb=" N GLNAI 89 " --> pdb=" O GLYAI 85 " (cutoff:3.500A) Processing helix chain 'AI' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILEAI 170 " --> pdb=" O ILEAI 166 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLNAI 173 " --> pdb=" O THRAI 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VALAI 176 " --> pdb=" O ALAAI 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VALAI 178 " --> pdb=" O ILEAI 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALAAI 179 " --> pdb=" O TRPAI 175 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYSAI 180 " --> pdb=" O VALAI 176 " (cutoff:3.500A) Processing helix chain 'AI' and resid 192 through 198 removed outlier: 3.681A pdb=" N LYSAI 198 " --> pdb=" O ARGAI 194 " (cutoff:3.500A) Processing helix chain 'AI' and resid 212 through 226 removed outlier: 3.603A pdb=" N VALAI 219 " --> pdb=" O TRPAI 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARGAI 222 " --> pdb=" O VALAI 218 " (cutoff:3.500A) Processing helix chain 'AI' and resid 227 through 242 removed outlier: 3.546A pdb=" N METAI 233 " --> pdb=" O LEUAI 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARGAI 242 " --> pdb=" O LEUAI 238 " (cutoff:3.500A) Processing helix chain 'AI' and resid 248 through 259 removed outlier: 3.570A pdb=" N METAI 253 " --> pdb=" O ARGAI 249 " (cutoff:3.500A) Processing helix chain 'AI' and resid 266 through 277 removed outlier: 3.640A pdb=" N LEUAI 271 " --> pdb=" O ALAAI 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THRAI 272 " --> pdb=" O SERAI 268 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILEAI 273 " --> pdb=" O PHEAI 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYSAI 274 " --> pdb=" O ILEAI 270 " (cutoff:3.500A) Processing helix chain 'AI' and resid 286 through 307 removed outlier: 4.464A pdb=" N GLYAI 291 " --> pdb=" O HISAI 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLUAI 292 " --> pdb=" O GLUAI 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SERAI 294 " --> pdb=" O ASPAI 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THRAI 295 " --> pdb=" O GLYAI 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLUAI 297 " --> pdb=" O LEUAI 293 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N SERAI 298 " --> pdb=" O SERAI 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEUAI 302 " --> pdb=" O SERAI 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYRAI 303 " --> pdb=" O LEUAI 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLNAI 304 " --> pdb=" O METAI 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N METAI 306 " --> pdb=" O LEUAI 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLYAI 307 " --> pdb=" O TYRAI 303 " (cutoff:3.500A) Processing helix chain 'AI' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILEAI 320 " --> pdb=" O GLUAI 317 " (cutoff:3.500A) Processing helix chain 'AI' and resid 329 through 340 Processing helix chain 'AI' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEUAI 364 " --> pdb=" O ALAAI 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLNAI 366 " --> pdb=" O PHEAI 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VALAI 369 " --> pdb=" O GLYAI 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARGAI 370 " --> pdb=" O GLNAI 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALAAI 373 " --> pdb=" O VALAI 369 " (cutoff:3.500A) Processing helix chain 'AK' and resid 2 through 11 Processing helix chain 'AK' and resid 12 through 15 Processing helix chain 'AK' and resid 47 through 60 removed outlier: 4.020A pdb=" N ASPAK 53 " --> pdb=" O SERAK 49 " (cutoff:3.500A) Processing helix chain 'AK' and resid 65 through 78 Processing helix chain 'AK' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLNAK 89 " --> pdb=" O GLYAK 85 " (cutoff:3.500A) Processing helix chain 'AK' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILEAK 170 " --> pdb=" O ILEAK 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLNAK 173 " --> pdb=" O THRAK 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VALAK 176 " --> pdb=" O ALAAK 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VALAK 178 " --> pdb=" O ILEAK 174 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALAAK 179 " --> pdb=" O TRPAK 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYSAK 180 " --> pdb=" O VALAK 176 " (cutoff:3.500A) Processing helix chain 'AK' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYSAK 198 " --> pdb=" O ARGAK 194 " (cutoff:3.500A) Processing helix chain 'AK' and resid 212 through 226 removed outlier: 3.603A pdb=" N VALAK 219 " --> pdb=" O TRPAK 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARGAK 222 " --> pdb=" O VALAK 218 " (cutoff:3.500A) Processing helix chain 'AK' and resid 227 through 242 removed outlier: 3.546A pdb=" N METAK 233 " --> pdb=" O LEUAK 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARGAK 242 " --> pdb=" O LEUAK 238 " (cutoff:3.500A) Processing helix chain 'AK' and resid 248 through 259 removed outlier: 3.571A pdb=" N METAK 253 " --> pdb=" O ARGAK 249 " (cutoff:3.500A) Processing helix chain 'AK' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEUAK 271 " --> pdb=" O ALAAK 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THRAK 272 " --> pdb=" O SERAK 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILEAK 273 " --> pdb=" O PHEAK 269 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N LYSAK 274 " --> pdb=" O ILEAK 270 " (cutoff:3.500A) Processing helix chain 'AK' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLYAK 291 " --> pdb=" O HISAK 287 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLUAK 292 " --> pdb=" O GLUAK 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SERAK 294 " --> pdb=" O ASPAK 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THRAK 295 " --> pdb=" O GLYAK 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLUAK 297 " --> pdb=" O LEUAK 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SERAK 298 " --> pdb=" O SERAK 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEUAK 302 " --> pdb=" O SERAK 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYRAK 303 " --> pdb=" O LEUAK 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLNAK 304 " --> pdb=" O METAK 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N METAK 306 " --> pdb=" O LEUAK 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLYAK 307 " --> pdb=" O TYRAK 303 " (cutoff:3.500A) Processing helix chain 'AK' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILEAK 320 " --> pdb=" O GLUAK 317 " (cutoff:3.500A) Processing helix chain 'AK' and resid 329 through 340 Processing helix chain 'AK' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEUAK 364 " --> pdb=" O ALAAK 360 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N GLNAK 366 " --> pdb=" O PHEAK 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VALAK 369 " --> pdb=" O GLYAK 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARGAK 370 " --> pdb=" O GLNAK 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALAAK 373 " --> pdb=" O VALAK 369 " (cutoff:3.500A) Processing helix chain 'AM' and resid 2 through 11 Processing helix chain 'AM' and resid 12 through 15 Processing helix chain 'AM' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASPAM 53 " --> pdb=" O SERAM 49 " (cutoff:3.500A) Processing helix chain 'AM' and resid 65 through 78 Processing helix chain 'AM' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLNAM 89 " --> pdb=" O GLYAM 85 " (cutoff:3.500A) Processing helix chain 'AM' and resid 162 through 180 removed outlier: 4.022A pdb=" N ILEAM 170 " --> pdb=" O ILEAM 166 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLNAM 173 " --> pdb=" O THRAM 169 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VALAM 176 " --> pdb=" O ALAAM 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VALAM 178 " --> pdb=" O ILEAM 174 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALAAM 179 " --> pdb=" O TRPAM 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYSAM 180 " --> pdb=" O VALAM 176 " (cutoff:3.500A) Processing helix chain 'AM' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYSAM 198 " --> pdb=" O ARGAM 194 " (cutoff:3.500A) Processing helix chain 'AM' and resid 212 through 226 removed outlier: 3.603A pdb=" N VALAM 219 " --> pdb=" O TRPAM 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARGAM 222 " --> pdb=" O VALAM 218 " (cutoff:3.500A) Processing helix chain 'AM' and resid 227 through 242 removed outlier: 3.545A pdb=" N METAM 233 " --> pdb=" O LEUAM 229 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARGAM 242 " --> pdb=" O LEUAM 238 " (cutoff:3.500A) Processing helix chain 'AM' and resid 248 through 259 removed outlier: 3.571A pdb=" N METAM 253 " --> pdb=" O ARGAM 249 " (cutoff:3.500A) Processing helix chain 'AM' and resid 266 through 277 removed outlier: 3.642A pdb=" N LEUAM 271 " --> pdb=" O ALAAM 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THRAM 272 " --> pdb=" O SERAM 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILEAM 273 " --> pdb=" O PHEAM 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYSAM 274 " --> pdb=" O ILEAM 270 " (cutoff:3.500A) Processing helix chain 'AM' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLYAM 291 " --> pdb=" O HISAM 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLUAM 292 " --> pdb=" O GLUAM 288 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SERAM 294 " --> pdb=" O ASPAM 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THRAM 295 " --> pdb=" O GLYAM 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLUAM 297 " --> pdb=" O LEUAM 293 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SERAM 298 " --> pdb=" O SERAM 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEUAM 302 " --> pdb=" O SERAM 298 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYRAM 303 " --> pdb=" O LEUAM 299 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLNAM 304 " --> pdb=" O METAM 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N METAM 306 " --> pdb=" O LEUAM 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLYAM 307 " --> pdb=" O TYRAM 303 " (cutoff:3.500A) Processing helix chain 'AM' and resid 317 through 321 removed outlier: 4.284A pdb=" N ILEAM 320 " --> pdb=" O GLUAM 317 " (cutoff:3.500A) Processing helix chain 'AM' and resid 329 through 340 Processing helix chain 'AM' and resid 358 through 373 removed outlier: 3.879A pdb=" N LEUAM 364 " --> pdb=" O ALAAM 360 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLNAM 366 " --> pdb=" O PHEAM 362 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VALAM 369 " --> pdb=" O GLYAM 365 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ARGAM 370 " --> pdb=" O GLNAM 366 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALAAM 373 " --> pdb=" O VALAM 369 " (cutoff:3.500A) Processing helix chain 'AO' and resid 2 through 11 Processing helix chain 'AO' and resid 12 through 15 Processing helix chain 'AO' and resid 47 through 60 removed outlier: 4.021A pdb=" N ASPAO 53 " --> pdb=" O SERAO 49 " (cutoff:3.500A) Processing helix chain 'AO' and resid 65 through 78 Processing helix chain 'AO' and resid 83 through 92 removed outlier: 3.594A pdb=" N GLNAO 89 " --> pdb=" O GLYAO 85 " (cutoff:3.500A) Processing helix chain 'AO' and resid 162 through 180 removed outlier: 4.023A pdb=" N ILEAO 170 " --> pdb=" O ILEAO 166 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLNAO 173 " --> pdb=" O THRAO 169 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VALAO 176 " --> pdb=" O ALAAO 172 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N VALAO 178 " --> pdb=" O ILEAO 174 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ALAAO 179 " --> pdb=" O TRPAO 175 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYSAO 180 " --> pdb=" O VALAO 176 " (cutoff:3.500A) Processing helix chain 'AO' and resid 192 through 198 removed outlier: 3.680A pdb=" N LYSAO 198 " --> pdb=" O ARGAO 194 " (cutoff:3.500A) Processing helix chain 'AO' and resid 212 through 226 removed outlier: 3.603A pdb=" N VALAO 219 " --> pdb=" O TRPAO 215 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ARGAO 222 " --> pdb=" O VALAO 218 " (cutoff:3.500A) Processing helix chain 'AO' and resid 227 through 242 removed outlier: 3.544A pdb=" N METAO 233 " --> pdb=" O LEUAO 229 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ARGAO 242 " --> pdb=" O LEUAO 238 " (cutoff:3.500A) Processing helix chain 'AO' and resid 248 through 259 removed outlier: 3.571A pdb=" N METAO 253 " --> pdb=" O ARGAO 249 " (cutoff:3.500A) Processing helix chain 'AO' and resid 266 through 277 removed outlier: 3.641A pdb=" N LEUAO 271 " --> pdb=" O ALAAO 267 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N THRAO 272 " --> pdb=" O SERAO 268 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ILEAO 273 " --> pdb=" O PHEAO 269 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYSAO 274 " --> pdb=" O ILEAO 270 " (cutoff:3.500A) Processing helix chain 'AO' and resid 286 through 307 removed outlier: 4.465A pdb=" N GLYAO 291 " --> pdb=" O HISAO 287 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLUAO 292 " --> pdb=" O GLUAO 288 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SERAO 294 " --> pdb=" O ASPAO 290 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THRAO 295 " --> pdb=" O GLYAO 291 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLUAO 297 " --> pdb=" O LEUAO 293 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N SERAO 298 " --> pdb=" O SERAO 294 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEUAO 302 " --> pdb=" O SERAO 298 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYRAO 303 " --> pdb=" O LEUAO 299 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLNAO 304 " --> pdb=" O METAO 300 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N METAO 306 " --> pdb=" O LEUAO 302 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLYAO 307 " --> pdb=" O TYRAO 303 " (cutoff:3.500A) Processing helix chain 'AO' and resid 317 through 321 removed outlier: 4.285A pdb=" N ILEAO 320 " --> pdb=" O GLUAO 317 " (cutoff:3.500A) Processing helix chain 'AO' and resid 329 through 340 Processing helix chain 'AO' and resid 358 through 373 removed outlier: 3.880A pdb=" N LEUAO 364 " --> pdb=" O ALAAO 360 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N GLNAO 366 " --> pdb=" O PHEAO 362 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VALAO 369 " --> pdb=" O GLYAO 365 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARGAO 370 " --> pdb=" O GLNAO 366 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALAAO 373 " --> pdb=" O VALAO 369 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'B' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL B 37 " --> pdb=" O ARG B 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU B 102 " --> pdb=" O VAL B 37 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL A 37 " --> pdb=" O ARG A 100 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N LEU A 102 " --> pdb=" O VAL A 37 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'D' and resid 36 through 40 removed outlier: 4.326A pdb=" N VAL D 37 " --> pdb=" O ARG D 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU D 102 " --> pdb=" O VAL D 37 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'F' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL F 37 " --> pdb=" O ARG F 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU F 102 " --> pdb=" O VAL F 37 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'H' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL H 37 " --> pdb=" O ARG H 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU H 102 " --> pdb=" O VAL H 37 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'J' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL J 37 " --> pdb=" O ARG J 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU J 102 " --> pdb=" O VAL J 37 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'L' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL L 37 " --> pdb=" O ARG L 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU L 102 " --> pdb=" O VAL L 37 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'N' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL N 37 " --> pdb=" O ARG N 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU N 102 " --> pdb=" O VAL N 37 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'P' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL P 37 " --> pdb=" O ARG P 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU P 102 " --> pdb=" O VAL P 37 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'S' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL S 37 " --> pdb=" O ARG S 100 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N LEU S 102 " --> pdb=" O VAL S 37 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'U' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL U 37 " --> pdb=" O ARG U 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU U 102 " --> pdb=" O VAL U 37 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'W' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL W 37 " --> pdb=" O ARG W 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU W 102 " --> pdb=" O VAL W 37 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'Y' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL Y 37 " --> pdb=" O ARG Y 100 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N LEU Y 102 " --> pdb=" O VAL Y 37 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain '0' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL 0 37 " --> pdb=" O ARG 0 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU 0 102 " --> pdb=" O VAL 0 37 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain '2' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL 2 37 " --> pdb=" O ARG 2 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU 2 102 " --> pdb=" O VAL 2 37 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain '4' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL 4 37 " --> pdb=" O ARG 4 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU 4 102 " --> pdb=" O VAL 4 37 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain '6' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL 6 37 " --> pdb=" O ARG 6 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU 6 102 " --> pdb=" O VAL 6 37 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain '8' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL 8 37 " --> pdb=" O ARG 8 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU 8 102 " --> pdb=" O VAL 8 37 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'a' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL a 37 " --> pdb=" O ARG a 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU a 102 " --> pdb=" O VAL a 37 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'c' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL c 37 " --> pdb=" O ARG c 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU c 102 " --> pdb=" O VAL c 37 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'e' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL e 37 " --> pdb=" O ARG e 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU e 102 " --> pdb=" O VAL e 37 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'g' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL g 37 " --> pdb=" O ARG g 100 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N LEU g 102 " --> pdb=" O VAL g 37 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'i' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL i 37 " --> pdb=" O ARG i 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU i 102 " --> pdb=" O VAL i 37 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'k' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL k 37 " --> pdb=" O ARG k 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU k 102 " --> pdb=" O VAL k 37 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'm' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL m 37 " --> pdb=" O ARG m 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU m 102 " --> pdb=" O VAL m 37 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'o' and resid 36 through 40 removed outlier: 4.326A pdb=" N VAL o 37 " --> pdb=" O ARG o 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU o 102 " --> pdb=" O VAL o 37 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'q' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL q 37 " --> pdb=" O ARG q 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU q 102 " --> pdb=" O VAL q 37 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 's' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL s 37 " --> pdb=" O ARG s 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU s 102 " --> pdb=" O VAL s 37 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'u' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL u 37 " --> pdb=" O ARG u 100 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N LEU u 102 " --> pdb=" O VAL u 37 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'w' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL w 37 " --> pdb=" O ARG w 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU w 102 " --> pdb=" O VAL w 37 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'y' and resid 36 through 40 removed outlier: 4.325A pdb=" N VAL y 37 " --> pdb=" O ARG y 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU y 102 " --> pdb=" O VAL y 37 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'AA' and resid 36 through 40 removed outlier: 4.325A pdb=" N VALAA 37 " --> pdb=" O ARGAA 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEUAA 102 " --> pdb=" O VALAA 37 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'AC' and resid 36 through 40 removed outlier: 4.325A pdb=" N VALAC 37 " --> pdb=" O ARGAC 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEUAC 102 " --> pdb=" O VALAC 37 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'AE' and resid 36 through 40 removed outlier: 4.325A pdb=" N VALAE 37 " --> pdb=" O ARGAE 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEUAE 102 " --> pdb=" O VALAE 37 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'AG' and resid 36 through 40 removed outlier: 4.325A pdb=" N VALAG 37 " --> pdb=" O ARGAG 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEUAG 102 " --> pdb=" O VALAG 37 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'AI' and resid 36 through 40 removed outlier: 4.325A pdb=" N VALAI 37 " --> pdb=" O ARGAI 100 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N LEUAI 102 " --> pdb=" O VALAI 37 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'AK' and resid 36 through 40 removed outlier: 4.325A pdb=" N VALAK 37 " --> pdb=" O ARGAK 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEUAK 102 " --> pdb=" O VALAK 37 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'AM' and resid 36 through 40 removed outlier: 4.325A pdb=" N VALAM 37 " --> pdb=" O ARGAM 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEUAM 102 " --> pdb=" O VALAM 37 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'AO' and resid 36 through 40 removed outlier: 4.325A pdb=" N VALAO 37 " --> pdb=" O ARGAO 100 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEUAO 102 " --> pdb=" O VALAO 37 " (cutoff:3.500A) 3783 hydrogen bonds defined for protein. 11115 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 117 stacking parallelities Total time for adding SS restraints: 34.43 Time building geometry restraints manager: 39.72 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.23 - 1.34: 38534 1.34 - 1.46: 22925 1.46 - 1.58: 59519 1.58 - 1.69: 429 1.69 - 1.81: 897 Bond restraints: 122304 Sorted by residual: bond pdb=" CA PRO A 18 " pdb=" C PRO A 18 " ideal model delta sigma weight residual 1.514 1.534 -0.020 5.50e-03 3.31e+04 1.26e+01 bond pdb=" CA PRO g 18 " pdb=" C PRO g 18 " ideal model delta sigma weight residual 1.514 1.534 -0.020 5.50e-03 3.31e+04 1.26e+01 bond pdb=" CA PRO 6 18 " pdb=" C PRO 6 18 " ideal model delta sigma weight residual 1.514 1.534 -0.019 5.50e-03 3.31e+04 1.26e+01 bond pdb=" CA PRO q 18 " pdb=" C PRO q 18 " ideal model delta sigma weight residual 1.514 1.534 -0.019 5.50e-03 3.31e+04 1.26e+01 bond pdb=" CA PRO o 18 " pdb=" C PRO o 18 " ideal model delta sigma weight residual 1.514 1.534 -0.019 5.50e-03 3.31e+04 1.26e+01 ... (remaining 122299 not shown) Histogram of bond angle deviations from ideal: 100.93 - 107.55: 4835 107.55 - 114.17: 69064 114.17 - 120.79: 49881 120.79 - 127.41: 41307 127.41 - 134.03: 1170 Bond angle restraints: 166257 Sorted by residual: angle pdb=" C LYS s 17 " pdb=" N PRO s 18 " pdb=" CA PRO s 18 " ideal model delta sigma weight residual 119.66 116.09 3.57 7.30e-01 1.88e+00 2.39e+01 angle pdb=" C LYSAO 17 " pdb=" N PROAO 18 " pdb=" CA PROAO 18 " ideal model delta sigma weight residual 119.66 116.09 3.57 7.30e-01 1.88e+00 2.39e+01 angle pdb=" C LYS e 17 " pdb=" N PRO e 18 " pdb=" CA PRO e 18 " ideal model delta sigma weight residual 119.66 116.10 3.56 7.30e-01 1.88e+00 2.38e+01 angle pdb=" C LYS k 17 " pdb=" N PRO k 18 " pdb=" CA PRO k 18 " ideal model delta sigma weight residual 119.66 116.10 3.56 7.30e-01 1.88e+00 2.38e+01 angle pdb=" C LYS D 17 " pdb=" N PRO D 18 " pdb=" CA PRO D 18 " ideal model delta sigma weight residual 119.66 116.10 3.56 7.30e-01 1.88e+00 2.37e+01 ... (remaining 166252 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 12.64: 66584 12.64 - 25.29: 4824 25.29 - 37.93: 1366 37.93 - 50.57: 546 50.57 - 63.22: 351 Dihedral angle restraints: 73671 sinusoidal: 31629 harmonic: 42042 Sorted by residual: dihedral pdb=" CA ASPAA 42 " pdb=" CB ASPAA 42 " pdb=" CG ASPAA 42 " pdb=" OD1 ASPAA 42 " ideal model delta sinusoidal sigma weight residual -30.00 -86.66 56.66 1 2.00e+01 2.50e-03 1.08e+01 dihedral pdb=" CA ASPAC 42 " pdb=" CB ASPAC 42 " pdb=" CG ASPAC 42 " pdb=" OD1 ASPAC 42 " ideal model delta sinusoidal sigma weight residual -30.00 -86.65 56.65 1 2.00e+01 2.50e-03 1.08e+01 dihedral pdb=" CA ASP 2 42 " pdb=" CB ASP 2 42 " pdb=" CG ASP 2 42 " pdb=" OD1 ASP 2 42 " ideal model delta sinusoidal sigma weight residual -30.00 -86.65 56.65 1 2.00e+01 2.50e-03 1.08e+01 ... (remaining 73668 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.039: 13597 0.039 - 0.077: 3557 0.077 - 0.116: 1269 0.116 - 0.154: 515 0.154 - 0.193: 289 Chirality restraints: 19227 Sorted by residual: chirality pdb=" CA ILE 4 39 " pdb=" N ILE 4 39 " pdb=" C ILE 4 39 " pdb=" CB ILE 4 39 " both_signs ideal model delta sigma weight residual False 2.43 2.63 -0.19 2.00e-01 2.50e+01 9.32e-01 chirality pdb=" CA ILEAM 39 " pdb=" N ILEAM 39 " pdb=" C ILEAM 39 " pdb=" CB ILEAM 39 " both_signs ideal model delta sigma weight residual False 2.43 2.63 -0.19 2.00e-01 2.50e+01 9.30e-01 chirality pdb=" CA ILE W 39 " pdb=" N ILE W 39 " pdb=" C ILE W 39 " pdb=" CB ILE W 39 " both_signs ideal model delta sigma weight residual False 2.43 2.63 -0.19 2.00e-01 2.50e+01 9.24e-01 ... (remaining 19224 not shown) Planarity restraints: 20631 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C ASN N 61 " -0.021 5.00e-02 4.00e+02 3.19e-02 1.62e+00 pdb=" N PRO N 62 " 0.055 5.00e-02 4.00e+02 pdb=" CA PRO N 62 " -0.016 5.00e-02 4.00e+02 pdb=" CD PRO N 62 " -0.018 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ASN e 61 " -0.021 5.00e-02 4.00e+02 3.19e-02 1.62e+00 pdb=" N PRO e 62 " 0.055 5.00e-02 4.00e+02 pdb=" CA PRO e 62 " -0.016 5.00e-02 4.00e+02 pdb=" CD PRO e 62 " -0.018 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ASN 2 61 " -0.021 5.00e-02 4.00e+02 3.18e-02 1.62e+00 pdb=" N PRO 2 62 " 0.055 5.00e-02 4.00e+02 pdb=" CA PRO 2 62 " -0.016 5.00e-02 4.00e+02 pdb=" CD PRO 2 62 " -0.018 5.00e-02 4.00e+02 ... (remaining 20628 not shown) Histogram of nonbonded interaction distances: 1.17 - 1.92: 201 1.92 - 2.66: 2085 2.66 - 3.41: 168637 3.41 - 4.15: 255183 4.15 - 4.90: 458116 Nonbonded interactions: 884222 Sorted by model distance: nonbonded pdb=" NH2 ARG N 242 " pdb=" NH2 ARG c 370 " model vdw 1.169 3.200 nonbonded pdb=" NH2 ARG 4 242 " pdb=" NH2 ARG q 370 " model vdw 1.169 3.200 nonbonded pdb=" NH2 ARG i 242 " pdb=" NH2 ARGAG 370 " model vdw 1.169 3.200 nonbonded pdb=" NH2 ARG a 242 " pdb=" NH2 ARG w 370 " model vdw 1.169 3.200 nonbonded pdb=" NH2 ARG F 242 " pdb=" NH2 ARG 4 370 " model vdw 1.169 3.200 ... (remaining 884217 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' selection = chain '2' selection = chain '4' selection = chain '6' selection = chain '8' selection = chain 'A' selection = chain 'AA' selection = chain 'AC' selection = chain 'AE' selection = chain 'AG' selection = chain 'AI' selection = chain 'AK' selection = chain 'AM' selection = chain 'AO' selection = chain 'B' selection = chain 'D' selection = chain 'F' selection = chain 'H' selection = chain 'J' selection = chain 'L' selection = chain 'N' selection = chain 'P' selection = chain 'S' selection = chain 'U' selection = chain 'W' selection = chain 'Y' selection = chain 'a' selection = chain 'c' selection = chain 'e' selection = chain 'g' selection = chain 'i' selection = chain 'k' selection = chain 'm' selection = chain 'o' selection = chain 'q' selection = chain 's' selection = chain 'u' selection = chain 'w' selection = chain 'y' } ncs_group { reference = chain '1' selection = chain '3' selection = chain '5' selection = chain '7' selection = chain '9' selection = chain 'AB' selection = chain 'AD' selection = chain 'AF' selection = chain 'AH' selection = chain 'AJ' selection = chain 'AL' selection = chain 'AN' selection = chain 'AP' selection = chain 'C' selection = chain 'E' selection = chain 'G' selection = chain 'I' selection = chain 'K' selection = chain 'M' selection = chain 'O' selection = chain 'Q' selection = chain 'R' selection = chain 'T' selection = chain 'V' selection = chain 'X' selection = chain 'Z' selection = chain 'b' selection = chain 'd' selection = chain 'f' selection = chain 'h' selection = chain 'j' selection = chain 'l' selection = chain 'n' selection = chain 'p' selection = chain 'r' selection = chain 't' selection = chain 'v' selection = chain 'x' selection = chain 'z' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as 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: 0.680 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: 0.070 Extract box with map and model: 11.380 Check model and map are aligned: 1.290 Set scattering table: 0.810 Process input model: 225.880 Find NCS groups from input model: 6.690 Set up NCS constraints: 1.730 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.470 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 251.030 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6933 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.041 122304 Z= 0.335 Angle : 0.958 7.266 166257 Z= 0.611 Chirality : 0.048 0.193 19227 Planarity : 0.003 0.032 20631 Dihedral : 11.257 63.217 46605 Min Nonbonded Distance : 1.169 Molprobity Statistics. All-atom Clashscore : 8.53 Ramachandran Plot: Outliers : 2.96 % Allowed : 13.18 % Favored : 83.86 % Rotamer Outliers : 0.31 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.56 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.63 (0.05), residues: 14469 helix: -2.50 (0.05), residues: 6162 sheet: -2.47 (0.16), residues: 780 loop : -3.75 (0.06), residues: 7527 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4282 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 39 poor density : 4243 time to evaluate : 10.227 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 outliers start: 39 outliers final: 0 residues processed: 4275 average time/residue: 1.0245 time to fit residues: 7537.5050 Evaluate side-chains 2432 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2432 time to evaluate : 10.054 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 13.8923 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1443 random chunks: chunk 1218 optimal weight: 20.0000 chunk 1093 optimal weight: 9.9990 chunk 606 optimal weight: 0.9990 chunk 373 optimal weight: 30.0000 chunk 737 optimal weight: 20.0000 chunk 584 optimal weight: 8.9990 chunk 1131 optimal weight: 1.9990 chunk 437 optimal weight: 6.9990 chunk 687 optimal weight: 0.9990 chunk 841 optimal weight: 8.9990 chunk 1310 optimal weight: 8.9990 overall best weight: 3.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 321 GLN D 246 ASN F 246 ASN F 318 ASN ** F 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 202 GLN H 246 ASN H 318 ASN L 33 HIS L 246 ASN L 318 ASN N 33 HIS N 202 GLN P 318 ASN S 202 GLN S 246 ASN ** S 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 321 GLN U 149 ASN ** U 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 246 ASN W 304 GLN W 318 ASN ** W 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 202 GLN Y 246 ASN ** Y 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 246 ASN 2 246 ASN ** 2 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 202 GLN 6 246 ASN 6 321 GLN 8 202 GLN 8 246 ASN a 246 ASN a 304 GLN c 246 ASN c 304 GLN c 321 GLN B 202 GLN e 246 ASN e 304 GLN ** e 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 202 GLN g 246 ASN i 246 ASN k 33 HIS k 246 ASN k 304 GLN k 321 GLN o 246 ASN q 202 GLN q 246 ASN q 304 GLN ** q 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 321 GLN ** u 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 202 GLN y 321 GLN AA 246 ASN AC 149 ASN AC 246 ASN ** AC 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 33 HIS ** AE 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AK 246 ASN AM 202 GLN AM 304 GLN ** AM 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 202 GLN Total number of N/Q/H flips: 59 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7213 moved from start: 0.3412 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.054 122304 Z= 0.237 Angle : 0.690 8.199 166257 Z= 0.346 Chirality : 0.044 0.190 19227 Planarity : 0.005 0.047 20631 Dihedral : 7.066 58.755 18720 Min Nonbonded Distance : 2.099 Molprobity Statistics. All-atom Clashscore : 8.16 Ramachandran Plot: Outliers : 1.35 % Allowed : 6.90 % Favored : 91.75 % Rotamer Outliers : 0.17 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.56 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.47 (0.06), residues: 14469 helix: -0.95 (0.06), residues: 6942 sheet: -2.31 (0.16), residues: 780 loop : -3.91 (0.06), residues: 6747 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3516 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 21 poor density : 3495 time to evaluate : 9.981 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 outliers start: 21 outliers final: 7 residues processed: 3505 average time/residue: 0.9561 time to fit residues: 5928.2222 Evaluate side-chains 2507 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 7 poor density : 2500 time to evaluate : 9.731 Switching outliers to nearest non-outliers outliers start: 7 outliers final: 0 residues processed: 7 average time/residue: 0.8067 time to fit residues: 24.5611 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1443 random chunks: chunk 728 optimal weight: 10.0000 chunk 406 optimal weight: 1.9990 chunk 1090 optimal weight: 20.0000 chunk 892 optimal weight: 20.0000 chunk 361 optimal weight: 20.0000 chunk 1312 optimal weight: 6.9990 chunk 1418 optimal weight: 30.0000 chunk 1169 optimal weight: 6.9990 chunk 1301 optimal weight: 20.0000 chunk 447 optimal weight: 6.9990 chunk 1053 optimal weight: 0.8980 overall best weight: 4.7788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 246 ASN ** D 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 246 ASN F 318 ASN H 246 ASN H 304 GLN H 322 ASN J 304 GLN ** J 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 33 HIS L 246 ASN L 318 ASN ** N 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 246 ASN ** N 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 246 ASN P 304 GLN ** P 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 246 ASN S 304 GLN ** S 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 322 ASN U 246 ASN U 322 ASN W 246 ASN W 304 GLN ** W 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 322 ASN Y 246 ASN ** Y 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 202 GLN 0 246 ASN 2 246 ASN ** 2 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 322 ASN 4 246 ASN 4 304 GLN ** 4 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 246 ASN 6 304 GLN ** 6 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 246 ASN 8 304 GLN c 202 GLN c 322 ASN B 246 ASN B 322 ASN e 202 GLN e 246 ASN e 304 GLN e 322 ASN ** g 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 246 ASN g 322 ASN i 246 ASN i 322 ASN k 246 ASN k 304 GLN k 321 GLN k 322 ASN ** m 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 246 ASN m 304 GLN ** m 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 246 ASN o 304 GLN q 246 ASN s 246 ASN s 321 GLN u 246 ASN ** u 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 246 ASN w 321 GLN ** y 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 321 GLN AA 202 GLN AA 246 ASN AC 246 ASN AC 304 GLN ** AC 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 246 ASN ** AG 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 246 ASN ** AG 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 322 ASN AI 304 GLN ** AI 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AK 89 GLN ** AK 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AM 322 ASN AO 246 ASN AO 304 GLN Total number of N/Q/H flips: 71 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7354 moved from start: 0.4157 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.089 122304 Z= 0.226 Angle : 0.622 10.168 166257 Z= 0.313 Chirality : 0.042 0.212 19227 Planarity : 0.005 0.042 20631 Dihedral : 6.878 58.319 18720 Min Nonbonded Distance : 2.116 Molprobity Statistics. All-atom Clashscore : 9.31 Ramachandran Plot: Outliers : 1.08 % Allowed : 9.09 % Favored : 89.83 % Rotamer Outliers : 0.10 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.56 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.15 (0.06), residues: 14469 helix: -0.63 (0.06), residues: 6942 sheet: -2.39 (0.16), residues: 780 loop : -3.79 (0.06), residues: 6747 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3129 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 12 poor density : 3117 time to evaluate : 9.169 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 outliers start: 12 outliers final: 1 residues processed: 3118 average time/residue: 0.9685 time to fit residues: 5405.9911 Evaluate side-chains 2359 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 2358 time to evaluate : 10.111 Switching outliers to nearest non-outliers outliers start: 1 outliers final: 0 residues processed: 1 average time/residue: 0.9268 time to fit residues: 15.4843 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1443 random chunks: chunk 1297 optimal weight: 0.0870 chunk 986 optimal weight: 5.9990 chunk 681 optimal weight: 9.9990 chunk 145 optimal weight: 7.9990 chunk 626 optimal weight: 10.0000 chunk 881 optimal weight: 20.0000 chunk 1317 optimal weight: 3.9990 chunk 1394 optimal weight: 20.0000 chunk 688 optimal weight: 8.9990 chunk 1248 optimal weight: 10.0000 chunk 375 optimal weight: 5.9990 overall best weight: 4.8166 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 322 ASN D 246 ASN ** D 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 322 ASN F 322 ASN J 246 ASN J 318 ASN J 322 ASN L 33 HIS L 202 GLN ** L 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 322 ASN N 89 GLN N 202 GLN N 246 ASN ** N 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 322 ASN ** P 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 246 ASN P 304 GLN ** P 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 322 ASN S 304 GLN ** S 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 173 GLN W 246 ASN ** W 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 246 ASN Y 304 GLN ** Y 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 322 ASN 0 246 ASN 0 322 ASN 2 246 ASN ** 2 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 246 ASN ** 4 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 322 ASN 6 246 ASN 6 304 GLN 6 322 ASN 8 246 ASN 8 304 GLN 8 322 ASN a 304 GLN ** a 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 322 ASN c 202 GLN B 202 GLN ** B 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 246 ASN ** g 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 246 ASN i 246 ASN i 321 GLN k 202 GLN k 304 GLN ** m 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 246 ASN ** m 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 322 ASN o 246 ASN o 322 ASN q 246 ASN q 322 ASN s 202 GLN s 246 ASN ** s 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 322 ASN u 246 ASN ** u 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 322 ASN w 202 GLN w 246 ASN w 304 GLN w 322 ASN y 246 ASN y 304 GLN ** y 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 321 GLN y 322 ASN AA 322 ASN AC 246 ASN AC 304 GLN AC 322 ASN AE 246 ASN AE 322 ASN AG 246 ASN AG 304 GLN AI 304 GLN AI 322 ASN AK 164 ASN AK 304 GLN AK 322 ASN AM 202 GLN ** AM 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 246 ASN Total number of N/Q/H flips: 78 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7445 moved from start: 0.4755 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.091 122304 Z= 0.218 Angle : 0.620 8.337 166257 Z= 0.313 Chirality : 0.042 0.214 19227 Planarity : 0.005 0.050 20631 Dihedral : 7.040 59.857 18720 Min Nonbonded Distance : 2.082 Molprobity Statistics. All-atom Clashscore : 9.62 Ramachandran Plot: Outliers : 1.08 % Allowed : 7.85 % Favored : 91.07 % Rotamer Outliers : 0.10 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.56 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.00 (0.06), residues: 14469 helix: -0.48 (0.06), residues: 7059 sheet: -2.28 (0.16), residues: 780 loop : -3.80 (0.06), residues: 6630 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2818 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 13 poor density : 2805 time to evaluate : 10.198 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 13 outliers final: 2 residues processed: 2807 average time/residue: 0.9712 time to fit residues: 4877.8287 Evaluate side-chains 2199 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 2197 time to evaluate : 10.124 Switching outliers to nearest non-outliers outliers start: 2 outliers final: 0 residues processed: 2 average time/residue: 0.9433 time to fit residues: 17.2274 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1443 random chunks: chunk 1161 optimal weight: 0.9980 chunk 791 optimal weight: 30.0000 chunk 20 optimal weight: 20.0000 chunk 1038 optimal weight: 40.0000 chunk 575 optimal weight: 2.9990 chunk 1190 optimal weight: 5.9990 chunk 964 optimal weight: 0.9980 chunk 1 optimal weight: 1.9990 chunk 712 optimal weight: 8.9990 chunk 1251 optimal weight: 9.9990 chunk 351 optimal weight: 6.9990 overall best weight: 2.5986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 33 HIS D 246 ASN ** D 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 246 ASN J 304 GLN ** J 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 33 HIS L 246 ASN ** L 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 246 ASN P 304 GLN ** P 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 202 GLN S 246 ASN S 304 GLN ** S 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 246 ASN W 246 ASN ** W 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 246 ASN ** Y 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 202 GLN 0 246 ASN 2 246 ASN 4 246 ASN 4 304 GLN ** 4 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 246 ASN ** 6 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 304 GLN ** a 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 246 ASN e 304 GLN e 366 GLN g 202 GLN g 246 ASN g 304 GLN i 33 HIS i 246 ASN m 202 GLN m 246 ASN o 246 ASN q 202 GLN q 246 ASN s 246 ASN ** s 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 246 ASN w 246 ASN ** w 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 304 GLN ** y 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 321 GLN AA 202 GLN AC 246 ASN AE 246 ASN AE 366 GLN AG 246 ASN AI 89 GLN AI 246 ASN AI 366 GLN AK 164 ASN AK 202 GLN AK 304 GLN ** AM 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 202 GLN AO 246 ASN Total number of N/Q/H flips: 52 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7428 moved from start: 0.5019 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.055 122304 Z= 0.168 Angle : 0.598 8.962 166257 Z= 0.299 Chirality : 0.041 0.195 19227 Planarity : 0.005 0.047 20631 Dihedral : 7.015 59.917 18720 Min Nonbonded Distance : 2.138 Molprobity Statistics. All-atom Clashscore : 10.18 Ramachandran Plot: Outliers : 1.06 % Allowed : 7.74 % Favored : 91.19 % Rotamer Outliers : 0.06 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.56 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.90 (0.06), residues: 14469 helix: -0.38 (0.06), residues: 7137 sheet: -2.24 (0.17), residues: 780 loop : -3.81 (0.06), residues: 6552 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2845 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 7 poor density : 2838 time to evaluate : 10.107 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 outliers start: 7 outliers final: 2 residues processed: 2839 average time/residue: 0.9767 time to fit residues: 4949.4393 Evaluate side-chains 2263 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 2261 time to evaluate : 10.083 Switching outliers to nearest non-outliers outliers start: 2 outliers final: 0 residues processed: 2 average time/residue: 0.9167 time to fit residues: 17.0022 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1443 random chunks: chunk 469 optimal weight: 0.9990 chunk 1256 optimal weight: 10.0000 chunk 275 optimal weight: 9.9990 chunk 818 optimal weight: 20.0000 chunk 344 optimal weight: 20.0000 chunk 1396 optimal weight: 5.9990 chunk 1158 optimal weight: 30.0000 chunk 646 optimal weight: 40.0000 chunk 116 optimal weight: 2.9990 chunk 461 optimal weight: 9.9990 chunk 732 optimal weight: 2.9990 overall best weight: 4.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 89 GLN D 246 ASN ** D 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 246 ASN ** J 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 33 HIS L 246 ASN ** L 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 246 ASN P 304 GLN ** P 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 304 GLN ** S 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 246 ASN W 246 ASN ** W 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 246 ASN 0 33 HIS 0 246 ASN 2 246 ASN ** 2 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 246 ASN 4 304 GLN ** 4 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 246 ASN ** 6 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 246 ASN ** a 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 202 GLN c 366 GLN ** B 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 246 ASN i 33 HIS ** i 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 246 ASN ** k 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 304 GLN k 366 GLN ** m 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 246 ASN o 246 ASN ** o 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 246 ASN s 246 ASN ** s 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 89 GLN w 246 ASN y 246 ASN ** y 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 246 ASN AE 246 ASN ** AE 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 246 ASN AI 89 GLN ** AI 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 246 ASN AI 304 GLN AI 366 GLN AK 164 ASN ** AK 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 246 ASN AO 304 GLN Total number of N/Q/H flips: 42 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7500 moved from start: 0.5324 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.073 122304 Z= 0.217 Angle : 0.617 9.743 166257 Z= 0.311 Chirality : 0.042 0.265 19227 Planarity : 0.005 0.059 20631 Dihedral : 7.099 63.264 18720 Min Nonbonded Distance : 2.115 Molprobity Statistics. All-atom Clashscore : 10.85 Ramachandran Plot: Outliers : 1.04 % Allowed : 8.13 % Favored : 90.82 % Rotamer Outliers : 0.03 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.56 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.86 (0.06), residues: 14469 helix: -0.41 (0.06), residues: 7371 sheet: -2.23 (0.17), residues: 780 loop : -3.83 (0.06), residues: 6318 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2694 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 2690 time to evaluate : 9.243 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 outliers start: 4 outliers final: 0 residues processed: 2692 average time/residue: 0.9557 time to fit residues: 4581.8796 Evaluate side-chains 2164 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2164 time to evaluate : 10.149 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 13.6612 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1443 random chunks: chunk 1346 optimal weight: 30.0000 chunk 157 optimal weight: 20.0000 chunk 795 optimal weight: 20.0000 chunk 1019 optimal weight: 5.9990 chunk 789 optimal weight: 30.0000 chunk 1175 optimal weight: 9.9990 chunk 779 optimal weight: 0.0670 chunk 1390 optimal weight: 3.9990 chunk 870 optimal weight: 10.0000 chunk 847 optimal weight: 20.0000 chunk 642 optimal weight: 5.9990 overall best weight: 5.2126 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 149 ASN D 246 ASN ** D 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 202 GLN J 246 ASN J 304 GLN ** J 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 33 HIS L 246 ASN ** L 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 304 GLN ** P 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 246 ASN S 304 GLN ** S 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 304 GLN W 246 ASN ** W 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 246 ASN 0 246 ASN 2 246 ASN 4 246 ASN ** 6 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 246 ASN 8 304 GLN ** a 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 304 GLN c 366 GLN B 304 GLN e 246 ASN e 304 GLN e 305 GLN g 202 GLN i 33 HIS ** i 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 246 ASN k 202 GLN k 321 GLN ** m 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 246 ASN o 246 ASN ** o 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 33 HIS q 89 GLN q 246 ASN s 246 ASN ** s 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 246 ASN w 106 GLN w 246 ASN w 304 GLN ** w 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 246 ASN ** y 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 89 GLN AC 246 ASN AE 149 ASN AE 202 GLN AE 246 ASN AG 246 ASN AI 246 ASN ** AI 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AK 304 GLN AM 321 GLN AO 202 GLN AO 246 ASN AO 304 GLN Total number of N/Q/H flips: 52 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7554 moved from start: 0.5669 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.061 122304 Z= 0.223 Angle : 0.642 12.925 166257 Z= 0.321 Chirality : 0.043 0.200 19227 Planarity : 0.005 0.086 20631 Dihedral : 7.264 67.119 18720 Min Nonbonded Distance : 2.107 Molprobity Statistics. All-atom Clashscore : 10.93 Ramachandran Plot: Outliers : 1.04 % Allowed : 8.83 % Favored : 90.14 % Rotamer Outliers : 0.06 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.56 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.76 (0.06), residues: 14469 helix: -0.20 (0.06), residues: 7059 sheet: -2.24 (0.17), residues: 780 loop : -3.78 (0.06), residues: 6630 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2622 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 8 poor density : 2614 time to evaluate : 10.256 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 outliers start: 8 outliers final: 3 residues processed: 2617 average time/residue: 0.9843 time to fit residues: 4571.9251 Evaluate side-chains 2117 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 2114 time to evaluate : 10.158 Switching outliers to nearest non-outliers outliers start: 3 outliers final: 0 residues processed: 3 average time/residue: 0.9424 time to fit residues: 18.9257 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1443 random chunks: chunk 860 optimal weight: 0.0770 chunk 555 optimal weight: 30.0000 chunk 830 optimal weight: 10.0000 chunk 418 optimal weight: 20.0000 chunk 273 optimal weight: 0.0060 chunk 269 optimal weight: 9.9990 chunk 884 optimal weight: 20.0000 chunk 947 optimal weight: 0.0270 chunk 687 optimal weight: 3.9990 chunk 129 optimal weight: 7.9990 chunk 1093 optimal weight: 10.0000 overall best weight: 2.4216 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 89 GLN D 246 ASN ** D 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 202 GLN J 246 ASN J 318 ASN L 33 HIS L 246 ASN ** N 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 246 ASN ** P 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 246 ASN S 304 GLN ** S 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 304 GLN ** W 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 33 HIS 0 246 ASN 2 246 ASN 2 304 GLN ** 4 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 246 ASN 4 304 GLN ** 6 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 246 ASN ** a 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 366 GLN B 304 GLN e 246 ASN e 321 GLN e 366 GLN g 246 ASN ** i 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 246 ASN ** k 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 89 GLN m 246 ASN ** m 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 106 GLN o 318 ASN q 202 GLN s 246 ASN ** s 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 89 GLN u 246 ASN w 246 ASN ** w 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 106 GLN y 246 ASN AA 89 GLN AA 106 GLN AC 202 GLN AC 246 ASN AC 366 GLN AE 246 ASN AE 318 ASN AG 246 ASN ** AG 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 246 ASN AI 304 GLN AI 366 GLN AK 202 GLN AO 246 ASN Total number of N/Q/H flips: 49 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7519 moved from start: 0.5783 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.054 122304 Z= 0.171 Angle : 0.619 11.438 166257 Z= 0.306 Chirality : 0.042 0.210 19227 Planarity : 0.005 0.050 20631 Dihedral : 7.239 67.779 18720 Min Nonbonded Distance : 2.100 Molprobity Statistics. All-atom Clashscore : 11.21 Ramachandran Plot: Outliers : 1.04 % Allowed : 7.91 % Favored : 91.05 % Rotamer Outliers : 0.06 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.56 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.65 (0.07), residues: 14469 helix: -0.12 (0.06), residues: 7098 sheet: -2.22 (0.17), residues: 780 loop : -3.71 (0.06), residues: 6591 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2621 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 7 poor density : 2614 time to evaluate : 10.142 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 outliers start: 7 outliers final: 0 residues processed: 2618 average time/residue: 0.9881 time to fit residues: 4595.8236 Evaluate side-chains 2139 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2139 time to evaluate : 9.089 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 12.9578 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1443 random chunks: chunk 1265 optimal weight: 7.9990 chunk 1332 optimal weight: 30.0000 chunk 1215 optimal weight: 0.9990 chunk 1296 optimal weight: 0.0010 chunk 780 optimal weight: 8.9990 chunk 564 optimal weight: 9.9990 chunk 1017 optimal weight: 7.9990 chunk 397 optimal weight: 4.9990 chunk 1171 optimal weight: 20.0000 chunk 1225 optimal weight: 0.0970 chunk 1291 optimal weight: 0.0670 overall best weight: 1.2326 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 89 GLN D 149 ASN ** D 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 202 GLN J 246 ASN J 304 GLN ** J 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 33 HIS L 246 ASN ** L 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 304 GLN S 304 GLN ** S 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 106 GLN ** U 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 246 ASN 2 106 GLN 2 246 ASN 2 304 GLN 4 246 ASN ** 4 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 106 GLN ** 8 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 366 GLN B 304 GLN e 106 GLN e 246 ASN e 304 GLN e 305 GLN ** i 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 246 ASN k 33 HIS k 366 GLN m 106 GLN ** m 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 89 GLN q 246 ASN s 246 ASN s 321 GLN u 89 GLN u 246 ASN u 321 GLN w 246 ASN w 304 GLN ** w 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 111 GLN y 304 GLN y 321 GLN AC 202 GLN AC 246 ASN AC 304 GLN AE 106 GLN AE 246 ASN AG 246 ASN ** AG 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 202 GLN AI 246 ASN AK 164 ASN AK 304 GLN AO 246 ASN AO 304 GLN Total number of N/Q/H flips: 50 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7479 moved from start: 0.5866 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.053 122304 Z= 0.157 Angle : 0.619 12.023 166257 Z= 0.305 Chirality : 0.041 0.199 19227 Planarity : 0.005 0.043 20631 Dihedral : 7.162 68.399 18720 Min Nonbonded Distance : 2.131 Molprobity Statistics. All-atom Clashscore : 11.01 Ramachandran Plot: Outliers : 1.03 % Allowed : 8.00 % Favored : 90.97 % Rotamer Outliers : 0.05 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.56 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.60 (0.07), residues: 14469 helix: -0.08 (0.06), residues: 7137 sheet: -2.16 (0.17), residues: 780 loop : -3.72 (0.06), residues: 6552 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2636 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 2630 time to evaluate : 10.097 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 outliers start: 6 outliers final: 1 residues processed: 2632 average time/residue: 1.0088 time to fit residues: 4629.3984 Evaluate side-chains 2170 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 2169 time to evaluate : 10.071 Switching outliers to nearest non-outliers outliers start: 1 outliers final: 0 residues processed: 1 average time/residue: 0.9825 time to fit residues: 15.4895 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1443 random chunks: chunk 851 optimal weight: 30.0000 chunk 1370 optimal weight: 0.0980 chunk 836 optimal weight: 9.9990 chunk 650 optimal weight: 20.0000 chunk 952 optimal weight: 5.9990 chunk 1437 optimal weight: 6.9990 chunk 1323 optimal weight: 8.9990 chunk 1144 optimal weight: 5.9990 chunk 118 optimal weight: 7.9990 chunk 884 optimal weight: 10.0000 chunk 701 optimal weight: 7.9990 overall best weight: 5.4188 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** D 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 106 GLN ** J 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 246 ASN ** J 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 33 HIS L 246 ASN ** L 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 106 GLN ** P 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 106 GLN S 246 ASN S 304 GLN ** S 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 304 GLN Y 304 GLN 0 33 HIS 2 246 ASN 2 304 GLN 4 106 GLN 4 246 ASN 4 304 GLN ** 4 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 304 GLN ** 6 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 246 ASN 8 304 GLN a 89 GLN a 106 GLN a 111 GLN c 106 GLN c 366 GLN B 61 ASN B 89 GLN g 106 GLN g 246 ASN i 202 GLN i 246 ASN k 106 GLN m 89 GLN ** m 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 89 GLN q 106 GLN s 106 GLN s 246 ASN u 89 GLN u 106 GLN u 246 ASN w 246 ASN y 111 GLN y 246 ASN ** y 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 106 GLN AC 202 GLN AC 246 ASN AE 89 GLN AG 246 ASN AI 106 GLN AI 246 ASN AI 304 GLN AK 164 ASN AO 106 GLN Total number of N/Q/H flips: 52 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7588 moved from start: 0.6128 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.072 122304 Z= 0.239 Angle : 0.674 14.625 166257 Z= 0.336 Chirality : 0.044 0.195 19227 Planarity : 0.005 0.095 20631 Dihedral : 7.320 70.854 18720 Min Nonbonded Distance : 2.076 Molprobity Statistics. All-atom Clashscore : 11.37 Ramachandran Plot: Outliers : 1.04 % Allowed : 8.19 % Favored : 90.77 % Rotamer Outliers : 0.05 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.56 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.59 (0.07), residues: 14469 helix: -0.14 (0.06), residues: 7137 sheet: None (None), residues: 0 loop : -3.55 (0.06), residues: 7332 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28938 Ramachandran restraints generated. 14469 Oldfield, 0 Emsley, 14469 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2528 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 2522 time to evaluate : 10.101 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 outliers start: 6 outliers final: 0 residues processed: 2525 average time/residue: 0.9941 time to fit residues: 4441.1033 Evaluate side-chains 2049 residues out of total 12519 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2049 time to evaluate : 9.966 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 13.6524 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1443 random chunks: chunk 909 optimal weight: 10.0000 chunk 1219 optimal weight: 6.9990 chunk 350 optimal weight: 5.9990 chunk 1055 optimal weight: 5.9990 chunk 169 optimal weight: 9.9990 chunk 318 optimal weight: 6.9990 chunk 1146 optimal weight: 8.9990 chunk 479 optimal weight: 8.9990 chunk 1177 optimal weight: 8.9990 chunk 145 optimal weight: 4.9990 chunk 211 optimal weight: 8.9990 overall best weight: 6.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 106 GLN D 89 GLN D 106 GLN ** D 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 106 GLN ** F 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 304 GLN H 106 GLN ** H 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 202 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 246 ASN ** J 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 33 HIS L 106 GLN L 246 ASN ** L 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 304 GLN ** P 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 246 ASN ** S 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 106 GLN Y 304 GLN 0 106 GLN ** 0 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 246 ASN 2 304 GLN 4 89 GLN ** 4 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 106 GLN ** 6 304 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 304 GLN a 366 GLN B 106 GLN ** B 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 304 GLN g 246 ASN i 106 GLN i 246 ASN k 246 ASN ** k 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 89 GLN s 202 GLN s 246 ASN u 246 ASN ** u 321 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 246 ASN y 111 GLN y 304 GLN AC 246 ASN AE 89 GLN AE 246 ASN AG 106 GLN AG 246 ASN AI 202 GLN AI 246 ASN AK 164 ASN AK 304 GLN AK 321 GLN AM 106 GLN AO 246 ASN Total number of N/Q/H flips: 46 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3546 r_free = 0.3546 target = 0.140081 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 42)----------------| | r_work = 0.3376 r_free = 0.3376 target = 0.127347 restraints weight = 202386.477| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 38)----------------| | r_work = 0.3409 r_free = 0.3409 target = 0.129756 restraints weight = 135402.171| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 25)----------------| | r_work = 0.3432 r_free = 0.3432 target = 0.131463 restraints weight = 98678.536| |-----------------------------------------------------------------------------| r_work (final): 0.3425 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7769 moved from start: 0.6400 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.062 122304 Z= 0.253 Angle : 0.677 13.670 166257 Z= 0.338 Chirality : 0.044 0.216 19227 Planarity : 0.005 0.147 20631 Dihedral : 7.468 70.932 18720 Min Nonbonded Distance : 2.091 Molprobity Statistics. All-atom Clashscore : 11.84 Ramachandran Plot: Outliers : 1.04 % Allowed : 8.25 % Favored : 90.71 % Rotamer Outliers : 0.05 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.56 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.58 (0.06), residues: 14469 helix: -0.09 (0.06), residues: 7020 sheet: None (None), residues: 0 loop : -3.55 (0.06), residues: 7449 =============================================================================== Job complete usr+sys time: 57786.78 seconds wall clock time: 992 minutes 43.55 seconds (59563.55 seconds total)