Starting phenix.real_space_refine (version: 1.21rc1) on Tue Apr 25 19:12:18 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2023/7boj_30130.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2023/7boj_30130.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.5 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2023/7boj_30130.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2023/7boj_30130.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2023/7boj_30130.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2023/7boj_30130.pdb" } resolution = 2.5 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= 0.001 sd= 0.011 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 240 5.16 5 C 76260 2.51 5 N 21000 2.21 5 O 24000 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A ARG 70": "NH1" <-> "NH2" Residue "A ARG 77": "NH1" <-> "NH2" Residue "A ARG 94": "NH1" <-> "NH2" Residue "A GLU 129": "OE1" <-> "OE2" Residue "A ARG 161": "NH1" <-> "NH2" Residue "A ARG 192": "NH1" <-> "NH2" Residue "B ARG 70": "NH1" <-> "NH2" Residue "B ARG 77": "NH1" <-> "NH2" Residue "B ARG 94": "NH1" <-> "NH2" Residue "B GLU 129": "OE1" <-> "OE2" Residue "B ARG 161": "NH1" <-> "NH2" Residue "B ARG 192": "NH1" <-> "NH2" Residue "C ARG 70": "NH1" <-> "NH2" Residue "C ARG 77": "NH1" <-> "NH2" Residue "C ARG 94": "NH1" <-> "NH2" Residue "C GLU 129": "OE1" <-> "OE2" Residue "C ARG 161": "NH1" <-> "NH2" Residue "C ARG 192": "NH1" <-> "NH2" Residue "D ARG 70": "NH1" <-> "NH2" Residue "D ARG 77": "NH1" <-> "NH2" Residue "D ARG 94": "NH1" <-> "NH2" Residue "D GLU 129": "OE1" <-> "OE2" Residue "D ARG 161": "NH1" <-> "NH2" Residue "D ARG 192": "NH1" <-> "NH2" Residue "E ARG 70": "NH1" <-> "NH2" Residue "E ARG 77": "NH1" <-> "NH2" Residue "E ARG 94": "NH1" <-> "NH2" Residue "E GLU 129": "OE1" <-> "OE2" Residue "E ARG 161": "NH1" <-> "NH2" Residue "E ARG 192": "NH1" <-> "NH2" Residue "F ARG 70": "NH1" <-> "NH2" Residue "F ARG 77": "NH1" <-> "NH2" Residue "F ARG 94": "NH1" <-> "NH2" Residue "F GLU 129": "OE1" <-> "OE2" Residue "F ARG 161": "NH1" <-> "NH2" Residue "F ARG 192": "NH1" <-> "NH2" Residue "G ARG 70": "NH1" <-> "NH2" Residue "G ARG 77": "NH1" <-> "NH2" Residue "G ARG 94": "NH1" <-> "NH2" Residue "G GLU 129": "OE1" <-> "OE2" Residue "G ARG 161": "NH1" <-> "NH2" Residue "G ARG 192": "NH1" <-> "NH2" Residue "H ARG 70": "NH1" <-> "NH2" Residue "H ARG 77": "NH1" <-> "NH2" Residue "H ARG 94": "NH1" <-> "NH2" Residue "H GLU 129": "OE1" <-> "OE2" Residue "H ARG 161": "NH1" <-> "NH2" Residue "H ARG 192": "NH1" <-> "NH2" Residue "I ARG 70": "NH1" <-> "NH2" Residue "I ARG 77": "NH1" <-> "NH2" Residue "I ARG 94": "NH1" <-> "NH2" Residue "I GLU 129": "OE1" <-> "OE2" Residue "I ARG 161": "NH1" <-> "NH2" Residue "I ARG 192": "NH1" <-> "NH2" Residue "J ARG 70": "NH1" <-> "NH2" Residue "J ARG 77": "NH1" <-> "NH2" Residue "J ARG 94": "NH1" <-> "NH2" Residue "J GLU 129": "OE1" <-> "OE2" Residue "J ARG 161": "NH1" <-> "NH2" Residue "J ARG 192": "NH1" <-> "NH2" Residue "K ARG 70": "NH1" <-> "NH2" Residue "K ARG 77": "NH1" <-> "NH2" Residue "K ARG 94": "NH1" <-> "NH2" Residue "K GLU 129": "OE1" <-> "OE2" Residue "K ARG 161": "NH1" <-> "NH2" Residue "K ARG 192": "NH1" <-> "NH2" Residue "L ARG 70": "NH1" <-> "NH2" Residue "L ARG 77": "NH1" <-> "NH2" Residue "L ARG 94": "NH1" <-> "NH2" Residue "L GLU 129": "OE1" <-> "OE2" Residue "L ARG 161": "NH1" <-> "NH2" Residue "L ARG 192": "NH1" <-> "NH2" Residue "M ARG 70": "NH1" <-> "NH2" Residue "M ARG 77": "NH1" <-> "NH2" Residue "M ARG 94": "NH1" <-> "NH2" Residue "M GLU 129": "OE1" <-> "OE2" Residue "M ARG 161": "NH1" <-> "NH2" Residue "M ARG 192": "NH1" <-> "NH2" Residue "N ARG 70": "NH1" <-> "NH2" Residue "N ARG 77": "NH1" <-> "NH2" Residue "N ARG 94": "NH1" <-> "NH2" Residue "N GLU 129": "OE1" <-> "OE2" Residue "N ARG 161": "NH1" <-> "NH2" Residue "N ARG 192": "NH1" <-> "NH2" Residue "O ARG 70": "NH1" <-> "NH2" Residue "O ARG 77": "NH1" <-> "NH2" Residue "O ARG 94": "NH1" <-> "NH2" Residue "O GLU 129": "OE1" <-> "OE2" Residue "O ARG 161": "NH1" <-> "NH2" Residue "O ARG 192": "NH1" <-> "NH2" Residue "P ARG 70": "NH1" <-> "NH2" Residue "P ARG 77": "NH1" <-> "NH2" Residue "P ARG 94": "NH1" <-> "NH2" Residue "P GLU 129": "OE1" <-> "OE2" Residue "P ARG 161": "NH1" <-> "NH2" Residue "P ARG 192": "NH1" <-> "NH2" Residue "Q ARG 70": "NH1" <-> "NH2" Residue "Q ARG 77": "NH1" <-> "NH2" Residue "Q ARG 94": "NH1" <-> "NH2" Residue "Q GLU 129": "OE1" <-> "OE2" Residue "Q ARG 161": "NH1" <-> "NH2" Residue "Q ARG 192": "NH1" <-> "NH2" Residue "R ARG 70": "NH1" <-> "NH2" Residue "R ARG 77": "NH1" <-> "NH2" Residue "R ARG 94": "NH1" <-> "NH2" Residue "R GLU 129": "OE1" <-> "OE2" Residue "R ARG 161": "NH1" <-> "NH2" Residue "R ARG 192": "NH1" <-> "NH2" Residue "S ARG 70": "NH1" <-> "NH2" Residue "S ARG 77": "NH1" <-> "NH2" Residue "S ARG 94": "NH1" <-> "NH2" Residue "S GLU 129": "OE1" <-> "OE2" Residue "S ARG 161": "NH1" <-> "NH2" Residue "S ARG 192": "NH1" <-> "NH2" Residue "T ARG 70": "NH1" <-> "NH2" Residue "T ARG 77": "NH1" <-> "NH2" Residue "T ARG 94": "NH1" <-> "NH2" Residue "T GLU 129": "OE1" <-> "OE2" Residue "T ARG 161": "NH1" <-> "NH2" Residue "T ARG 192": "NH1" <-> "NH2" Residue "U ARG 70": "NH1" <-> "NH2" Residue "U ARG 77": "NH1" <-> "NH2" Residue "U ARG 94": "NH1" <-> "NH2" Residue "U GLU 129": "OE1" <-> "OE2" Residue "U ARG 161": "NH1" <-> "NH2" Residue "U ARG 192": "NH1" <-> "NH2" Residue "V ARG 70": "NH1" <-> "NH2" Residue "V ARG 77": "NH1" <-> "NH2" Residue "V ARG 94": "NH1" <-> "NH2" Residue "V GLU 129": "OE1" <-> "OE2" Residue "V ARG 161": "NH1" <-> "NH2" Residue "V ARG 192": "NH1" <-> "NH2" Residue "W ARG 70": "NH1" <-> "NH2" Residue "W ARG 77": "NH1" <-> "NH2" Residue "W ARG 94": "NH1" <-> "NH2" Residue "W GLU 129": "OE1" <-> "OE2" Residue "W ARG 161": "NH1" <-> "NH2" Residue "W ARG 192": "NH1" <-> "NH2" Residue "X ARG 70": "NH1" <-> "NH2" Residue "X ARG 77": "NH1" <-> "NH2" Residue "X ARG 94": "NH1" <-> "NH2" Residue "X GLU 129": "OE1" <-> "OE2" Residue "X ARG 161": "NH1" <-> "NH2" Residue "X ARG 192": "NH1" <-> "NH2" Residue "Y ARG 70": "NH1" <-> "NH2" Residue "Y ARG 77": "NH1" <-> "NH2" Residue "Y ARG 94": "NH1" <-> "NH2" Residue "Y GLU 129": "OE1" <-> "OE2" Residue "Y ARG 161": "NH1" <-> "NH2" Residue "Y ARG 192": "NH1" <-> "NH2" Residue "Z ARG 70": "NH1" <-> "NH2" Residue "Z ARG 77": "NH1" <-> "NH2" Residue "Z ARG 94": "NH1" <-> "NH2" Residue "Z GLU 129": "OE1" <-> "OE2" Residue "Z ARG 161": "NH1" <-> "NH2" Residue "Z ARG 192": "NH1" <-> "NH2" Residue "0 ARG 70": "NH1" <-> "NH2" Residue "0 ARG 77": "NH1" <-> "NH2" Residue "0 ARG 94": "NH1" <-> "NH2" Residue "0 GLU 129": "OE1" <-> "OE2" Residue "0 ARG 161": "NH1" <-> "NH2" Residue "0 ARG 192": "NH1" <-> "NH2" Residue "1 ARG 70": "NH1" <-> "NH2" Residue "1 ARG 77": "NH1" <-> "NH2" Residue "1 ARG 94": "NH1" <-> "NH2" Residue "1 GLU 129": "OE1" <-> "OE2" Residue "1 ARG 161": "NH1" <-> "NH2" Residue "1 ARG 192": "NH1" <-> "NH2" Residue "2 ARG 70": "NH1" <-> "NH2" Residue "2 ARG 77": "NH1" <-> "NH2" Residue "2 ARG 94": "NH1" <-> "NH2" Residue "2 GLU 129": "OE1" <-> "OE2" Residue "2 ARG 161": "NH1" <-> "NH2" Residue "2 ARG 192": "NH1" <-> "NH2" Residue "3 ARG 70": "NH1" <-> "NH2" Residue "3 ARG 77": "NH1" <-> "NH2" Residue "3 ARG 94": "NH1" <-> "NH2" Residue "3 GLU 129": "OE1" <-> "OE2" Residue "3 ARG 161": "NH1" <-> "NH2" Residue "3 ARG 192": "NH1" <-> "NH2" Residue "4 ARG 70": "NH1" <-> "NH2" Residue "4 ARG 77": "NH1" <-> "NH2" Residue "4 ARG 94": "NH1" <-> "NH2" Residue "4 GLU 129": "OE1" <-> "OE2" Residue "4 ARG 161": "NH1" <-> "NH2" Residue "4 ARG 192": "NH1" <-> "NH2" Residue "5 ARG 70": "NH1" <-> "NH2" Residue "5 ARG 77": "NH1" <-> "NH2" Residue "5 ARG 94": "NH1" <-> "NH2" Residue "5 GLU 129": "OE1" <-> "OE2" Residue "5 ARG 161": "NH1" <-> "NH2" Residue "5 ARG 192": "NH1" <-> "NH2" Residue "6 ARG 70": "NH1" <-> "NH2" Residue "6 ARG 77": "NH1" <-> "NH2" Residue "6 ARG 94": "NH1" <-> "NH2" Residue "6 GLU 129": "OE1" <-> "OE2" Residue "6 ARG 161": "NH1" <-> "NH2" Residue "6 ARG 192": "NH1" <-> "NH2" Residue "7 ARG 70": "NH1" <-> "NH2" Residue "7 ARG 77": "NH1" <-> "NH2" Residue "7 ARG 94": "NH1" <-> "NH2" Residue "7 GLU 129": "OE1" <-> "OE2" Residue "7 ARG 161": "NH1" <-> "NH2" Residue "7 ARG 192": "NH1" <-> "NH2" Residue "8 ARG 70": "NH1" <-> "NH2" Residue "8 ARG 77": "NH1" <-> "NH2" Residue "8 ARG 94": "NH1" <-> "NH2" Residue "8 GLU 129": "OE1" <-> "OE2" Residue "8 ARG 161": "NH1" <-> "NH2" Residue "8 ARG 192": "NH1" <-> "NH2" Residue "9 ARG 70": "NH1" <-> "NH2" Residue "9 ARG 77": "NH1" <-> "NH2" Residue "9 ARG 94": "NH1" <-> "NH2" Residue "9 GLU 129": "OE1" <-> "OE2" Residue "9 ARG 161": "NH1" <-> "NH2" Residue "9 ARG 192": "NH1" <-> "NH2" Residue "a ARG 70": "NH1" <-> "NH2" Residue "a ARG 77": "NH1" <-> "NH2" Residue "a ARG 94": "NH1" <-> "NH2" Residue "a GLU 129": "OE1" <-> "OE2" Residue "a ARG 161": "NH1" <-> "NH2" Residue "a ARG 192": "NH1" <-> "NH2" Residue "b ARG 70": "NH1" <-> "NH2" Residue "b ARG 77": "NH1" <-> "NH2" Residue "b ARG 94": "NH1" <-> "NH2" Residue "b GLU 129": "OE1" <-> "OE2" Residue "b ARG 161": "NH1" <-> "NH2" Residue "b ARG 192": "NH1" <-> "NH2" Residue "c ARG 70": "NH1" <-> "NH2" Residue "c ARG 77": "NH1" <-> "NH2" Residue "c ARG 94": "NH1" <-> "NH2" Residue "c GLU 129": "OE1" <-> "OE2" Residue "c ARG 161": "NH1" <-> "NH2" Residue "c ARG 192": "NH1" <-> "NH2" Residue "d ARG 70": "NH1" <-> "NH2" Residue "d ARG 77": "NH1" <-> "NH2" Residue "d ARG 94": "NH1" <-> "NH2" Residue "d GLU 129": "OE1" <-> "OE2" Residue "d ARG 161": "NH1" <-> "NH2" Residue "d ARG 192": "NH1" <-> "NH2" Residue "e ARG 70": "NH1" <-> "NH2" Residue "e ARG 77": "NH1" <-> "NH2" Residue "e ARG 94": "NH1" <-> "NH2" Residue "e GLU 129": "OE1" <-> "OE2" Residue "e ARG 161": "NH1" <-> "NH2" Residue "e ARG 192": "NH1" <-> "NH2" Residue "f ARG 70": "NH1" <-> "NH2" Residue "f ARG 77": "NH1" <-> "NH2" Residue "f ARG 94": "NH1" <-> "NH2" Residue "f GLU 129": "OE1" <-> "OE2" Residue "f ARG 161": "NH1" <-> "NH2" Residue "f ARG 192": "NH1" <-> "NH2" Residue "g ARG 70": "NH1" <-> "NH2" Residue "g ARG 77": "NH1" <-> "NH2" Residue "g ARG 94": "NH1" <-> "NH2" Residue "g GLU 129": "OE1" <-> "OE2" Residue "g ARG 161": "NH1" <-> "NH2" Residue "g ARG 192": "NH1" <-> "NH2" Residue "h ARG 70": "NH1" <-> "NH2" Residue "h ARG 77": "NH1" <-> "NH2" Residue "h ARG 94": "NH1" <-> "NH2" Residue "h GLU 129": "OE1" <-> "OE2" Residue "h ARG 161": "NH1" <-> "NH2" Residue "h ARG 192": "NH1" <-> "NH2" Residue "i ARG 70": "NH1" <-> "NH2" Residue "i ARG 77": "NH1" <-> "NH2" Residue "i ARG 94": "NH1" <-> "NH2" Residue "i GLU 129": "OE1" <-> "OE2" Residue "i ARG 161": "NH1" <-> "NH2" Residue "i ARG 192": "NH1" <-> "NH2" Residue "j ARG 70": "NH1" <-> "NH2" Residue "j ARG 77": "NH1" <-> "NH2" Residue "j ARG 94": "NH1" <-> "NH2" Residue "j GLU 129": "OE1" <-> "OE2" Residue "j ARG 161": "NH1" <-> "NH2" Residue "j ARG 192": "NH1" <-> "NH2" Residue "k ARG 70": "NH1" <-> "NH2" Residue "k ARG 77": "NH1" <-> "NH2" Residue "k ARG 94": "NH1" <-> "NH2" Residue "k GLU 129": "OE1" <-> "OE2" Residue "k ARG 161": "NH1" <-> "NH2" Residue "k ARG 192": "NH1" <-> "NH2" Residue "l ARG 70": "NH1" <-> "NH2" Residue "l ARG 77": "NH1" <-> "NH2" Residue "l ARG 94": "NH1" <-> "NH2" Residue "l GLU 129": "OE1" <-> "OE2" Residue "l ARG 161": "NH1" <-> "NH2" Residue "l ARG 192": "NH1" <-> "NH2" Residue "m ARG 70": "NH1" <-> "NH2" Residue "m ARG 77": "NH1" <-> "NH2" Residue "m ARG 94": "NH1" <-> "NH2" Residue "m GLU 129": "OE1" <-> "OE2" Residue "m ARG 161": "NH1" <-> "NH2" Residue "m ARG 192": "NH1" <-> "NH2" Residue "n ARG 70": "NH1" <-> "NH2" Residue "n ARG 77": "NH1" <-> "NH2" Residue "n ARG 94": "NH1" <-> "NH2" Residue "n GLU 129": "OE1" <-> "OE2" Residue "n ARG 161": "NH1" <-> "NH2" Residue "n ARG 192": "NH1" <-> "NH2" Residue "o ARG 70": "NH1" <-> "NH2" Residue "o ARG 77": "NH1" <-> "NH2" Residue "o ARG 94": "NH1" <-> "NH2" Residue "o GLU 129": "OE1" <-> "OE2" Residue "o ARG 161": "NH1" <-> "NH2" Residue "o ARG 192": "NH1" <-> "NH2" Residue "p ARG 70": "NH1" <-> "NH2" Residue "p ARG 77": "NH1" <-> "NH2" Residue "p ARG 94": "NH1" <-> "NH2" Residue "p GLU 129": "OE1" <-> "OE2" Residue "p ARG 161": "NH1" <-> "NH2" Residue "p ARG 192": "NH1" <-> "NH2" Residue "q ARG 70": "NH1" <-> "NH2" Residue "q ARG 77": "NH1" <-> "NH2" Residue "q ARG 94": "NH1" <-> "NH2" Residue "q GLU 129": "OE1" <-> "OE2" Residue "q ARG 161": "NH1" <-> "NH2" Residue "q ARG 192": "NH1" <-> "NH2" Residue "r ARG 70": "NH1" <-> "NH2" Residue "r ARG 77": "NH1" <-> "NH2" Residue "r ARG 94": "NH1" <-> "NH2" Residue "r GLU 129": "OE1" <-> "OE2" Residue "r ARG 161": "NH1" <-> "NH2" Residue "r ARG 192": "NH1" <-> "NH2" Residue "s ARG 70": "NH1" <-> "NH2" Residue "s ARG 77": "NH1" <-> "NH2" Residue "s ARG 94": "NH1" <-> "NH2" Residue "s GLU 129": "OE1" <-> "OE2" Residue "s ARG 161": "NH1" <-> "NH2" Residue "s ARG 192": "NH1" <-> "NH2" Residue "t ARG 70": "NH1" <-> "NH2" Residue "t ARG 77": "NH1" <-> "NH2" Residue "t ARG 94": "NH1" <-> "NH2" Residue "t GLU 129": "OE1" <-> "OE2" Residue "t ARG 161": "NH1" <-> "NH2" Residue "t ARG 192": "NH1" <-> "NH2" Residue "u ARG 70": "NH1" <-> "NH2" Residue "u ARG 77": "NH1" <-> "NH2" Residue "u ARG 94": "NH1" <-> "NH2" Residue "u GLU 129": "OE1" <-> "OE2" Residue "u ARG 161": "NH1" <-> "NH2" Residue "u ARG 192": "NH1" <-> "NH2" Residue "v ARG 70": "NH1" <-> "NH2" Residue "v ARG 77": "NH1" <-> "NH2" Residue "v ARG 94": "NH1" <-> "NH2" Residue "v GLU 129": "OE1" <-> "OE2" Residue "v ARG 161": "NH1" <-> "NH2" Residue "v ARG 192": "NH1" <-> "NH2" Residue "w ARG 70": "NH1" <-> "NH2" Residue "w ARG 77": "NH1" <-> "NH2" Residue "w ARG 94": "NH1" <-> "NH2" Residue "w GLU 129": "OE1" <-> "OE2" Residue "w ARG 161": "NH1" <-> "NH2" Residue "w ARG 192": "NH1" <-> "NH2" Residue "x ARG 70": "NH1" <-> "NH2" Residue "x ARG 77": "NH1" <-> "NH2" Residue "x ARG 94": "NH1" <-> "NH2" Residue "x GLU 129": "OE1" <-> "OE2" Residue "x ARG 161": "NH1" <-> "NH2" Residue "x ARG 192": "NH1" <-> "NH2" Time to flip residues: 0.30s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-4938/modules/chem_data/mon_lib" Total number of atoms: 121500 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "B" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "C" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "D" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "E" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "F" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "G" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "H" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "I" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "J" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "K" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "L" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "M" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "N" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "O" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "P" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "Q" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "R" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "S" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "T" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "U" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "V" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "W" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "X" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "Y" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "Z" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "0" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "1" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "2" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "3" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "4" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "5" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "6" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "7" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "8" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "9" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "a" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "b" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "c" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "d" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "e" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "f" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "g" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "h" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "i" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "j" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "k" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "l" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "m" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "n" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "o" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "p" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "q" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "r" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "s" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "t" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "u" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "v" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "w" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "x" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Time building chain proxies: 45.37, per 1000 atoms: 0.37 Number of scatterers: 121500 At special positions: 0 Unit cell: (240.24, 240.24, 240.24, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) S 240 16.00 O 24000 8.00 N 21000 7.00 C 76260 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: 34.93 Conformation dependent library (CDL) restraints added in 13.3 seconds 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 29640 Finding SS restraints... Secondary structure from input PDB file: 600 helices and 240 sheets defined 39.2% alpha, 26.4% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 5.72 Creating SS restraints... Processing helix chain 'A' and resid 5 through 9 Processing helix chain 'A' and resid 12 through 31 Processing helix chain 'A' and resid 32 through 36 Processing helix chain 'A' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL A 92 " --> pdb=" O ASP A 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU A 93 " --> pdb=" O ILE A 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG A 94 " --> pdb=" O ASP A 90 " (cutoff:3.500A) Processing helix chain 'A' and resid 101 through 122 Processing helix chain 'A' and resid 130 through 135 Processing helix chain 'A' and resid 145 through 147 No H-bonds generated for 'chain 'A' and resid 145 through 147' Processing helix chain 'A' and resid 148 through 164 Processing helix chain 'A' and resid 174 through 183 Processing helix chain 'A' and resid 191 through 197 Processing helix chain 'B' and resid 5 through 9 Processing helix chain 'B' and resid 12 through 31 Processing helix chain 'B' and resid 32 through 36 Processing helix chain 'B' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL B 92 " --> pdb=" O ASP B 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU B 93 " --> pdb=" O ILE B 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG B 94 " --> pdb=" O ASP B 90 " (cutoff:3.500A) Processing helix chain 'B' and resid 101 through 122 Processing helix chain 'B' and resid 130 through 135 Processing helix chain 'B' and resid 145 through 147 No H-bonds generated for 'chain 'B' and resid 145 through 147' Processing helix chain 'B' and resid 148 through 164 Processing helix chain 'B' and resid 174 through 183 Processing helix chain 'B' and resid 191 through 197 Processing helix chain 'C' and resid 5 through 9 Processing helix chain 'C' and resid 12 through 31 Processing helix chain 'C' and resid 32 through 36 Processing helix chain 'C' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL C 92 " --> pdb=" O ASP C 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU C 93 " --> pdb=" O ILE C 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG C 94 " --> pdb=" O ASP C 90 " (cutoff:3.500A) Processing helix chain 'C' and resid 101 through 122 Processing helix chain 'C' and resid 130 through 135 Processing helix chain 'C' and resid 145 through 147 No H-bonds generated for 'chain 'C' and resid 145 through 147' Processing helix chain 'C' and resid 148 through 164 Processing helix chain 'C' and resid 174 through 183 Processing helix chain 'C' and resid 191 through 197 Processing helix chain 'D' and resid 5 through 9 Processing helix chain 'D' and resid 12 through 31 Processing helix chain 'D' and resid 32 through 36 Processing helix chain 'D' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL D 92 " --> pdb=" O ASP D 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU D 93 " --> pdb=" O ILE D 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG D 94 " --> pdb=" O ASP D 90 " (cutoff:3.500A) Processing helix chain 'D' and resid 101 through 122 Processing helix chain 'D' and resid 130 through 135 Processing helix chain 'D' and resid 145 through 147 No H-bonds generated for 'chain 'D' and resid 145 through 147' Processing helix chain 'D' and resid 148 through 164 Processing helix chain 'D' and resid 174 through 183 Processing helix chain 'D' and resid 191 through 197 Processing helix chain 'E' and resid 5 through 9 Processing helix chain 'E' and resid 12 through 31 Processing helix chain 'E' and resid 32 through 36 Processing helix chain 'E' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL E 92 " --> pdb=" O ASP E 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU E 93 " --> pdb=" O ILE E 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG E 94 " --> pdb=" O ASP E 90 " (cutoff:3.500A) Processing helix chain 'E' and resid 101 through 122 Processing helix chain 'E' and resid 130 through 135 Processing helix chain 'E' and resid 145 through 147 No H-bonds generated for 'chain 'E' and resid 145 through 147' Processing helix chain 'E' and resid 148 through 164 Processing helix chain 'E' and resid 174 through 183 Processing helix chain 'E' and resid 191 through 197 Processing helix chain 'F' and resid 5 through 9 Processing helix chain 'F' and resid 12 through 31 Processing helix chain 'F' and resid 32 through 36 Processing helix chain 'F' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL F 92 " --> pdb=" O ASP F 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU F 93 " --> pdb=" O ILE F 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG F 94 " --> pdb=" O ASP F 90 " (cutoff:3.500A) Processing helix chain 'F' and resid 101 through 122 Processing helix chain 'F' and resid 130 through 135 Processing helix chain 'F' and resid 145 through 147 No H-bonds generated for 'chain 'F' and resid 145 through 147' Processing helix chain 'F' and resid 148 through 164 Processing helix chain 'F' and resid 174 through 183 Processing helix chain 'F' and resid 191 through 197 Processing helix chain 'G' and resid 5 through 9 Processing helix chain 'G' and resid 12 through 31 Processing helix chain 'G' and resid 32 through 36 Processing helix chain 'G' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL G 92 " --> pdb=" O ASP G 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU G 93 " --> pdb=" O ILE G 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG G 94 " --> pdb=" O ASP G 90 " (cutoff:3.500A) Processing helix chain 'G' and resid 101 through 122 Processing helix chain 'G' and resid 130 through 135 Processing helix chain 'G' and resid 145 through 147 No H-bonds generated for 'chain 'G' and resid 145 through 147' Processing helix chain 'G' and resid 148 through 164 Processing helix chain 'G' and resid 174 through 183 Processing helix chain 'G' and resid 191 through 197 Processing helix chain 'H' and resid 5 through 9 Processing helix chain 'H' and resid 12 through 31 Processing helix chain 'H' and resid 32 through 36 Processing helix chain 'H' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL H 92 " --> pdb=" O ASP H 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU H 93 " --> pdb=" O ILE H 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG H 94 " --> pdb=" O ASP H 90 " (cutoff:3.500A) Processing helix chain 'H' and resid 101 through 122 Processing helix chain 'H' and resid 130 through 135 Processing helix chain 'H' and resid 145 through 147 No H-bonds generated for 'chain 'H' and resid 145 through 147' Processing helix chain 'H' and resid 148 through 164 Processing helix chain 'H' and resid 174 through 183 Processing helix chain 'H' and resid 191 through 197 Processing helix chain 'I' and resid 5 through 9 Processing helix chain 'I' and resid 12 through 31 Processing helix chain 'I' and resid 32 through 36 Processing helix chain 'I' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL I 92 " --> pdb=" O ASP I 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU I 93 " --> pdb=" O ILE I 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG I 94 " --> pdb=" O ASP I 90 " (cutoff:3.500A) Processing helix chain 'I' and resid 101 through 122 Processing helix chain 'I' and resid 130 through 135 Processing helix chain 'I' and resid 145 through 147 No H-bonds generated for 'chain 'I' and resid 145 through 147' Processing helix chain 'I' and resid 148 through 164 Processing helix chain 'I' and resid 174 through 183 Processing helix chain 'I' and resid 191 through 197 Processing helix chain 'J' and resid 5 through 9 Processing helix chain 'J' and resid 12 through 31 Processing helix chain 'J' and resid 32 through 36 Processing helix chain 'J' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL J 92 " --> pdb=" O ASP J 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU J 93 " --> pdb=" O ILE J 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG J 94 " --> pdb=" O ASP J 90 " (cutoff:3.500A) Processing helix chain 'J' and resid 101 through 122 Processing helix chain 'J' and resid 130 through 135 Processing helix chain 'J' and resid 145 through 147 No H-bonds generated for 'chain 'J' and resid 145 through 147' Processing helix chain 'J' and resid 148 through 164 Processing helix chain 'J' and resid 174 through 183 Processing helix chain 'J' and resid 191 through 197 Processing helix chain 'K' and resid 5 through 9 Processing helix chain 'K' and resid 12 through 31 Processing helix chain 'K' and resid 32 through 36 Processing helix chain 'K' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL K 92 " --> pdb=" O ASP K 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU K 93 " --> pdb=" O ILE K 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG K 94 " --> pdb=" O ASP K 90 " (cutoff:3.500A) Processing helix chain 'K' and resid 101 through 122 Processing helix chain 'K' and resid 130 through 135 Processing helix chain 'K' and resid 145 through 147 No H-bonds generated for 'chain 'K' and resid 145 through 147' Processing helix chain 'K' and resid 148 through 164 Processing helix chain 'K' and resid 174 through 183 Processing helix chain 'K' and resid 191 through 197 Processing helix chain 'L' and resid 5 through 9 Processing helix chain 'L' and resid 12 through 31 Processing helix chain 'L' and resid 32 through 36 Processing helix chain 'L' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL L 92 " --> pdb=" O ASP L 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU L 93 " --> pdb=" O ILE L 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG L 94 " --> pdb=" O ASP L 90 " (cutoff:3.500A) Processing helix chain 'L' and resid 101 through 122 Processing helix chain 'L' and resid 130 through 135 Processing helix chain 'L' and resid 145 through 147 No H-bonds generated for 'chain 'L' and resid 145 through 147' Processing helix chain 'L' and resid 148 through 164 Processing helix chain 'L' and resid 174 through 183 Processing helix chain 'L' and resid 191 through 197 Processing helix chain 'M' and resid 5 through 9 Processing helix chain 'M' and resid 12 through 31 Processing helix chain 'M' and resid 32 through 36 Processing helix chain 'M' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL M 92 " --> pdb=" O ASP M 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU M 93 " --> pdb=" O ILE M 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG M 94 " --> pdb=" O ASP M 90 " (cutoff:3.500A) Processing helix chain 'M' and resid 101 through 122 Processing helix chain 'M' and resid 130 through 135 Processing helix chain 'M' and resid 145 through 147 No H-bonds generated for 'chain 'M' and resid 145 through 147' Processing helix chain 'M' and resid 148 through 164 Processing helix chain 'M' and resid 174 through 183 Processing helix chain 'M' and resid 191 through 197 Processing helix chain 'N' and resid 5 through 9 Processing helix chain 'N' and resid 12 through 31 Processing helix chain 'N' and resid 32 through 36 Processing helix chain 'N' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL N 92 " --> pdb=" O ASP N 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU N 93 " --> pdb=" O ILE N 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG N 94 " --> pdb=" O ASP N 90 " (cutoff:3.500A) Processing helix chain 'N' and resid 101 through 122 Processing helix chain 'N' and resid 130 through 135 Processing helix chain 'N' and resid 145 through 147 No H-bonds generated for 'chain 'N' and resid 145 through 147' Processing helix chain 'N' and resid 148 through 164 Processing helix chain 'N' and resid 174 through 183 Processing helix chain 'N' and resid 191 through 197 Processing helix chain 'O' and resid 5 through 9 Processing helix chain 'O' and resid 12 through 31 Processing helix chain 'O' and resid 32 through 36 Processing helix chain 'O' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL O 92 " --> pdb=" O ASP O 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU O 93 " --> pdb=" O ILE O 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG O 94 " --> pdb=" O ASP O 90 " (cutoff:3.500A) Processing helix chain 'O' and resid 101 through 122 Processing helix chain 'O' and resid 130 through 135 Processing helix chain 'O' and resid 145 through 147 No H-bonds generated for 'chain 'O' and resid 145 through 147' Processing helix chain 'O' and resid 148 through 164 Processing helix chain 'O' and resid 174 through 183 Processing helix chain 'O' and resid 191 through 197 Processing helix chain 'P' and resid 5 through 9 Processing helix chain 'P' and resid 12 through 31 Processing helix chain 'P' and resid 32 through 36 Processing helix chain 'P' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL P 92 " --> pdb=" O ASP P 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU P 93 " --> pdb=" O ILE P 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG P 94 " --> pdb=" O ASP P 90 " (cutoff:3.500A) Processing helix chain 'P' and resid 101 through 122 Processing helix chain 'P' and resid 130 through 135 Processing helix chain 'P' and resid 145 through 147 No H-bonds generated for 'chain 'P' and resid 145 through 147' Processing helix chain 'P' and resid 148 through 164 Processing helix chain 'P' and resid 174 through 183 Processing helix chain 'P' and resid 191 through 197 Processing helix chain 'Q' and resid 5 through 9 Processing helix chain 'Q' and resid 12 through 31 Processing helix chain 'Q' and resid 32 through 36 Processing helix chain 'Q' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL Q 92 " --> pdb=" O ASP Q 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU Q 93 " --> pdb=" O ILE Q 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG Q 94 " --> pdb=" O ASP Q 90 " (cutoff:3.500A) Processing helix chain 'Q' and resid 101 through 122 Processing helix chain 'Q' and resid 130 through 135 Processing helix chain 'Q' and resid 145 through 147 No H-bonds generated for 'chain 'Q' and resid 145 through 147' Processing helix chain 'Q' and resid 148 through 164 Processing helix chain 'Q' and resid 174 through 183 Processing helix chain 'Q' and resid 191 through 197 Processing helix chain 'R' and resid 5 through 9 Processing helix chain 'R' and resid 12 through 31 Processing helix chain 'R' and resid 32 through 36 Processing helix chain 'R' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL R 92 " --> pdb=" O ASP R 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU R 93 " --> pdb=" O ILE R 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG R 94 " --> pdb=" O ASP R 90 " (cutoff:3.500A) Processing helix chain 'R' and resid 101 through 122 Processing helix chain 'R' and resid 130 through 135 Processing helix chain 'R' and resid 145 through 147 No H-bonds generated for 'chain 'R' and resid 145 through 147' Processing helix chain 'R' and resid 148 through 164 Processing helix chain 'R' and resid 174 through 183 Processing helix chain 'R' and resid 191 through 197 Processing helix chain 'S' and resid 5 through 9 Processing helix chain 'S' and resid 12 through 31 Processing helix chain 'S' and resid 32 through 36 Processing helix chain 'S' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL S 92 " --> pdb=" O ASP S 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU S 93 " --> pdb=" O ILE S 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG S 94 " --> pdb=" O ASP S 90 " (cutoff:3.500A) Processing helix chain 'S' and resid 101 through 122 Processing helix chain 'S' and resid 130 through 135 Processing helix chain 'S' and resid 145 through 147 No H-bonds generated for 'chain 'S' and resid 145 through 147' Processing helix chain 'S' and resid 148 through 164 Processing helix chain 'S' and resid 174 through 183 Processing helix chain 'S' and resid 191 through 197 Processing helix chain 'T' and resid 5 through 9 Processing helix chain 'T' and resid 12 through 31 Processing helix chain 'T' and resid 32 through 36 Processing helix chain 'T' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL T 92 " --> pdb=" O ASP T 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU T 93 " --> pdb=" O ILE T 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG T 94 " --> pdb=" O ASP T 90 " (cutoff:3.500A) Processing helix chain 'T' and resid 101 through 122 Processing helix chain 'T' and resid 130 through 135 Processing helix chain 'T' and resid 145 through 147 No H-bonds generated for 'chain 'T' and resid 145 through 147' Processing helix chain 'T' and resid 148 through 164 Processing helix chain 'T' and resid 174 through 183 Processing helix chain 'T' and resid 191 through 197 Processing helix chain 'U' and resid 5 through 9 Processing helix chain 'U' and resid 12 through 31 Processing helix chain 'U' and resid 32 through 36 Processing helix chain 'U' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL U 92 " --> pdb=" O ASP U 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU U 93 " --> pdb=" O ILE U 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG U 94 " --> pdb=" O ASP U 90 " (cutoff:3.500A) Processing helix chain 'U' and resid 101 through 122 Processing helix chain 'U' and resid 130 through 135 Processing helix chain 'U' and resid 145 through 147 No H-bonds generated for 'chain 'U' and resid 145 through 147' Processing helix chain 'U' and resid 148 through 164 Processing helix chain 'U' and resid 174 through 183 Processing helix chain 'U' and resid 191 through 197 Processing helix chain 'V' and resid 5 through 9 Processing helix chain 'V' and resid 12 through 31 Processing helix chain 'V' and resid 32 through 36 Processing helix chain 'V' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL V 92 " --> pdb=" O ASP V 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU V 93 " --> pdb=" O ILE V 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG V 94 " --> pdb=" O ASP V 90 " (cutoff:3.500A) Processing helix chain 'V' and resid 101 through 122 Processing helix chain 'V' and resid 130 through 135 Processing helix chain 'V' and resid 145 through 147 No H-bonds generated for 'chain 'V' and resid 145 through 147' Processing helix chain 'V' and resid 148 through 164 Processing helix chain 'V' and resid 174 through 183 Processing helix chain 'V' and resid 191 through 197 Processing helix chain 'W' and resid 5 through 9 Processing helix chain 'W' and resid 12 through 31 Processing helix chain 'W' and resid 32 through 36 Processing helix chain 'W' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL W 92 " --> pdb=" O ASP W 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU W 93 " --> pdb=" O ILE W 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG W 94 " --> pdb=" O ASP W 90 " (cutoff:3.500A) Processing helix chain 'W' and resid 101 through 122 Processing helix chain 'W' and resid 130 through 135 Processing helix chain 'W' and resid 145 through 147 No H-bonds generated for 'chain 'W' and resid 145 through 147' Processing helix chain 'W' and resid 148 through 164 Processing helix chain 'W' and resid 174 through 183 Processing helix chain 'W' and resid 191 through 197 Processing helix chain 'X' and resid 5 through 9 Processing helix chain 'X' and resid 12 through 31 Processing helix chain 'X' and resid 32 through 36 Processing helix chain 'X' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL X 92 " --> pdb=" O ASP X 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU X 93 " --> pdb=" O ILE X 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG X 94 " --> pdb=" O ASP X 90 " (cutoff:3.500A) Processing helix chain 'X' and resid 101 through 122 Processing helix chain 'X' and resid 130 through 135 Processing helix chain 'X' and resid 145 through 147 No H-bonds generated for 'chain 'X' and resid 145 through 147' Processing helix chain 'X' and resid 148 through 164 Processing helix chain 'X' and resid 174 through 183 Processing helix chain 'X' and resid 191 through 197 Processing helix chain 'Y' and resid 5 through 9 Processing helix chain 'Y' and resid 12 through 31 Processing helix chain 'Y' and resid 32 through 36 Processing helix chain 'Y' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL Y 92 " --> pdb=" O ASP Y 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU Y 93 " --> pdb=" O ILE Y 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG Y 94 " --> pdb=" O ASP Y 90 " (cutoff:3.500A) Processing helix chain 'Y' and resid 101 through 122 Processing helix chain 'Y' and resid 130 through 135 Processing helix chain 'Y' and resid 145 through 147 No H-bonds generated for 'chain 'Y' and resid 145 through 147' Processing helix chain 'Y' and resid 148 through 164 Processing helix chain 'Y' and resid 174 through 183 Processing helix chain 'Y' and resid 191 through 197 Processing helix chain 'Z' and resid 5 through 9 Processing helix chain 'Z' and resid 12 through 31 Processing helix chain 'Z' and resid 32 through 36 Processing helix chain 'Z' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL Z 92 " --> pdb=" O ASP Z 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU Z 93 " --> pdb=" O ILE Z 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG Z 94 " --> pdb=" O ASP Z 90 " (cutoff:3.500A) Processing helix chain 'Z' and resid 101 through 122 Processing helix chain 'Z' and resid 130 through 135 Processing helix chain 'Z' and resid 145 through 147 No H-bonds generated for 'chain 'Z' and resid 145 through 147' Processing helix chain 'Z' and resid 148 through 164 Processing helix chain 'Z' and resid 174 through 183 Processing helix chain 'Z' and resid 191 through 197 Processing helix chain '0' and resid 5 through 9 Processing helix chain '0' and resid 12 through 31 Processing helix chain '0' and resid 32 through 36 Processing helix chain '0' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL 0 92 " --> pdb=" O ASP 0 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 0 93 " --> pdb=" O ILE 0 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG 0 94 " --> pdb=" O ASP 0 90 " (cutoff:3.500A) Processing helix chain '0' and resid 101 through 122 Processing helix chain '0' and resid 130 through 135 Processing helix chain '0' and resid 145 through 147 No H-bonds generated for 'chain '0' and resid 145 through 147' Processing helix chain '0' and resid 148 through 164 Processing helix chain '0' and resid 174 through 183 Processing helix chain '0' and resid 191 through 197 Processing helix chain '1' and resid 5 through 9 Processing helix chain '1' and resid 12 through 31 Processing helix chain '1' and resid 32 through 36 Processing helix chain '1' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 1 92 " --> pdb=" O ASP 1 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 1 93 " --> pdb=" O ILE 1 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 1 94 " --> pdb=" O ASP 1 90 " (cutoff:3.500A) Processing helix chain '1' and resid 101 through 122 Processing helix chain '1' and resid 130 through 135 Processing helix chain '1' and resid 145 through 147 No H-bonds generated for 'chain '1' and resid 145 through 147' Processing helix chain '1' and resid 148 through 164 Processing helix chain '1' and resid 174 through 183 Processing helix chain '1' and resid 191 through 197 Processing helix chain '2' and resid 5 through 9 Processing helix chain '2' and resid 12 through 31 Processing helix chain '2' and resid 32 through 36 Processing helix chain '2' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL 2 92 " --> pdb=" O ASP 2 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 2 93 " --> pdb=" O ILE 2 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 2 94 " --> pdb=" O ASP 2 90 " (cutoff:3.500A) Processing helix chain '2' and resid 101 through 122 Processing helix chain '2' and resid 130 through 135 Processing helix chain '2' and resid 145 through 147 No H-bonds generated for 'chain '2' and resid 145 through 147' Processing helix chain '2' and resid 148 through 164 Processing helix chain '2' and resid 174 through 183 Processing helix chain '2' and resid 191 through 197 Processing helix chain '3' and resid 5 through 9 Processing helix chain '3' and resid 12 through 31 Processing helix chain '3' and resid 32 through 36 Processing helix chain '3' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 3 92 " --> pdb=" O ASP 3 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU 3 93 " --> pdb=" O ILE 3 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG 3 94 " --> pdb=" O ASP 3 90 " (cutoff:3.500A) Processing helix chain '3' and resid 101 through 122 Processing helix chain '3' and resid 130 through 135 Processing helix chain '3' and resid 145 through 147 No H-bonds generated for 'chain '3' and resid 145 through 147' Processing helix chain '3' and resid 148 through 164 Processing helix chain '3' and resid 174 through 183 Processing helix chain '3' and resid 191 through 197 Processing helix chain '4' and resid 5 through 9 Processing helix chain '4' and resid 12 through 31 Processing helix chain '4' and resid 32 through 36 Processing helix chain '4' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 4 92 " --> pdb=" O ASP 4 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 4 93 " --> pdb=" O ILE 4 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 4 94 " --> pdb=" O ASP 4 90 " (cutoff:3.500A) Processing helix chain '4' and resid 101 through 122 Processing helix chain '4' and resid 130 through 135 Processing helix chain '4' and resid 145 through 147 No H-bonds generated for 'chain '4' and resid 145 through 147' Processing helix chain '4' and resid 148 through 164 Processing helix chain '4' and resid 174 through 183 Processing helix chain '4' and resid 191 through 197 Processing helix chain '5' and resid 5 through 9 Processing helix chain '5' and resid 12 through 31 Processing helix chain '5' and resid 32 through 36 Processing helix chain '5' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL 5 92 " --> pdb=" O ASP 5 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 5 93 " --> pdb=" O ILE 5 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG 5 94 " --> pdb=" O ASP 5 90 " (cutoff:3.500A) Processing helix chain '5' and resid 101 through 122 Processing helix chain '5' and resid 130 through 135 Processing helix chain '5' and resid 145 through 147 No H-bonds generated for 'chain '5' and resid 145 through 147' Processing helix chain '5' and resid 148 through 164 Processing helix chain '5' and resid 174 through 183 Processing helix chain '5' and resid 191 through 197 Processing helix chain '6' and resid 5 through 9 Processing helix chain '6' and resid 12 through 31 Processing helix chain '6' and resid 32 through 36 Processing helix chain '6' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 6 92 " --> pdb=" O ASP 6 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 6 93 " --> pdb=" O ILE 6 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 6 94 " --> pdb=" O ASP 6 90 " (cutoff:3.500A) Processing helix chain '6' and resid 101 through 122 Processing helix chain '6' and resid 130 through 135 Processing helix chain '6' and resid 145 through 147 No H-bonds generated for 'chain '6' and resid 145 through 147' Processing helix chain '6' and resid 148 through 164 Processing helix chain '6' and resid 174 through 183 Processing helix chain '6' and resid 191 through 197 Processing helix chain '7' and resid 5 through 9 Processing helix chain '7' and resid 12 through 31 Processing helix chain '7' and resid 32 through 36 Processing helix chain '7' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL 7 92 " --> pdb=" O ASP 7 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 7 93 " --> pdb=" O ILE 7 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 7 94 " --> pdb=" O ASP 7 90 " (cutoff:3.500A) Processing helix chain '7' and resid 101 through 122 Processing helix chain '7' and resid 130 through 135 Processing helix chain '7' and resid 145 through 147 No H-bonds generated for 'chain '7' and resid 145 through 147' Processing helix chain '7' and resid 148 through 164 Processing helix chain '7' and resid 174 through 183 Processing helix chain '7' and resid 191 through 197 Processing helix chain '8' and resid 5 through 9 Processing helix chain '8' and resid 12 through 31 Processing helix chain '8' and resid 32 through 36 Processing helix chain '8' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 8 92 " --> pdb=" O ASP 8 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU 8 93 " --> pdb=" O ILE 8 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG 8 94 " --> pdb=" O ASP 8 90 " (cutoff:3.500A) Processing helix chain '8' and resid 101 through 122 Processing helix chain '8' and resid 130 through 135 Processing helix chain '8' and resid 145 through 147 No H-bonds generated for 'chain '8' and resid 145 through 147' Processing helix chain '8' and resid 148 through 164 Processing helix chain '8' and resid 174 through 183 Processing helix chain '8' and resid 191 through 197 Processing helix chain '9' and resid 5 through 9 Processing helix chain '9' and resid 12 through 31 Processing helix chain '9' and resid 32 through 36 Processing helix chain '9' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 9 92 " --> pdb=" O ASP 9 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 9 93 " --> pdb=" O ILE 9 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 9 94 " --> pdb=" O ASP 9 90 " (cutoff:3.500A) Processing helix chain '9' and resid 101 through 122 Processing helix chain '9' and resid 130 through 135 Processing helix chain '9' and resid 145 through 147 No H-bonds generated for 'chain '9' and resid 145 through 147' Processing helix chain '9' and resid 148 through 164 Processing helix chain '9' and resid 174 through 183 Processing helix chain '9' and resid 191 through 197 Processing helix chain 'a' and resid 5 through 9 Processing helix chain 'a' and resid 12 through 31 Processing helix chain 'a' and resid 32 through 36 Processing helix chain 'a' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL a 92 " --> pdb=" O ASP a 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU a 93 " --> pdb=" O ILE a 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG a 94 " --> pdb=" O ASP a 90 " (cutoff:3.500A) Processing helix chain 'a' and resid 101 through 122 Processing helix chain 'a' and resid 130 through 135 Processing helix chain 'a' and resid 145 through 147 No H-bonds generated for 'chain 'a' and resid 145 through 147' Processing helix chain 'a' and resid 148 through 164 Processing helix chain 'a' and resid 174 through 183 Processing helix chain 'a' and resid 191 through 197 Processing helix chain 'b' and resid 5 through 9 Processing helix chain 'b' and resid 12 through 31 Processing helix chain 'b' and resid 32 through 36 Processing helix chain 'b' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL b 92 " --> pdb=" O ASP b 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU b 93 " --> pdb=" O ILE b 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG b 94 " --> pdb=" O ASP b 90 " (cutoff:3.500A) Processing helix chain 'b' and resid 101 through 122 Processing helix chain 'b' and resid 130 through 135 Processing helix chain 'b' and resid 145 through 147 No H-bonds generated for 'chain 'b' and resid 145 through 147' Processing helix chain 'b' and resid 148 through 164 Processing helix chain 'b' and resid 174 through 183 Processing helix chain 'b' and resid 191 through 197 Processing helix chain 'c' and resid 5 through 9 Processing helix chain 'c' and resid 12 through 31 Processing helix chain 'c' and resid 32 through 36 Processing helix chain 'c' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL c 92 " --> pdb=" O ASP c 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU c 93 " --> pdb=" O ILE c 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG c 94 " --> pdb=" O ASP c 90 " (cutoff:3.500A) Processing helix chain 'c' and resid 101 through 122 Processing helix chain 'c' and resid 130 through 135 Processing helix chain 'c' and resid 145 through 147 No H-bonds generated for 'chain 'c' and resid 145 through 147' Processing helix chain 'c' and resid 148 through 164 Processing helix chain 'c' and resid 174 through 183 Processing helix chain 'c' and resid 191 through 197 Processing helix chain 'd' and resid 5 through 9 Processing helix chain 'd' and resid 12 through 31 Processing helix chain 'd' and resid 32 through 36 Processing helix chain 'd' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL d 92 " --> pdb=" O ASP d 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU d 93 " --> pdb=" O ILE d 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG d 94 " --> pdb=" O ASP d 90 " (cutoff:3.500A) Processing helix chain 'd' and resid 101 through 122 Processing helix chain 'd' and resid 130 through 135 Processing helix chain 'd' and resid 145 through 147 No H-bonds generated for 'chain 'd' and resid 145 through 147' Processing helix chain 'd' and resid 148 through 164 Processing helix chain 'd' and resid 174 through 183 Processing helix chain 'd' and resid 191 through 197 Processing helix chain 'e' and resid 5 through 9 Processing helix chain 'e' and resid 12 through 31 Processing helix chain 'e' and resid 32 through 36 Processing helix chain 'e' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL e 92 " --> pdb=" O ASP e 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU e 93 " --> pdb=" O ILE e 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG e 94 " --> pdb=" O ASP e 90 " (cutoff:3.500A) Processing helix chain 'e' and resid 101 through 122 Processing helix chain 'e' and resid 130 through 135 Processing helix chain 'e' and resid 145 through 147 No H-bonds generated for 'chain 'e' and resid 145 through 147' Processing helix chain 'e' and resid 148 through 164 Processing helix chain 'e' and resid 174 through 183 Processing helix chain 'e' and resid 191 through 197 Processing helix chain 'f' and resid 5 through 9 Processing helix chain 'f' and resid 12 through 31 Processing helix chain 'f' and resid 32 through 36 Processing helix chain 'f' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL f 92 " --> pdb=" O ASP f 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU f 93 " --> pdb=" O ILE f 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG f 94 " --> pdb=" O ASP f 90 " (cutoff:3.500A) Processing helix chain 'f' and resid 101 through 122 Processing helix chain 'f' and resid 130 through 135 Processing helix chain 'f' and resid 145 through 147 No H-bonds generated for 'chain 'f' and resid 145 through 147' Processing helix chain 'f' and resid 148 through 164 Processing helix chain 'f' and resid 174 through 183 Processing helix chain 'f' and resid 191 through 197 Processing helix chain 'g' and resid 5 through 9 Processing helix chain 'g' and resid 12 through 31 Processing helix chain 'g' and resid 32 through 36 Processing helix chain 'g' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL g 92 " --> pdb=" O ASP g 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU g 93 " --> pdb=" O ILE g 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG g 94 " --> pdb=" O ASP g 90 " (cutoff:3.500A) Processing helix chain 'g' and resid 101 through 122 Processing helix chain 'g' and resid 130 through 135 Processing helix chain 'g' and resid 145 through 147 No H-bonds generated for 'chain 'g' and resid 145 through 147' Processing helix chain 'g' and resid 148 through 164 Processing helix chain 'g' and resid 174 through 183 Processing helix chain 'g' and resid 191 through 197 Processing helix chain 'h' and resid 5 through 9 Processing helix chain 'h' and resid 12 through 31 Processing helix chain 'h' and resid 32 through 36 Processing helix chain 'h' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL h 92 " --> pdb=" O ASP h 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU h 93 " --> pdb=" O ILE h 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG h 94 " --> pdb=" O ASP h 90 " (cutoff:3.500A) Processing helix chain 'h' and resid 101 through 122 Processing helix chain 'h' and resid 130 through 135 Processing helix chain 'h' and resid 145 through 147 No H-bonds generated for 'chain 'h' and resid 145 through 147' Processing helix chain 'h' and resid 148 through 164 Processing helix chain 'h' and resid 174 through 183 Processing helix chain 'h' and resid 191 through 197 Processing helix chain 'i' and resid 5 through 9 Processing helix chain 'i' and resid 12 through 31 Processing helix chain 'i' and resid 32 through 36 Processing helix chain 'i' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL i 92 " --> pdb=" O ASP i 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU i 93 " --> pdb=" O ILE i 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG i 94 " --> pdb=" O ASP i 90 " (cutoff:3.500A) Processing helix chain 'i' and resid 101 through 122 Processing helix chain 'i' and resid 130 through 135 Processing helix chain 'i' and resid 145 through 147 No H-bonds generated for 'chain 'i' and resid 145 through 147' Processing helix chain 'i' and resid 148 through 164 Processing helix chain 'i' and resid 174 through 183 Processing helix chain 'i' and resid 191 through 197 Processing helix chain 'j' and resid 5 through 9 Processing helix chain 'j' and resid 12 through 31 Processing helix chain 'j' and resid 32 through 36 Processing helix chain 'j' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL j 92 " --> pdb=" O ASP j 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU j 93 " --> pdb=" O ILE j 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG j 94 " --> pdb=" O ASP j 90 " (cutoff:3.500A) Processing helix chain 'j' and resid 101 through 122 Processing helix chain 'j' and resid 130 through 135 Processing helix chain 'j' and resid 145 through 147 No H-bonds generated for 'chain 'j' and resid 145 through 147' Processing helix chain 'j' and resid 148 through 164 Processing helix chain 'j' and resid 174 through 183 Processing helix chain 'j' and resid 191 through 197 Processing helix chain 'k' and resid 5 through 9 Processing helix chain 'k' and resid 12 through 31 Processing helix chain 'k' and resid 32 through 36 Processing helix chain 'k' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL k 92 " --> pdb=" O ASP k 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU k 93 " --> pdb=" O ILE k 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG k 94 " --> pdb=" O ASP k 90 " (cutoff:3.500A) Processing helix chain 'k' and resid 101 through 122 Processing helix chain 'k' and resid 130 through 135 Processing helix chain 'k' and resid 145 through 147 No H-bonds generated for 'chain 'k' and resid 145 through 147' Processing helix chain 'k' and resid 148 through 164 Processing helix chain 'k' and resid 174 through 183 Processing helix chain 'k' and resid 191 through 197 Processing helix chain 'l' and resid 5 through 9 Processing helix chain 'l' and resid 12 through 31 Processing helix chain 'l' and resid 32 through 36 Processing helix chain 'l' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL l 92 " --> pdb=" O ASP l 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU l 93 " --> pdb=" O ILE l 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG l 94 " --> pdb=" O ASP l 90 " (cutoff:3.500A) Processing helix chain 'l' and resid 101 through 122 Processing helix chain 'l' and resid 130 through 135 Processing helix chain 'l' and resid 145 through 147 No H-bonds generated for 'chain 'l' and resid 145 through 147' Processing helix chain 'l' and resid 148 through 164 Processing helix chain 'l' and resid 174 through 183 Processing helix chain 'l' and resid 191 through 197 Processing helix chain 'm' and resid 5 through 9 Processing helix chain 'm' and resid 12 through 31 Processing helix chain 'm' and resid 32 through 36 Processing helix chain 'm' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL m 92 " --> pdb=" O ASP m 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU m 93 " --> pdb=" O ILE m 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG m 94 " --> pdb=" O ASP m 90 " (cutoff:3.500A) Processing helix chain 'm' and resid 101 through 122 Processing helix chain 'm' and resid 130 through 135 Processing helix chain 'm' and resid 145 through 147 No H-bonds generated for 'chain 'm' and resid 145 through 147' Processing helix chain 'm' and resid 148 through 164 Processing helix chain 'm' and resid 174 through 183 Processing helix chain 'm' and resid 191 through 197 Processing helix chain 'n' and resid 5 through 9 Processing helix chain 'n' and resid 12 through 31 Processing helix chain 'n' and resid 32 through 36 Processing helix chain 'n' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL n 92 " --> pdb=" O ASP n 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU n 93 " --> pdb=" O ILE n 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG n 94 " --> pdb=" O ASP n 90 " (cutoff:3.500A) Processing helix chain 'n' and resid 101 through 122 Processing helix chain 'n' and resid 130 through 135 Processing helix chain 'n' and resid 145 through 147 No H-bonds generated for 'chain 'n' and resid 145 through 147' Processing helix chain 'n' and resid 148 through 164 Processing helix chain 'n' and resid 174 through 183 Processing helix chain 'n' and resid 191 through 197 Processing helix chain 'o' and resid 5 through 9 Processing helix chain 'o' and resid 12 through 31 Processing helix chain 'o' and resid 32 through 36 Processing helix chain 'o' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL o 92 " --> pdb=" O ASP o 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU o 93 " --> pdb=" O ILE o 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG o 94 " --> pdb=" O ASP o 90 " (cutoff:3.500A) Processing helix chain 'o' and resid 101 through 122 Processing helix chain 'o' and resid 130 through 135 Processing helix chain 'o' and resid 145 through 147 No H-bonds generated for 'chain 'o' and resid 145 through 147' Processing helix chain 'o' and resid 148 through 164 Processing helix chain 'o' and resid 174 through 183 Processing helix chain 'o' and resid 191 through 197 Processing helix chain 'p' and resid 5 through 9 Processing helix chain 'p' and resid 12 through 31 Processing helix chain 'p' and resid 32 through 36 Processing helix chain 'p' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL p 92 " --> pdb=" O ASP p 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU p 93 " --> pdb=" O ILE p 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG p 94 " --> pdb=" O ASP p 90 " (cutoff:3.500A) Processing helix chain 'p' and resid 101 through 122 Processing helix chain 'p' and resid 130 through 135 Processing helix chain 'p' and resid 145 through 147 No H-bonds generated for 'chain 'p' and resid 145 through 147' Processing helix chain 'p' and resid 148 through 164 Processing helix chain 'p' and resid 174 through 183 Processing helix chain 'p' and resid 191 through 197 Processing helix chain 'q' and resid 5 through 9 Processing helix chain 'q' and resid 12 through 31 Processing helix chain 'q' and resid 32 through 36 Processing helix chain 'q' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL q 92 " --> pdb=" O ASP q 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU q 93 " --> pdb=" O ILE q 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG q 94 " --> pdb=" O ASP q 90 " (cutoff:3.500A) Processing helix chain 'q' and resid 101 through 122 Processing helix chain 'q' and resid 130 through 135 Processing helix chain 'q' and resid 145 through 147 No H-bonds generated for 'chain 'q' and resid 145 through 147' Processing helix chain 'q' and resid 148 through 164 Processing helix chain 'q' and resid 174 through 183 Processing helix chain 'q' and resid 191 through 197 Processing helix chain 'r' and resid 5 through 9 Processing helix chain 'r' and resid 12 through 31 Processing helix chain 'r' and resid 32 through 36 Processing helix chain 'r' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL r 92 " --> pdb=" O ASP r 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU r 93 " --> pdb=" O ILE r 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG r 94 " --> pdb=" O ASP r 90 " (cutoff:3.500A) Processing helix chain 'r' and resid 101 through 122 Processing helix chain 'r' and resid 130 through 135 Processing helix chain 'r' and resid 145 through 147 No H-bonds generated for 'chain 'r' and resid 145 through 147' Processing helix chain 'r' and resid 148 through 164 Processing helix chain 'r' and resid 174 through 183 Processing helix chain 'r' and resid 191 through 197 Processing helix chain 's' and resid 5 through 9 Processing helix chain 's' and resid 12 through 31 Processing helix chain 's' and resid 32 through 36 Processing helix chain 's' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL s 92 " --> pdb=" O ASP s 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU s 93 " --> pdb=" O ILE s 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG s 94 " --> pdb=" O ASP s 90 " (cutoff:3.500A) Processing helix chain 's' and resid 101 through 122 Processing helix chain 's' and resid 130 through 135 Processing helix chain 's' and resid 145 through 147 No H-bonds generated for 'chain 's' and resid 145 through 147' Processing helix chain 's' and resid 148 through 164 Processing helix chain 's' and resid 174 through 183 Processing helix chain 's' and resid 191 through 197 Processing helix chain 't' and resid 5 through 9 Processing helix chain 't' and resid 12 through 31 Processing helix chain 't' and resid 32 through 36 Processing helix chain 't' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL t 92 " --> pdb=" O ASP t 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU t 93 " --> pdb=" O ILE t 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG t 94 " --> pdb=" O ASP t 90 " (cutoff:3.500A) Processing helix chain 't' and resid 101 through 122 Processing helix chain 't' and resid 130 through 135 Processing helix chain 't' and resid 145 through 147 No H-bonds generated for 'chain 't' and resid 145 through 147' Processing helix chain 't' and resid 148 through 164 Processing helix chain 't' and resid 174 through 183 Processing helix chain 't' and resid 191 through 197 Processing helix chain 'u' and resid 5 through 9 Processing helix chain 'u' and resid 12 through 31 Processing helix chain 'u' and resid 32 through 36 Processing helix chain 'u' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL u 92 " --> pdb=" O ASP u 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU u 93 " --> pdb=" O ILE u 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG u 94 " --> pdb=" O ASP u 90 " (cutoff:3.500A) Processing helix chain 'u' and resid 101 through 122 Processing helix chain 'u' and resid 130 through 135 Processing helix chain 'u' and resid 145 through 147 No H-bonds generated for 'chain 'u' and resid 145 through 147' Processing helix chain 'u' and resid 148 through 164 Processing helix chain 'u' and resid 174 through 183 Processing helix chain 'u' and resid 191 through 197 Processing helix chain 'v' and resid 5 through 9 Processing helix chain 'v' and resid 12 through 31 Processing helix chain 'v' and resid 32 through 36 Processing helix chain 'v' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL v 92 " --> pdb=" O ASP v 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU v 93 " --> pdb=" O ILE v 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG v 94 " --> pdb=" O ASP v 90 " (cutoff:3.500A) Processing helix chain 'v' and resid 101 through 122 Processing helix chain 'v' and resid 130 through 135 Processing helix chain 'v' and resid 145 through 147 No H-bonds generated for 'chain 'v' and resid 145 through 147' Processing helix chain 'v' and resid 148 through 164 Processing helix chain 'v' and resid 174 through 183 Processing helix chain 'v' and resid 191 through 197 Processing helix chain 'w' and resid 5 through 9 Processing helix chain 'w' and resid 12 through 31 Processing helix chain 'w' and resid 32 through 36 Processing helix chain 'w' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL w 92 " --> pdb=" O ASP w 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU w 93 " --> pdb=" O ILE w 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG w 94 " --> pdb=" O ASP w 90 " (cutoff:3.500A) Processing helix chain 'w' and resid 101 through 122 Processing helix chain 'w' and resid 130 through 135 Processing helix chain 'w' and resid 145 through 147 No H-bonds generated for 'chain 'w' and resid 145 through 147' Processing helix chain 'w' and resid 148 through 164 Processing helix chain 'w' and resid 174 through 183 Processing helix chain 'w' and resid 191 through 197 Processing helix chain 'x' and resid 5 through 9 Processing helix chain 'x' and resid 12 through 31 Processing helix chain 'x' and resid 32 through 36 Processing helix chain 'x' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL x 92 " --> pdb=" O ASP x 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU x 93 " --> pdb=" O ILE x 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG x 94 " --> pdb=" O ASP x 90 " (cutoff:3.500A) Processing helix chain 'x' and resid 101 through 122 Processing helix chain 'x' and resid 130 through 135 Processing helix chain 'x' and resid 145 through 147 No H-bonds generated for 'chain 'x' and resid 145 through 147' Processing helix chain 'x' and resid 148 through 164 Processing helix chain 'x' and resid 174 through 183 Processing helix chain 'x' and resid 191 through 197 Processing sheet with id= 1, first strand: chain 'A' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP A 38 " --> pdb=" O LEU A 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU A 226 " --> pdb=" O ASP A 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER A 40 " --> pdb=" O LEU A 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR A 228 " --> pdb=" O SER A 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU A 226 " --> pdb=" O LEU A 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU A 253 " --> pdb=" O LEU A 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR A 228 " --> pdb=" O THR A 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR A 251 " --> pdb=" O THR A 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL A 230 " --> pdb=" O THR A 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR A 249 " --> pdb=" O VAL A 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE A 232 " --> pdb=" O GLU A 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU A 247 " --> pdb=" O ILE A 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR A 234 " --> pdb=" O TYR A 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR A 245 " --> pdb=" O TYR A 234 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR A 52 " --> pdb=" O LYS A 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS A 73 " --> pdb=" O THR A 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS A 54 " --> pdb=" O ASP A 71 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU A 140 " --> pdb=" O THR A 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE A 204 " --> pdb=" O TYR A 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL A 171 " --> pdb=" O ILE A 204 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'A' and resid 185 through 186 Processing sheet with id= 5, first strand: chain 'B' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP B 38 " --> pdb=" O LEU B 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU B 226 " --> pdb=" O ASP B 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER B 40 " --> pdb=" O LEU B 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR B 228 " --> pdb=" O SER B 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU B 226 " --> pdb=" O LEU B 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU B 253 " --> pdb=" O LEU B 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR B 228 " --> pdb=" O THR B 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR B 251 " --> pdb=" O THR B 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL B 230 " --> pdb=" O THR B 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR B 249 " --> pdb=" O VAL B 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE B 232 " --> pdb=" O GLU B 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU B 247 " --> pdb=" O ILE B 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR B 234 " --> pdb=" O TYR B 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR B 245 " --> pdb=" O TYR B 234 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'B' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR B 52 " --> pdb=" O LYS B 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS B 73 " --> pdb=" O THR B 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS B 54 " --> pdb=" O ASP B 71 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'B' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU B 140 " --> pdb=" O THR B 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE B 204 " --> pdb=" O TYR B 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL B 171 " --> pdb=" O ILE B 204 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'B' and resid 185 through 186 Processing sheet with id= 9, first strand: chain 'C' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP C 38 " --> pdb=" O LEU C 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU C 226 " --> pdb=" O ASP C 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER C 40 " --> pdb=" O LEU C 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR C 228 " --> pdb=" O SER C 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU C 226 " --> pdb=" O LEU C 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU C 253 " --> pdb=" O LEU C 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR C 228 " --> pdb=" O THR C 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR C 251 " --> pdb=" O THR C 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL C 230 " --> pdb=" O THR C 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR C 249 " --> pdb=" O VAL C 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE C 232 " --> pdb=" O GLU C 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU C 247 " --> pdb=" O ILE C 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR C 234 " --> pdb=" O TYR C 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR C 245 " --> pdb=" O TYR C 234 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'C' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR C 52 " --> pdb=" O LYS C 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS C 73 " --> pdb=" O THR C 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS C 54 " --> pdb=" O ASP C 71 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'C' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU C 140 " --> pdb=" O THR C 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE C 204 " --> pdb=" O TYR C 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL C 171 " --> pdb=" O ILE C 204 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'C' and resid 185 through 186 Processing sheet with id= 13, first strand: chain 'D' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP D 38 " --> pdb=" O LEU D 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU D 226 " --> pdb=" O ASP D 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER D 40 " --> pdb=" O LEU D 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR D 228 " --> pdb=" O SER D 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU D 226 " --> pdb=" O LEU D 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU D 253 " --> pdb=" O LEU D 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR D 228 " --> pdb=" O THR D 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR D 251 " --> pdb=" O THR D 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL D 230 " --> pdb=" O THR D 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR D 249 " --> pdb=" O VAL D 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE D 232 " --> pdb=" O GLU D 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU D 247 " --> pdb=" O ILE D 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR D 234 " --> pdb=" O TYR D 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR D 245 " --> pdb=" O TYR D 234 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'D' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR D 52 " --> pdb=" O LYS D 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS D 73 " --> pdb=" O THR D 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS D 54 " --> pdb=" O ASP D 71 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'D' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU D 140 " --> pdb=" O THR D 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE D 204 " --> pdb=" O TYR D 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL D 171 " --> pdb=" O ILE D 204 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'D' and resid 185 through 186 Processing sheet with id= 17, first strand: chain 'E' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP E 38 " --> pdb=" O LEU E 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU E 226 " --> pdb=" O ASP E 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER E 40 " --> pdb=" O LEU E 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR E 228 " --> pdb=" O SER E 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU E 226 " --> pdb=" O LEU E 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU E 253 " --> pdb=" O LEU E 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR E 228 " --> pdb=" O THR E 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR E 251 " --> pdb=" O THR E 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL E 230 " --> pdb=" O THR E 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR E 249 " --> pdb=" O VAL E 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE E 232 " --> pdb=" O GLU E 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU E 247 " --> pdb=" O ILE E 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR E 234 " --> pdb=" O TYR E 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR E 245 " --> pdb=" O TYR E 234 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'E' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR E 52 " --> pdb=" O LYS E 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS E 73 " --> pdb=" O THR E 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS E 54 " --> pdb=" O ASP E 71 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'E' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU E 140 " --> pdb=" O THR E 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE E 204 " --> pdb=" O TYR E 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL E 171 " --> pdb=" O ILE E 204 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'E' and resid 185 through 186 Processing sheet with id= 21, first strand: chain 'F' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP F 38 " --> pdb=" O LEU F 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU F 226 " --> pdb=" O ASP F 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER F 40 " --> pdb=" O LEU F 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR F 228 " --> pdb=" O SER F 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU F 226 " --> pdb=" O LEU F 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU F 253 " --> pdb=" O LEU F 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR F 228 " --> pdb=" O THR F 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR F 251 " --> pdb=" O THR F 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL F 230 " --> pdb=" O THR F 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR F 249 " --> pdb=" O VAL F 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE F 232 " --> pdb=" O GLU F 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU F 247 " --> pdb=" O ILE F 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR F 234 " --> pdb=" O TYR F 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR F 245 " --> pdb=" O TYR F 234 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'F' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR F 52 " --> pdb=" O LYS F 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS F 73 " --> pdb=" O THR F 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS F 54 " --> pdb=" O ASP F 71 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'F' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU F 140 " --> pdb=" O THR F 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE F 204 " --> pdb=" O TYR F 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL F 171 " --> pdb=" O ILE F 204 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'F' and resid 185 through 186 Processing sheet with id= 25, first strand: chain 'G' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP G 38 " --> pdb=" O LEU G 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU G 226 " --> pdb=" O ASP G 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER G 40 " --> pdb=" O LEU G 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR G 228 " --> pdb=" O SER G 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU G 226 " --> pdb=" O LEU G 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU G 253 " --> pdb=" O LEU G 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR G 228 " --> pdb=" O THR G 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR G 251 " --> pdb=" O THR G 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL G 230 " --> pdb=" O THR G 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR G 249 " --> pdb=" O VAL G 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE G 232 " --> pdb=" O GLU G 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU G 247 " --> pdb=" O ILE G 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR G 234 " --> pdb=" O TYR G 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR G 245 " --> pdb=" O TYR G 234 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'G' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR G 52 " --> pdb=" O LYS G 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS G 73 " --> pdb=" O THR G 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS G 54 " --> pdb=" O ASP G 71 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'G' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU G 140 " --> pdb=" O THR G 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE G 204 " --> pdb=" O TYR G 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL G 171 " --> pdb=" O ILE G 204 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'G' and resid 185 through 186 Processing sheet with id= 29, first strand: chain 'H' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP H 38 " --> pdb=" O LEU H 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU H 226 " --> pdb=" O ASP H 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER H 40 " --> pdb=" O LEU H 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR H 228 " --> pdb=" O SER H 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU H 226 " --> pdb=" O LEU H 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU H 253 " --> pdb=" O LEU H 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR H 228 " --> pdb=" O THR H 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR H 251 " --> pdb=" O THR H 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL H 230 " --> pdb=" O THR H 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR H 249 " --> pdb=" O VAL H 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE H 232 " --> pdb=" O GLU H 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU H 247 " --> pdb=" O ILE H 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR H 234 " --> pdb=" O TYR H 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR H 245 " --> pdb=" O TYR H 234 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'H' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR H 52 " --> pdb=" O LYS H 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS H 73 " --> pdb=" O THR H 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS H 54 " --> pdb=" O ASP H 71 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'H' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU H 140 " --> pdb=" O THR H 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE H 204 " --> pdb=" O TYR H 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL H 171 " --> pdb=" O ILE H 204 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'H' and resid 185 through 186 Processing sheet with id= 33, first strand: chain 'I' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP I 38 " --> pdb=" O LEU I 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU I 226 " --> pdb=" O ASP I 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER I 40 " --> pdb=" O LEU I 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR I 228 " --> pdb=" O SER I 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU I 226 " --> pdb=" O LEU I 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU I 253 " --> pdb=" O LEU I 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR I 228 " --> pdb=" O THR I 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR I 251 " --> pdb=" O THR I 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL I 230 " --> pdb=" O THR I 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR I 249 " --> pdb=" O VAL I 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE I 232 " --> pdb=" O GLU I 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU I 247 " --> pdb=" O ILE I 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR I 234 " --> pdb=" O TYR I 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR I 245 " --> pdb=" O TYR I 234 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'I' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR I 52 " --> pdb=" O LYS I 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS I 73 " --> pdb=" O THR I 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS I 54 " --> pdb=" O ASP I 71 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'I' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU I 140 " --> pdb=" O THR I 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE I 204 " --> pdb=" O TYR I 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL I 171 " --> pdb=" O ILE I 204 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'I' and resid 185 through 186 Processing sheet with id= 37, first strand: chain 'J' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP J 38 " --> pdb=" O LEU J 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU J 226 " --> pdb=" O ASP J 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER J 40 " --> pdb=" O LEU J 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR J 228 " --> pdb=" O SER J 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU J 226 " --> pdb=" O LEU J 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU J 253 " --> pdb=" O LEU J 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR J 228 " --> pdb=" O THR J 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR J 251 " --> pdb=" O THR J 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL J 230 " --> pdb=" O THR J 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR J 249 " --> pdb=" O VAL J 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE J 232 " --> pdb=" O GLU J 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU J 247 " --> pdb=" O ILE J 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR J 234 " --> pdb=" O TYR J 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR J 245 " --> pdb=" O TYR J 234 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'J' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR J 52 " --> pdb=" O LYS J 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS J 73 " --> pdb=" O THR J 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS J 54 " --> pdb=" O ASP J 71 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'J' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU J 140 " --> pdb=" O THR J 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE J 204 " --> pdb=" O TYR J 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL J 171 " --> pdb=" O ILE J 204 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'J' and resid 185 through 186 Processing sheet with id= 41, first strand: chain 'K' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP K 38 " --> pdb=" O LEU K 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU K 226 " --> pdb=" O ASP K 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER K 40 " --> pdb=" O LEU K 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR K 228 " --> pdb=" O SER K 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU K 226 " --> pdb=" O LEU K 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU K 253 " --> pdb=" O LEU K 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR K 228 " --> pdb=" O THR K 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR K 251 " --> pdb=" O THR K 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL K 230 " --> pdb=" O THR K 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR K 249 " --> pdb=" O VAL K 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE K 232 " --> pdb=" O GLU K 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU K 247 " --> pdb=" O ILE K 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR K 234 " --> pdb=" O TYR K 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR K 245 " --> pdb=" O TYR K 234 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'K' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR K 52 " --> pdb=" O LYS K 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS K 73 " --> pdb=" O THR K 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS K 54 " --> pdb=" O ASP K 71 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'K' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU K 140 " --> pdb=" O THR K 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE K 204 " --> pdb=" O TYR K 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL K 171 " --> pdb=" O ILE K 204 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'K' and resid 185 through 186 Processing sheet with id= 45, first strand: chain 'L' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP L 38 " --> pdb=" O LEU L 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU L 226 " --> pdb=" O ASP L 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER L 40 " --> pdb=" O LEU L 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR L 228 " --> pdb=" O SER L 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU L 226 " --> pdb=" O LEU L 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU L 253 " --> pdb=" O LEU L 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR L 228 " --> pdb=" O THR L 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR L 251 " --> pdb=" O THR L 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL L 230 " --> pdb=" O THR L 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR L 249 " --> pdb=" O VAL L 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE L 232 " --> pdb=" O GLU L 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU L 247 " --> pdb=" O ILE L 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR L 234 " --> pdb=" O TYR L 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR L 245 " --> pdb=" O TYR L 234 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'L' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR L 52 " --> pdb=" O LYS L 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS L 73 " --> pdb=" O THR L 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS L 54 " --> pdb=" O ASP L 71 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'L' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU L 140 " --> pdb=" O THR L 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE L 204 " --> pdb=" O TYR L 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL L 171 " --> pdb=" O ILE L 204 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'L' and resid 185 through 186 Processing sheet with id= 49, first strand: chain 'M' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP M 38 " --> pdb=" O LEU M 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU M 226 " --> pdb=" O ASP M 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER M 40 " --> pdb=" O LEU M 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR M 228 " --> pdb=" O SER M 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU M 226 " --> pdb=" O LEU M 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU M 253 " --> pdb=" O LEU M 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR M 228 " --> pdb=" O THR M 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR M 251 " --> pdb=" O THR M 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL M 230 " --> pdb=" O THR M 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR M 249 " --> pdb=" O VAL M 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE M 232 " --> pdb=" O GLU M 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU M 247 " --> pdb=" O ILE M 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR M 234 " --> pdb=" O TYR M 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR M 245 " --> pdb=" O TYR M 234 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'M' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR M 52 " --> pdb=" O LYS M 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS M 73 " --> pdb=" O THR M 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS M 54 " --> pdb=" O ASP M 71 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'M' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU M 140 " --> pdb=" O THR M 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE M 204 " --> pdb=" O TYR M 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL M 171 " --> pdb=" O ILE M 204 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'M' and resid 185 through 186 Processing sheet with id= 53, first strand: chain 'N' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP N 38 " --> pdb=" O LEU N 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU N 226 " --> pdb=" O ASP N 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER N 40 " --> pdb=" O LEU N 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR N 228 " --> pdb=" O SER N 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU N 226 " --> pdb=" O LEU N 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU N 253 " --> pdb=" O LEU N 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR N 228 " --> pdb=" O THR N 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR N 251 " --> pdb=" O THR N 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL N 230 " --> pdb=" O THR N 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR N 249 " --> pdb=" O VAL N 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE N 232 " --> pdb=" O GLU N 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU N 247 " --> pdb=" O ILE N 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR N 234 " --> pdb=" O TYR N 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR N 245 " --> pdb=" O TYR N 234 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'N' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR N 52 " --> pdb=" O LYS N 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS N 73 " --> pdb=" O THR N 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS N 54 " --> pdb=" O ASP N 71 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'N' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU N 140 " --> pdb=" O THR N 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE N 204 " --> pdb=" O TYR N 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL N 171 " --> pdb=" O ILE N 204 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'N' and resid 185 through 186 Processing sheet with id= 57, first strand: chain 'O' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP O 38 " --> pdb=" O LEU O 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU O 226 " --> pdb=" O ASP O 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER O 40 " --> pdb=" O LEU O 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR O 228 " --> pdb=" O SER O 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU O 226 " --> pdb=" O LEU O 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU O 253 " --> pdb=" O LEU O 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR O 228 " --> pdb=" O THR O 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR O 251 " --> pdb=" O THR O 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL O 230 " --> pdb=" O THR O 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR O 249 " --> pdb=" O VAL O 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE O 232 " --> pdb=" O GLU O 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU O 247 " --> pdb=" O ILE O 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR O 234 " --> pdb=" O TYR O 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR O 245 " --> pdb=" O TYR O 234 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'O' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR O 52 " --> pdb=" O LYS O 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS O 73 " --> pdb=" O THR O 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS O 54 " --> pdb=" O ASP O 71 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'O' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU O 140 " --> pdb=" O THR O 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE O 204 " --> pdb=" O TYR O 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL O 171 " --> pdb=" O ILE O 204 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'O' and resid 185 through 186 Processing sheet with id= 61, first strand: chain 'P' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP P 38 " --> pdb=" O LEU P 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU P 226 " --> pdb=" O ASP P 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER P 40 " --> pdb=" O LEU P 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR P 228 " --> pdb=" O SER P 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU P 226 " --> pdb=" O LEU P 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU P 253 " --> pdb=" O LEU P 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR P 228 " --> pdb=" O THR P 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR P 251 " --> pdb=" O THR P 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL P 230 " --> pdb=" O THR P 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR P 249 " --> pdb=" O VAL P 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE P 232 " --> pdb=" O GLU P 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU P 247 " --> pdb=" O ILE P 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR P 234 " --> pdb=" O TYR P 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR P 245 " --> pdb=" O TYR P 234 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'P' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR P 52 " --> pdb=" O LYS P 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS P 73 " --> pdb=" O THR P 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS P 54 " --> pdb=" O ASP P 71 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'P' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU P 140 " --> pdb=" O THR P 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE P 204 " --> pdb=" O TYR P 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL P 171 " --> pdb=" O ILE P 204 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'P' and resid 185 through 186 Processing sheet with id= 65, first strand: chain 'Q' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP Q 38 " --> pdb=" O LEU Q 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU Q 226 " --> pdb=" O ASP Q 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER Q 40 " --> pdb=" O LEU Q 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR Q 228 " --> pdb=" O SER Q 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU Q 226 " --> pdb=" O LEU Q 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU Q 253 " --> pdb=" O LEU Q 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR Q 228 " --> pdb=" O THR Q 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR Q 251 " --> pdb=" O THR Q 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL Q 230 " --> pdb=" O THR Q 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR Q 249 " --> pdb=" O VAL Q 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE Q 232 " --> pdb=" O GLU Q 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU Q 247 " --> pdb=" O ILE Q 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR Q 234 " --> pdb=" O TYR Q 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR Q 245 " --> pdb=" O TYR Q 234 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'Q' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR Q 52 " --> pdb=" O LYS Q 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS Q 73 " --> pdb=" O THR Q 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS Q 54 " --> pdb=" O ASP Q 71 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'Q' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU Q 140 " --> pdb=" O THR Q 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE Q 204 " --> pdb=" O TYR Q 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL Q 171 " --> pdb=" O ILE Q 204 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'Q' and resid 185 through 186 Processing sheet with id= 69, first strand: chain 'R' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP R 38 " --> pdb=" O LEU R 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU R 226 " --> pdb=" O ASP R 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER R 40 " --> pdb=" O LEU R 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR R 228 " --> pdb=" O SER R 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU R 226 " --> pdb=" O LEU R 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU R 253 " --> pdb=" O LEU R 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR R 228 " --> pdb=" O THR R 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR R 251 " --> pdb=" O THR R 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL R 230 " --> pdb=" O THR R 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR R 249 " --> pdb=" O VAL R 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE R 232 " --> pdb=" O GLU R 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU R 247 " --> pdb=" O ILE R 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR R 234 " --> pdb=" O TYR R 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR R 245 " --> pdb=" O TYR R 234 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'R' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR R 52 " --> pdb=" O LYS R 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS R 73 " --> pdb=" O THR R 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS R 54 " --> pdb=" O ASP R 71 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'R' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU R 140 " --> pdb=" O THR R 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE R 204 " --> pdb=" O TYR R 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL R 171 " --> pdb=" O ILE R 204 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'R' and resid 185 through 186 Processing sheet with id= 73, first strand: chain 'S' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP S 38 " --> pdb=" O LEU S 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU S 226 " --> pdb=" O ASP S 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER S 40 " --> pdb=" O LEU S 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR S 228 " --> pdb=" O SER S 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU S 226 " --> pdb=" O LEU S 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU S 253 " --> pdb=" O LEU S 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR S 228 " --> pdb=" O THR S 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR S 251 " --> pdb=" O THR S 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL S 230 " --> pdb=" O THR S 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR S 249 " --> pdb=" O VAL S 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE S 232 " --> pdb=" O GLU S 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU S 247 " --> pdb=" O ILE S 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR S 234 " --> pdb=" O TYR S 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR S 245 " --> pdb=" O TYR S 234 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'S' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR S 52 " --> pdb=" O LYS S 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS S 73 " --> pdb=" O THR S 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS S 54 " --> pdb=" O ASP S 71 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'S' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU S 140 " --> pdb=" O THR S 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE S 204 " --> pdb=" O TYR S 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL S 171 " --> pdb=" O ILE S 204 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'S' and resid 185 through 186 Processing sheet with id= 77, first strand: chain 'T' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP T 38 " --> pdb=" O LEU T 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU T 226 " --> pdb=" O ASP T 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER T 40 " --> pdb=" O LEU T 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR T 228 " --> pdb=" O SER T 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU T 226 " --> pdb=" O LEU T 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU T 253 " --> pdb=" O LEU T 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR T 228 " --> pdb=" O THR T 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR T 251 " --> pdb=" O THR T 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL T 230 " --> pdb=" O THR T 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR T 249 " --> pdb=" O VAL T 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE T 232 " --> pdb=" O GLU T 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU T 247 " --> pdb=" O ILE T 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR T 234 " --> pdb=" O TYR T 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR T 245 " --> pdb=" O TYR T 234 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'T' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR T 52 " --> pdb=" O LYS T 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS T 73 " --> pdb=" O THR T 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS T 54 " --> pdb=" O ASP T 71 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'T' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU T 140 " --> pdb=" O THR T 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE T 204 " --> pdb=" O TYR T 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL T 171 " --> pdb=" O ILE T 204 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'T' and resid 185 through 186 Processing sheet with id= 81, first strand: chain 'U' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP U 38 " --> pdb=" O LEU U 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU U 226 " --> pdb=" O ASP U 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER U 40 " --> pdb=" O LEU U 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR U 228 " --> pdb=" O SER U 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU U 226 " --> pdb=" O LEU U 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU U 253 " --> pdb=" O LEU U 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR U 228 " --> pdb=" O THR U 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR U 251 " --> pdb=" O THR U 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL U 230 " --> pdb=" O THR U 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR U 249 " --> pdb=" O VAL U 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE U 232 " --> pdb=" O GLU U 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU U 247 " --> pdb=" O ILE U 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR U 234 " --> pdb=" O TYR U 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR U 245 " --> pdb=" O TYR U 234 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'U' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR U 52 " --> pdb=" O LYS U 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS U 73 " --> pdb=" O THR U 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS U 54 " --> pdb=" O ASP U 71 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'U' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU U 140 " --> pdb=" O THR U 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE U 204 " --> pdb=" O TYR U 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL U 171 " --> pdb=" O ILE U 204 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'U' and resid 185 through 186 Processing sheet with id= 85, first strand: chain 'V' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP V 38 " --> pdb=" O LEU V 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU V 226 " --> pdb=" O ASP V 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER V 40 " --> pdb=" O LEU V 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR V 228 " --> pdb=" O SER V 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU V 226 " --> pdb=" O LEU V 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU V 253 " --> pdb=" O LEU V 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR V 228 " --> pdb=" O THR V 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR V 251 " --> pdb=" O THR V 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL V 230 " --> pdb=" O THR V 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR V 249 " --> pdb=" O VAL V 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE V 232 " --> pdb=" O GLU V 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU V 247 " --> pdb=" O ILE V 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR V 234 " --> pdb=" O TYR V 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR V 245 " --> pdb=" O TYR V 234 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'V' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR V 52 " --> pdb=" O LYS V 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS V 73 " --> pdb=" O THR V 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS V 54 " --> pdb=" O ASP V 71 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'V' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU V 140 " --> pdb=" O THR V 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE V 204 " --> pdb=" O TYR V 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL V 171 " --> pdb=" O ILE V 204 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'V' and resid 185 through 186 Processing sheet with id= 89, first strand: chain 'W' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP W 38 " --> pdb=" O LEU W 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU W 226 " --> pdb=" O ASP W 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER W 40 " --> pdb=" O LEU W 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR W 228 " --> pdb=" O SER W 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU W 226 " --> pdb=" O LEU W 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU W 253 " --> pdb=" O LEU W 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR W 228 " --> pdb=" O THR W 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR W 251 " --> pdb=" O THR W 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL W 230 " --> pdb=" O THR W 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR W 249 " --> pdb=" O VAL W 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE W 232 " --> pdb=" O GLU W 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU W 247 " --> pdb=" O ILE W 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR W 234 " --> pdb=" O TYR W 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR W 245 " --> pdb=" O TYR W 234 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'W' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR W 52 " --> pdb=" O LYS W 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS W 73 " --> pdb=" O THR W 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS W 54 " --> pdb=" O ASP W 71 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'W' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU W 140 " --> pdb=" O THR W 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE W 204 " --> pdb=" O TYR W 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL W 171 " --> pdb=" O ILE W 204 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'W' and resid 185 through 186 Processing sheet with id= 93, first strand: chain 'X' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP X 38 " --> pdb=" O LEU X 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU X 226 " --> pdb=" O ASP X 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER X 40 " --> pdb=" O LEU X 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR X 228 " --> pdb=" O SER X 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU X 226 " --> pdb=" O LEU X 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU X 253 " --> pdb=" O LEU X 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR X 228 " --> pdb=" O THR X 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR X 251 " --> pdb=" O THR X 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL X 230 " --> pdb=" O THR X 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR X 249 " --> pdb=" O VAL X 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE X 232 " --> pdb=" O GLU X 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU X 247 " --> pdb=" O ILE X 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR X 234 " --> pdb=" O TYR X 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR X 245 " --> pdb=" O TYR X 234 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'X' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR X 52 " --> pdb=" O LYS X 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS X 73 " --> pdb=" O THR X 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS X 54 " --> pdb=" O ASP X 71 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'X' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU X 140 " --> pdb=" O THR X 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE X 204 " --> pdb=" O TYR X 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL X 171 " --> pdb=" O ILE X 204 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'X' and resid 185 through 186 Processing sheet with id= 97, first strand: chain 'Y' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP Y 38 " --> pdb=" O LEU Y 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU Y 226 " --> pdb=" O ASP Y 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER Y 40 " --> pdb=" O LEU Y 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR Y 228 " --> pdb=" O SER Y 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU Y 226 " --> pdb=" O LEU Y 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU Y 253 " --> pdb=" O LEU Y 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR Y 228 " --> pdb=" O THR Y 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR Y 251 " --> pdb=" O THR Y 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL Y 230 " --> pdb=" O THR Y 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR Y 249 " --> pdb=" O VAL Y 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE Y 232 " --> pdb=" O GLU Y 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU Y 247 " --> pdb=" O ILE Y 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR Y 234 " --> pdb=" O TYR Y 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR Y 245 " --> pdb=" O TYR Y 234 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'Y' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR Y 52 " --> pdb=" O LYS Y 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS Y 73 " --> pdb=" O THR Y 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS Y 54 " --> pdb=" O ASP Y 71 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'Y' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU Y 140 " --> pdb=" O THR Y 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE Y 204 " --> pdb=" O TYR Y 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL Y 171 " --> pdb=" O ILE Y 204 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'Y' and resid 185 through 186 Processing sheet with id=101, first strand: chain 'Z' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP Z 38 " --> pdb=" O LEU Z 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU Z 226 " --> pdb=" O ASP Z 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER Z 40 " --> pdb=" O LEU Z 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR Z 228 " --> pdb=" O SER Z 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU Z 226 " --> pdb=" O LEU Z 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU Z 253 " --> pdb=" O LEU Z 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR Z 228 " --> pdb=" O THR Z 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR Z 251 " --> pdb=" O THR Z 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL Z 230 " --> pdb=" O THR Z 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR Z 249 " --> pdb=" O VAL Z 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE Z 232 " --> pdb=" O GLU Z 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU Z 247 " --> pdb=" O ILE Z 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR Z 234 " --> pdb=" O TYR Z 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR Z 245 " --> pdb=" O TYR Z 234 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'Z' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR Z 52 " --> pdb=" O LYS Z 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS Z 73 " --> pdb=" O THR Z 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS Z 54 " --> pdb=" O ASP Z 71 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'Z' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU Z 140 " --> pdb=" O THR Z 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE Z 204 " --> pdb=" O TYR Z 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL Z 171 " --> pdb=" O ILE Z 204 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'Z' and resid 185 through 186 Processing sheet with id=105, first strand: chain '0' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 0 38 " --> pdb=" O LEU 0 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 0 226 " --> pdb=" O ASP 0 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 0 40 " --> pdb=" O LEU 0 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 0 228 " --> pdb=" O SER 0 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 0 226 " --> pdb=" O LEU 0 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 0 253 " --> pdb=" O LEU 0 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR 0 228 " --> pdb=" O THR 0 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 0 251 " --> pdb=" O THR 0 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 0 230 " --> pdb=" O THR 0 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR 0 249 " --> pdb=" O VAL 0 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 0 232 " --> pdb=" O GLU 0 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 0 247 " --> pdb=" O ILE 0 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 0 234 " --> pdb=" O TYR 0 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 0 245 " --> pdb=" O TYR 0 234 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain '0' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR 0 52 " --> pdb=" O LYS 0 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 0 73 " --> pdb=" O THR 0 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 0 54 " --> pdb=" O ASP 0 71 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain '0' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 0 140 " --> pdb=" O THR 0 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE 0 204 " --> pdb=" O TYR 0 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 0 171 " --> pdb=" O ILE 0 204 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain '0' and resid 185 through 186 Processing sheet with id=109, first strand: chain '1' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP 1 38 " --> pdb=" O LEU 1 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU 1 226 " --> pdb=" O ASP 1 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER 1 40 " --> pdb=" O LEU 1 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 1 228 " --> pdb=" O SER 1 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 1 226 " --> pdb=" O LEU 1 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 1 253 " --> pdb=" O LEU 1 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 1 228 " --> pdb=" O THR 1 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR 1 251 " --> pdb=" O THR 1 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 1 230 " --> pdb=" O THR 1 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR 1 249 " --> pdb=" O VAL 1 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE 1 232 " --> pdb=" O GLU 1 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 1 247 " --> pdb=" O ILE 1 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR 1 234 " --> pdb=" O TYR 1 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 1 245 " --> pdb=" O TYR 1 234 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain '1' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR 1 52 " --> pdb=" O LYS 1 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 1 73 " --> pdb=" O THR 1 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS 1 54 " --> pdb=" O ASP 1 71 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain '1' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 1 140 " --> pdb=" O THR 1 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 1 204 " --> pdb=" O TYR 1 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 1 171 " --> pdb=" O ILE 1 204 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain '1' and resid 185 through 186 Processing sheet with id=113, first strand: chain '2' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 2 38 " --> pdb=" O LEU 2 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU 2 226 " --> pdb=" O ASP 2 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 2 40 " --> pdb=" O LEU 2 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR 2 228 " --> pdb=" O SER 2 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 2 226 " --> pdb=" O LEU 2 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 2 253 " --> pdb=" O LEU 2 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 2 228 " --> pdb=" O THR 2 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 2 251 " --> pdb=" O THR 2 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL 2 230 " --> pdb=" O THR 2 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR 2 249 " --> pdb=" O VAL 2 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 2 232 " --> pdb=" O GLU 2 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 2 247 " --> pdb=" O ILE 2 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 2 234 " --> pdb=" O TYR 2 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 2 245 " --> pdb=" O TYR 2 234 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain '2' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 2 52 " --> pdb=" O LYS 2 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 2 73 " --> pdb=" O THR 2 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 2 54 " --> pdb=" O ASP 2 71 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain '2' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 2 140 " --> pdb=" O THR 2 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 2 204 " --> pdb=" O TYR 2 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 2 171 " --> pdb=" O ILE 2 204 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain '2' and resid 185 through 186 Processing sheet with id=117, first strand: chain '3' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 3 38 " --> pdb=" O LEU 3 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 3 226 " --> pdb=" O ASP 3 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 3 40 " --> pdb=" O LEU 3 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 3 228 " --> pdb=" O SER 3 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 3 226 " --> pdb=" O LEU 3 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 3 253 " --> pdb=" O LEU 3 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 3 228 " --> pdb=" O THR 3 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 3 251 " --> pdb=" O THR 3 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL 3 230 " --> pdb=" O THR 3 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR 3 249 " --> pdb=" O VAL 3 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE 3 232 " --> pdb=" O GLU 3 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 3 247 " --> pdb=" O ILE 3 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 3 234 " --> pdb=" O TYR 3 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 3 245 " --> pdb=" O TYR 3 234 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain '3' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 3 52 " --> pdb=" O LYS 3 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 3 73 " --> pdb=" O THR 3 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 3 54 " --> pdb=" O ASP 3 71 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain '3' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 3 140 " --> pdb=" O THR 3 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 3 204 " --> pdb=" O TYR 3 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 3 171 " --> pdb=" O ILE 3 204 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain '3' and resid 185 through 186 Processing sheet with id=121, first strand: chain '4' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 4 38 " --> pdb=" O LEU 4 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 4 226 " --> pdb=" O ASP 4 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 4 40 " --> pdb=" O LEU 4 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 4 228 " --> pdb=" O SER 4 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 4 226 " --> pdb=" O LEU 4 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 4 253 " --> pdb=" O LEU 4 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 4 228 " --> pdb=" O THR 4 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 4 251 " --> pdb=" O THR 4 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 4 230 " --> pdb=" O THR 4 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR 4 249 " --> pdb=" O VAL 4 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 4 232 " --> pdb=" O GLU 4 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 4 247 " --> pdb=" O ILE 4 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 4 234 " --> pdb=" O TYR 4 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 4 245 " --> pdb=" O TYR 4 234 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain '4' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 4 52 " --> pdb=" O LYS 4 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 4 73 " --> pdb=" O THR 4 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 4 54 " --> pdb=" O ASP 4 71 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain '4' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 4 140 " --> pdb=" O THR 4 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 4 204 " --> pdb=" O TYR 4 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 4 171 " --> pdb=" O ILE 4 204 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain '4' and resid 185 through 186 Processing sheet with id=125, first strand: chain '5' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 5 38 " --> pdb=" O LEU 5 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 5 226 " --> pdb=" O ASP 5 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 5 40 " --> pdb=" O LEU 5 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 5 228 " --> pdb=" O SER 5 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 5 226 " --> pdb=" O LEU 5 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 5 253 " --> pdb=" O LEU 5 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR 5 228 " --> pdb=" O THR 5 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 5 251 " --> pdb=" O THR 5 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 5 230 " --> pdb=" O THR 5 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR 5 249 " --> pdb=" O VAL 5 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 5 232 " --> pdb=" O GLU 5 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 5 247 " --> pdb=" O ILE 5 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 5 234 " --> pdb=" O TYR 5 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 5 245 " --> pdb=" O TYR 5 234 " (cutoff:3.500A) Processing sheet with id=126, first strand: chain '5' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR 5 52 " --> pdb=" O LYS 5 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 5 73 " --> pdb=" O THR 5 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 5 54 " --> pdb=" O ASP 5 71 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain '5' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 5 140 " --> pdb=" O THR 5 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE 5 204 " --> pdb=" O TYR 5 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 5 171 " --> pdb=" O ILE 5 204 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain '5' and resid 185 through 186 Processing sheet with id=129, first strand: chain '6' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP 6 38 " --> pdb=" O LEU 6 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU 6 226 " --> pdb=" O ASP 6 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER 6 40 " --> pdb=" O LEU 6 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 6 228 " --> pdb=" O SER 6 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 6 226 " --> pdb=" O LEU 6 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 6 253 " --> pdb=" O LEU 6 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 6 228 " --> pdb=" O THR 6 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR 6 251 " --> pdb=" O THR 6 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 6 230 " --> pdb=" O THR 6 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR 6 249 " --> pdb=" O VAL 6 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE 6 232 " --> pdb=" O GLU 6 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 6 247 " --> pdb=" O ILE 6 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR 6 234 " --> pdb=" O TYR 6 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 6 245 " --> pdb=" O TYR 6 234 " (cutoff:3.500A) Processing sheet with id=130, first strand: chain '6' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR 6 52 " --> pdb=" O LYS 6 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 6 73 " --> pdb=" O THR 6 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS 6 54 " --> pdb=" O ASP 6 71 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain '6' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 6 140 " --> pdb=" O THR 6 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 6 204 " --> pdb=" O TYR 6 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 6 171 " --> pdb=" O ILE 6 204 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain '6' and resid 185 through 186 Processing sheet with id=133, first strand: chain '7' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 7 38 " --> pdb=" O LEU 7 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU 7 226 " --> pdb=" O ASP 7 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 7 40 " --> pdb=" O LEU 7 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR 7 228 " --> pdb=" O SER 7 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 7 226 " --> pdb=" O LEU 7 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 7 253 " --> pdb=" O LEU 7 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 7 228 " --> pdb=" O THR 7 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 7 251 " --> pdb=" O THR 7 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL 7 230 " --> pdb=" O THR 7 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR 7 249 " --> pdb=" O VAL 7 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 7 232 " --> pdb=" O GLU 7 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 7 247 " --> pdb=" O ILE 7 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 7 234 " --> pdb=" O TYR 7 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 7 245 " --> pdb=" O TYR 7 234 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain '7' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 7 52 " --> pdb=" O LYS 7 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 7 73 " --> pdb=" O THR 7 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 7 54 " --> pdb=" O ASP 7 71 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain '7' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 7 140 " --> pdb=" O THR 7 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 7 204 " --> pdb=" O TYR 7 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 7 171 " --> pdb=" O ILE 7 204 " (cutoff:3.500A) Processing sheet with id=136, first strand: chain '7' and resid 185 through 186 Processing sheet with id=137, first strand: chain '8' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 8 38 " --> pdb=" O LEU 8 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 8 226 " --> pdb=" O ASP 8 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 8 40 " --> pdb=" O LEU 8 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 8 228 " --> pdb=" O SER 8 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 8 226 " --> pdb=" O LEU 8 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 8 253 " --> pdb=" O LEU 8 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 8 228 " --> pdb=" O THR 8 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 8 251 " --> pdb=" O THR 8 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL 8 230 " --> pdb=" O THR 8 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR 8 249 " --> pdb=" O VAL 8 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE 8 232 " --> pdb=" O GLU 8 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 8 247 " --> pdb=" O ILE 8 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 8 234 " --> pdb=" O TYR 8 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 8 245 " --> pdb=" O TYR 8 234 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain '8' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 8 52 " --> pdb=" O LYS 8 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 8 73 " --> pdb=" O THR 8 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 8 54 " --> pdb=" O ASP 8 71 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain '8' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 8 140 " --> pdb=" O THR 8 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 8 204 " --> pdb=" O TYR 8 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 8 171 " --> pdb=" O ILE 8 204 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain '8' and resid 185 through 186 Processing sheet with id=141, first strand: chain '9' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 9 38 " --> pdb=" O LEU 9 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 9 226 " --> pdb=" O ASP 9 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 9 40 " --> pdb=" O LEU 9 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 9 228 " --> pdb=" O SER 9 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 9 226 " --> pdb=" O LEU 9 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 9 253 " --> pdb=" O LEU 9 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 9 228 " --> pdb=" O THR 9 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 9 251 " --> pdb=" O THR 9 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 9 230 " --> pdb=" O THR 9 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR 9 249 " --> pdb=" O VAL 9 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 9 232 " --> pdb=" O GLU 9 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 9 247 " --> pdb=" O ILE 9 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 9 234 " --> pdb=" O TYR 9 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 9 245 " --> pdb=" O TYR 9 234 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain '9' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 9 52 " --> pdb=" O LYS 9 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 9 73 " --> pdb=" O THR 9 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 9 54 " --> pdb=" O ASP 9 71 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain '9' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 9 140 " --> pdb=" O THR 9 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 9 204 " --> pdb=" O TYR 9 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 9 171 " --> pdb=" O ILE 9 204 " (cutoff:3.500A) Processing sheet with id=144, first strand: chain '9' and resid 185 through 186 Processing sheet with id=145, first strand: chain 'a' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP a 38 " --> pdb=" O LEU a 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU a 226 " --> pdb=" O ASP a 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER a 40 " --> pdb=" O LEU a 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR a 228 " --> pdb=" O SER a 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU a 226 " --> pdb=" O LEU a 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU a 253 " --> pdb=" O LEU a 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR a 228 " --> pdb=" O THR a 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR a 251 " --> pdb=" O THR a 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL a 230 " --> pdb=" O THR a 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR a 249 " --> pdb=" O VAL a 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE a 232 " --> pdb=" O GLU a 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU a 247 " --> pdb=" O ILE a 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR a 234 " --> pdb=" O TYR a 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR a 245 " --> pdb=" O TYR a 234 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'a' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR a 52 " --> pdb=" O LYS a 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS a 73 " --> pdb=" O THR a 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS a 54 " --> pdb=" O ASP a 71 " (cutoff:3.500A) Processing sheet with id=147, first strand: chain 'a' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU a 140 " --> pdb=" O THR a 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE a 204 " --> pdb=" O TYR a 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL a 171 " --> pdb=" O ILE a 204 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 'a' and resid 185 through 186 Processing sheet with id=149, first strand: chain 'b' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP b 38 " --> pdb=" O LEU b 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU b 226 " --> pdb=" O ASP b 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER b 40 " --> pdb=" O LEU b 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR b 228 " --> pdb=" O SER b 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU b 226 " --> pdb=" O LEU b 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU b 253 " --> pdb=" O LEU b 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR b 228 " --> pdb=" O THR b 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR b 251 " --> pdb=" O THR b 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL b 230 " --> pdb=" O THR b 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR b 249 " --> pdb=" O VAL b 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE b 232 " --> pdb=" O GLU b 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU b 247 " --> pdb=" O ILE b 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR b 234 " --> pdb=" O TYR b 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR b 245 " --> pdb=" O TYR b 234 " (cutoff:3.500A) Processing sheet with id=150, first strand: chain 'b' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR b 52 " --> pdb=" O LYS b 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS b 73 " --> pdb=" O THR b 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS b 54 " --> pdb=" O ASP b 71 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'b' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU b 140 " --> pdb=" O THR b 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE b 204 " --> pdb=" O TYR b 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL b 171 " --> pdb=" O ILE b 204 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'b' and resid 185 through 186 Processing sheet with id=153, first strand: chain 'c' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP c 38 " --> pdb=" O LEU c 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU c 226 " --> pdb=" O ASP c 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER c 40 " --> pdb=" O LEU c 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR c 228 " --> pdb=" O SER c 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU c 226 " --> pdb=" O LEU c 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU c 253 " --> pdb=" O LEU c 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR c 228 " --> pdb=" O THR c 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR c 251 " --> pdb=" O THR c 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL c 230 " --> pdb=" O THR c 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR c 249 " --> pdb=" O VAL c 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE c 232 " --> pdb=" O GLU c 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU c 247 " --> pdb=" O ILE c 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR c 234 " --> pdb=" O TYR c 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR c 245 " --> pdb=" O TYR c 234 " (cutoff:3.500A) Processing sheet with id=154, first strand: chain 'c' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR c 52 " --> pdb=" O LYS c 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS c 73 " --> pdb=" O THR c 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS c 54 " --> pdb=" O ASP c 71 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'c' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU c 140 " --> pdb=" O THR c 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE c 204 " --> pdb=" O TYR c 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL c 171 " --> pdb=" O ILE c 204 " (cutoff:3.500A) Processing sheet with id=156, first strand: chain 'c' and resid 185 through 186 Processing sheet with id=157, first strand: chain 'd' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP d 38 " --> pdb=" O LEU d 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU d 226 " --> pdb=" O ASP d 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER d 40 " --> pdb=" O LEU d 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR d 228 " --> pdb=" O SER d 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU d 226 " --> pdb=" O LEU d 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU d 253 " --> pdb=" O LEU d 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR d 228 " --> pdb=" O THR d 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR d 251 " --> pdb=" O THR d 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL d 230 " --> pdb=" O THR d 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR d 249 " --> pdb=" O VAL d 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE d 232 " --> pdb=" O GLU d 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU d 247 " --> pdb=" O ILE d 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR d 234 " --> pdb=" O TYR d 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR d 245 " --> pdb=" O TYR d 234 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'd' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR d 52 " --> pdb=" O LYS d 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS d 73 " --> pdb=" O THR d 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS d 54 " --> pdb=" O ASP d 71 " (cutoff:3.500A) Processing sheet with id=159, first strand: chain 'd' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU d 140 " --> pdb=" O THR d 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE d 204 " --> pdb=" O TYR d 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL d 171 " --> pdb=" O ILE d 204 " (cutoff:3.500A) Processing sheet with id=160, first strand: chain 'd' and resid 185 through 186 Processing sheet with id=161, first strand: chain 'e' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP e 38 " --> pdb=" O LEU e 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU e 226 " --> pdb=" O ASP e 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER e 40 " --> pdb=" O LEU e 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR e 228 " --> pdb=" O SER e 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU e 226 " --> pdb=" O LEU e 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU e 253 " --> pdb=" O LEU e 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR e 228 " --> pdb=" O THR e 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR e 251 " --> pdb=" O THR e 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL e 230 " --> pdb=" O THR e 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR e 249 " --> pdb=" O VAL e 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE e 232 " --> pdb=" O GLU e 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU e 247 " --> pdb=" O ILE e 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR e 234 " --> pdb=" O TYR e 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR e 245 " --> pdb=" O TYR e 234 " (cutoff:3.500A) Processing sheet with id=162, first strand: chain 'e' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR e 52 " --> pdb=" O LYS e 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS e 73 " --> pdb=" O THR e 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS e 54 " --> pdb=" O ASP e 71 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 'e' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU e 140 " --> pdb=" O THR e 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE e 204 " --> pdb=" O TYR e 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL e 171 " --> pdb=" O ILE e 204 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 'e' and resid 185 through 186 Processing sheet with id=165, first strand: chain 'f' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP f 38 " --> pdb=" O LEU f 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU f 226 " --> pdb=" O ASP f 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER f 40 " --> pdb=" O LEU f 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR f 228 " --> pdb=" O SER f 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU f 226 " --> pdb=" O LEU f 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU f 253 " --> pdb=" O LEU f 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR f 228 " --> pdb=" O THR f 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR f 251 " --> pdb=" O THR f 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL f 230 " --> pdb=" O THR f 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR f 249 " --> pdb=" O VAL f 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE f 232 " --> pdb=" O GLU f 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU f 247 " --> pdb=" O ILE f 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR f 234 " --> pdb=" O TYR f 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR f 245 " --> pdb=" O TYR f 234 " (cutoff:3.500A) Processing sheet with id=166, first strand: chain 'f' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR f 52 " --> pdb=" O LYS f 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS f 73 " --> pdb=" O THR f 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS f 54 " --> pdb=" O ASP f 71 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 'f' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU f 140 " --> pdb=" O THR f 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE f 204 " --> pdb=" O TYR f 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL f 171 " --> pdb=" O ILE f 204 " (cutoff:3.500A) Processing sheet with id=168, first strand: chain 'f' and resid 185 through 186 Processing sheet with id=169, first strand: chain 'g' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP g 38 " --> pdb=" O LEU g 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU g 226 " --> pdb=" O ASP g 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER g 40 " --> pdb=" O LEU g 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR g 228 " --> pdb=" O SER g 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU g 226 " --> pdb=" O LEU g 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU g 253 " --> pdb=" O LEU g 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR g 228 " --> pdb=" O THR g 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR g 251 " --> pdb=" O THR g 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL g 230 " --> pdb=" O THR g 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR g 249 " --> pdb=" O VAL g 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE g 232 " --> pdb=" O GLU g 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU g 247 " --> pdb=" O ILE g 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR g 234 " --> pdb=" O TYR g 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR g 245 " --> pdb=" O TYR g 234 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'g' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR g 52 " --> pdb=" O LYS g 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS g 73 " --> pdb=" O THR g 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS g 54 " --> pdb=" O ASP g 71 " (cutoff:3.500A) Processing sheet with id=171, first strand: chain 'g' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU g 140 " --> pdb=" O THR g 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE g 204 " --> pdb=" O TYR g 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL g 171 " --> pdb=" O ILE g 204 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain 'g' and resid 185 through 186 Processing sheet with id=173, first strand: chain 'h' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP h 38 " --> pdb=" O LEU h 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU h 226 " --> pdb=" O ASP h 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER h 40 " --> pdb=" O LEU h 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR h 228 " --> pdb=" O SER h 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU h 226 " --> pdb=" O LEU h 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU h 253 " --> pdb=" O LEU h 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR h 228 " --> pdb=" O THR h 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR h 251 " --> pdb=" O THR h 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL h 230 " --> pdb=" O THR h 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR h 249 " --> pdb=" O VAL h 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE h 232 " --> pdb=" O GLU h 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU h 247 " --> pdb=" O ILE h 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR h 234 " --> pdb=" O TYR h 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR h 245 " --> pdb=" O TYR h 234 " (cutoff:3.500A) Processing sheet with id=174, first strand: chain 'h' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR h 52 " --> pdb=" O LYS h 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS h 73 " --> pdb=" O THR h 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS h 54 " --> pdb=" O ASP h 71 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain 'h' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU h 140 " --> pdb=" O THR h 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE h 204 " --> pdb=" O TYR h 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL h 171 " --> pdb=" O ILE h 204 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'h' and resid 185 through 186 Processing sheet with id=177, first strand: chain 'i' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP i 38 " --> pdb=" O LEU i 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU i 226 " --> pdb=" O ASP i 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER i 40 " --> pdb=" O LEU i 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR i 228 " --> pdb=" O SER i 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU i 226 " --> pdb=" O LEU i 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU i 253 " --> pdb=" O LEU i 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR i 228 " --> pdb=" O THR i 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR i 251 " --> pdb=" O THR i 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL i 230 " --> pdb=" O THR i 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR i 249 " --> pdb=" O VAL i 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE i 232 " --> pdb=" O GLU i 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU i 247 " --> pdb=" O ILE i 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR i 234 " --> pdb=" O TYR i 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR i 245 " --> pdb=" O TYR i 234 " (cutoff:3.500A) Processing sheet with id=178, first strand: chain 'i' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR i 52 " --> pdb=" O LYS i 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS i 73 " --> pdb=" O THR i 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS i 54 " --> pdb=" O ASP i 71 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'i' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU i 140 " --> pdb=" O THR i 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE i 204 " --> pdb=" O TYR i 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL i 171 " --> pdb=" O ILE i 204 " (cutoff:3.500A) Processing sheet with id=180, first strand: chain 'i' and resid 185 through 186 Processing sheet with id=181, first strand: chain 'j' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP j 38 " --> pdb=" O LEU j 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU j 226 " --> pdb=" O ASP j 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER j 40 " --> pdb=" O LEU j 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR j 228 " --> pdb=" O SER j 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU j 226 " --> pdb=" O LEU j 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU j 253 " --> pdb=" O LEU j 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR j 228 " --> pdb=" O THR j 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR j 251 " --> pdb=" O THR j 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL j 230 " --> pdb=" O THR j 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR j 249 " --> pdb=" O VAL j 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE j 232 " --> pdb=" O GLU j 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU j 247 " --> pdb=" O ILE j 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR j 234 " --> pdb=" O TYR j 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR j 245 " --> pdb=" O TYR j 234 " (cutoff:3.500A) Processing sheet with id=182, first strand: chain 'j' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR j 52 " --> pdb=" O LYS j 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS j 73 " --> pdb=" O THR j 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS j 54 " --> pdb=" O ASP j 71 " (cutoff:3.500A) Processing sheet with id=183, first strand: chain 'j' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU j 140 " --> pdb=" O THR j 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE j 204 " --> pdb=" O TYR j 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL j 171 " --> pdb=" O ILE j 204 " (cutoff:3.500A) Processing sheet with id=184, first strand: chain 'j' and resid 185 through 186 Processing sheet with id=185, first strand: chain 'k' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP k 38 " --> pdb=" O LEU k 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU k 226 " --> pdb=" O ASP k 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER k 40 " --> pdb=" O LEU k 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR k 228 " --> pdb=" O SER k 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU k 226 " --> pdb=" O LEU k 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU k 253 " --> pdb=" O LEU k 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR k 228 " --> pdb=" O THR k 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR k 251 " --> pdb=" O THR k 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL k 230 " --> pdb=" O THR k 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR k 249 " --> pdb=" O VAL k 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE k 232 " --> pdb=" O GLU k 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU k 247 " --> pdb=" O ILE k 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR k 234 " --> pdb=" O TYR k 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR k 245 " --> pdb=" O TYR k 234 " (cutoff:3.500A) Processing sheet with id=186, first strand: chain 'k' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR k 52 " --> pdb=" O LYS k 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS k 73 " --> pdb=" O THR k 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS k 54 " --> pdb=" O ASP k 71 " (cutoff:3.500A) Processing sheet with id=187, first strand: chain 'k' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU k 140 " --> pdb=" O THR k 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE k 204 " --> pdb=" O TYR k 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL k 171 " --> pdb=" O ILE k 204 " (cutoff:3.500A) Processing sheet with id=188, first strand: chain 'k' and resid 185 through 186 Processing sheet with id=189, first strand: chain 'l' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP l 38 " --> pdb=" O LEU l 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU l 226 " --> pdb=" O ASP l 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER l 40 " --> pdb=" O LEU l 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR l 228 " --> pdb=" O SER l 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU l 226 " --> pdb=" O LEU l 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU l 253 " --> pdb=" O LEU l 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR l 228 " --> pdb=" O THR l 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR l 251 " --> pdb=" O THR l 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL l 230 " --> pdb=" O THR l 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR l 249 " --> pdb=" O VAL l 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE l 232 " --> pdb=" O GLU l 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU l 247 " --> pdb=" O ILE l 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR l 234 " --> pdb=" O TYR l 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR l 245 " --> pdb=" O TYR l 234 " (cutoff:3.500A) Processing sheet with id=190, first strand: chain 'l' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR l 52 " --> pdb=" O LYS l 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS l 73 " --> pdb=" O THR l 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS l 54 " --> pdb=" O ASP l 71 " (cutoff:3.500A) Processing sheet with id=191, first strand: chain 'l' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU l 140 " --> pdb=" O THR l 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE l 204 " --> pdb=" O TYR l 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL l 171 " --> pdb=" O ILE l 204 " (cutoff:3.500A) Processing sheet with id=192, first strand: chain 'l' and resid 185 through 186 Processing sheet with id=193, first strand: chain 'm' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP m 38 " --> pdb=" O LEU m 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU m 226 " --> pdb=" O ASP m 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER m 40 " --> pdb=" O LEU m 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR m 228 " --> pdb=" O SER m 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU m 226 " --> pdb=" O LEU m 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU m 253 " --> pdb=" O LEU m 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR m 228 " --> pdb=" O THR m 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR m 251 " --> pdb=" O THR m 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL m 230 " --> pdb=" O THR m 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR m 249 " --> pdb=" O VAL m 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE m 232 " --> pdb=" O GLU m 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU m 247 " --> pdb=" O ILE m 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR m 234 " --> pdb=" O TYR m 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR m 245 " --> pdb=" O TYR m 234 " (cutoff:3.500A) Processing sheet with id=194, first strand: chain 'm' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR m 52 " --> pdb=" O LYS m 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS m 73 " --> pdb=" O THR m 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS m 54 " --> pdb=" O ASP m 71 " (cutoff:3.500A) Processing sheet with id=195, first strand: chain 'm' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU m 140 " --> pdb=" O THR m 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE m 204 " --> pdb=" O TYR m 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL m 171 " --> pdb=" O ILE m 204 " (cutoff:3.500A) Processing sheet with id=196, first strand: chain 'm' and resid 185 through 186 Processing sheet with id=197, first strand: chain 'n' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP n 38 " --> pdb=" O LEU n 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU n 226 " --> pdb=" O ASP n 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER n 40 " --> pdb=" O LEU n 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR n 228 " --> pdb=" O SER n 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU n 226 " --> pdb=" O LEU n 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU n 253 " --> pdb=" O LEU n 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR n 228 " --> pdb=" O THR n 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR n 251 " --> pdb=" O THR n 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL n 230 " --> pdb=" O THR n 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR n 249 " --> pdb=" O VAL n 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE n 232 " --> pdb=" O GLU n 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU n 247 " --> pdb=" O ILE n 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR n 234 " --> pdb=" O TYR n 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR n 245 " --> pdb=" O TYR n 234 " (cutoff:3.500A) Processing sheet with id=198, first strand: chain 'n' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR n 52 " --> pdb=" O LYS n 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS n 73 " --> pdb=" O THR n 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS n 54 " --> pdb=" O ASP n 71 " (cutoff:3.500A) Processing sheet with id=199, first strand: chain 'n' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU n 140 " --> pdb=" O THR n 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE n 204 " --> pdb=" O TYR n 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL n 171 " --> pdb=" O ILE n 204 " (cutoff:3.500A) Processing sheet with id=200, first strand: chain 'n' and resid 185 through 186 Processing sheet with id=201, first strand: chain 'o' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP o 38 " --> pdb=" O LEU o 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU o 226 " --> pdb=" O ASP o 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER o 40 " --> pdb=" O LEU o 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR o 228 " --> pdb=" O SER o 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU o 226 " --> pdb=" O LEU o 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU o 253 " --> pdb=" O LEU o 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR o 228 " --> pdb=" O THR o 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR o 251 " --> pdb=" O THR o 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL o 230 " --> pdb=" O THR o 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR o 249 " --> pdb=" O VAL o 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE o 232 " --> pdb=" O GLU o 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU o 247 " --> pdb=" O ILE o 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR o 234 " --> pdb=" O TYR o 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR o 245 " --> pdb=" O TYR o 234 " (cutoff:3.500A) Processing sheet with id=202, first strand: chain 'o' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR o 52 " --> pdb=" O LYS o 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS o 73 " --> pdb=" O THR o 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS o 54 " --> pdb=" O ASP o 71 " (cutoff:3.500A) Processing sheet with id=203, first strand: chain 'o' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU o 140 " --> pdb=" O THR o 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE o 204 " --> pdb=" O TYR o 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL o 171 " --> pdb=" O ILE o 204 " (cutoff:3.500A) Processing sheet with id=204, first strand: chain 'o' and resid 185 through 186 Processing sheet with id=205, first strand: chain 'p' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP p 38 " --> pdb=" O LEU p 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU p 226 " --> pdb=" O ASP p 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER p 40 " --> pdb=" O LEU p 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR p 228 " --> pdb=" O SER p 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU p 226 " --> pdb=" O LEU p 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU p 253 " --> pdb=" O LEU p 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR p 228 " --> pdb=" O THR p 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR p 251 " --> pdb=" O THR p 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL p 230 " --> pdb=" O THR p 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR p 249 " --> pdb=" O VAL p 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE p 232 " --> pdb=" O GLU p 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU p 247 " --> pdb=" O ILE p 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR p 234 " --> pdb=" O TYR p 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR p 245 " --> pdb=" O TYR p 234 " (cutoff:3.500A) Processing sheet with id=206, first strand: chain 'p' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR p 52 " --> pdb=" O LYS p 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS p 73 " --> pdb=" O THR p 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS p 54 " --> pdb=" O ASP p 71 " (cutoff:3.500A) Processing sheet with id=207, first strand: chain 'p' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU p 140 " --> pdb=" O THR p 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE p 204 " --> pdb=" O TYR p 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL p 171 " --> pdb=" O ILE p 204 " (cutoff:3.500A) Processing sheet with id=208, first strand: chain 'p' and resid 185 through 186 Processing sheet with id=209, first strand: chain 'q' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP q 38 " --> pdb=" O LEU q 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU q 226 " --> pdb=" O ASP q 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER q 40 " --> pdb=" O LEU q 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR q 228 " --> pdb=" O SER q 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU q 226 " --> pdb=" O LEU q 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU q 253 " --> pdb=" O LEU q 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR q 228 " --> pdb=" O THR q 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR q 251 " --> pdb=" O THR q 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL q 230 " --> pdb=" O THR q 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR q 249 " --> pdb=" O VAL q 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE q 232 " --> pdb=" O GLU q 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU q 247 " --> pdb=" O ILE q 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR q 234 " --> pdb=" O TYR q 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR q 245 " --> pdb=" O TYR q 234 " (cutoff:3.500A) Processing sheet with id=210, first strand: chain 'q' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR q 52 " --> pdb=" O LYS q 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS q 73 " --> pdb=" O THR q 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS q 54 " --> pdb=" O ASP q 71 " (cutoff:3.500A) Processing sheet with id=211, first strand: chain 'q' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU q 140 " --> pdb=" O THR q 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE q 204 " --> pdb=" O TYR q 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL q 171 " --> pdb=" O ILE q 204 " (cutoff:3.500A) Processing sheet with id=212, first strand: chain 'q' and resid 185 through 186 Processing sheet with id=213, first strand: chain 'r' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP r 38 " --> pdb=" O LEU r 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU r 226 " --> pdb=" O ASP r 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER r 40 " --> pdb=" O LEU r 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR r 228 " --> pdb=" O SER r 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU r 226 " --> pdb=" O LEU r 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU r 253 " --> pdb=" O LEU r 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR r 228 " --> pdb=" O THR r 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR r 251 " --> pdb=" O THR r 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL r 230 " --> pdb=" O THR r 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR r 249 " --> pdb=" O VAL r 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE r 232 " --> pdb=" O GLU r 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU r 247 " --> pdb=" O ILE r 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR r 234 " --> pdb=" O TYR r 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR r 245 " --> pdb=" O TYR r 234 " (cutoff:3.500A) Processing sheet with id=214, first strand: chain 'r' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR r 52 " --> pdb=" O LYS r 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS r 73 " --> pdb=" O THR r 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS r 54 " --> pdb=" O ASP r 71 " (cutoff:3.500A) Processing sheet with id=215, first strand: chain 'r' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU r 140 " --> pdb=" O THR r 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE r 204 " --> pdb=" O TYR r 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL r 171 " --> pdb=" O ILE r 204 " (cutoff:3.500A) Processing sheet with id=216, first strand: chain 'r' and resid 185 through 186 Processing sheet with id=217, first strand: chain 's' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP s 38 " --> pdb=" O LEU s 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU s 226 " --> pdb=" O ASP s 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER s 40 " --> pdb=" O LEU s 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR s 228 " --> pdb=" O SER s 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU s 226 " --> pdb=" O LEU s 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU s 253 " --> pdb=" O LEU s 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR s 228 " --> pdb=" O THR s 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR s 251 " --> pdb=" O THR s 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL s 230 " --> pdb=" O THR s 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR s 249 " --> pdb=" O VAL s 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE s 232 " --> pdb=" O GLU s 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU s 247 " --> pdb=" O ILE s 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR s 234 " --> pdb=" O TYR s 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR s 245 " --> pdb=" O TYR s 234 " (cutoff:3.500A) Processing sheet with id=218, first strand: chain 's' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR s 52 " --> pdb=" O LYS s 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS s 73 " --> pdb=" O THR s 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS s 54 " --> pdb=" O ASP s 71 " (cutoff:3.500A) Processing sheet with id=219, first strand: chain 's' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU s 140 " --> pdb=" O THR s 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE s 204 " --> pdb=" O TYR s 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL s 171 " --> pdb=" O ILE s 204 " (cutoff:3.500A) Processing sheet with id=220, first strand: chain 's' and resid 185 through 186 Processing sheet with id=221, first strand: chain 't' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP t 38 " --> pdb=" O LEU t 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU t 226 " --> pdb=" O ASP t 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER t 40 " --> pdb=" O LEU t 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR t 228 " --> pdb=" O SER t 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU t 226 " --> pdb=" O LEU t 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU t 253 " --> pdb=" O LEU t 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR t 228 " --> pdb=" O THR t 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR t 251 " --> pdb=" O THR t 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL t 230 " --> pdb=" O THR t 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR t 249 " --> pdb=" O VAL t 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE t 232 " --> pdb=" O GLU t 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU t 247 " --> pdb=" O ILE t 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR t 234 " --> pdb=" O TYR t 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR t 245 " --> pdb=" O TYR t 234 " (cutoff:3.500A) Processing sheet with id=222, first strand: chain 't' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR t 52 " --> pdb=" O LYS t 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS t 73 " --> pdb=" O THR t 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS t 54 " --> pdb=" O ASP t 71 " (cutoff:3.500A) Processing sheet with id=223, first strand: chain 't' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU t 140 " --> pdb=" O THR t 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE t 204 " --> pdb=" O TYR t 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL t 171 " --> pdb=" O ILE t 204 " (cutoff:3.500A) Processing sheet with id=224, first strand: chain 't' and resid 185 through 186 Processing sheet with id=225, first strand: chain 'u' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP u 38 " --> pdb=" O LEU u 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU u 226 " --> pdb=" O ASP u 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER u 40 " --> pdb=" O LEU u 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR u 228 " --> pdb=" O SER u 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU u 226 " --> pdb=" O LEU u 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU u 253 " --> pdb=" O LEU u 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR u 228 " --> pdb=" O THR u 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR u 251 " --> pdb=" O THR u 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL u 230 " --> pdb=" O THR u 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR u 249 " --> pdb=" O VAL u 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE u 232 " --> pdb=" O GLU u 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU u 247 " --> pdb=" O ILE u 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR u 234 " --> pdb=" O TYR u 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR u 245 " --> pdb=" O TYR u 234 " (cutoff:3.500A) Processing sheet with id=226, first strand: chain 'u' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR u 52 " --> pdb=" O LYS u 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS u 73 " --> pdb=" O THR u 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS u 54 " --> pdb=" O ASP u 71 " (cutoff:3.500A) Processing sheet with id=227, first strand: chain 'u' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU u 140 " --> pdb=" O THR u 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE u 204 " --> pdb=" O TYR u 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL u 171 " --> pdb=" O ILE u 204 " (cutoff:3.500A) Processing sheet with id=228, first strand: chain 'u' and resid 185 through 186 Processing sheet with id=229, first strand: chain 'v' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP v 38 " --> pdb=" O LEU v 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU v 226 " --> pdb=" O ASP v 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER v 40 " --> pdb=" O LEU v 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR v 228 " --> pdb=" O SER v 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU v 226 " --> pdb=" O LEU v 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU v 253 " --> pdb=" O LEU v 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR v 228 " --> pdb=" O THR v 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR v 251 " --> pdb=" O THR v 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL v 230 " --> pdb=" O THR v 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR v 249 " --> pdb=" O VAL v 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE v 232 " --> pdb=" O GLU v 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU v 247 " --> pdb=" O ILE v 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR v 234 " --> pdb=" O TYR v 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR v 245 " --> pdb=" O TYR v 234 " (cutoff:3.500A) Processing sheet with id=230, first strand: chain 'v' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR v 52 " --> pdb=" O LYS v 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS v 73 " --> pdb=" O THR v 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS v 54 " --> pdb=" O ASP v 71 " (cutoff:3.500A) Processing sheet with id=231, first strand: chain 'v' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU v 140 " --> pdb=" O THR v 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE v 204 " --> pdb=" O TYR v 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL v 171 " --> pdb=" O ILE v 204 " (cutoff:3.500A) Processing sheet with id=232, first strand: chain 'v' and resid 185 through 186 Processing sheet with id=233, first strand: chain 'w' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP w 38 " --> pdb=" O LEU w 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU w 226 " --> pdb=" O ASP w 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER w 40 " --> pdb=" O LEU w 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR w 228 " --> pdb=" O SER w 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU w 226 " --> pdb=" O LEU w 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU w 253 " --> pdb=" O LEU w 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR w 228 " --> pdb=" O THR w 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR w 251 " --> pdb=" O THR w 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL w 230 " --> pdb=" O THR w 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR w 249 " --> pdb=" O VAL w 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE w 232 " --> pdb=" O GLU w 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU w 247 " --> pdb=" O ILE w 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR w 234 " --> pdb=" O TYR w 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR w 245 " --> pdb=" O TYR w 234 " (cutoff:3.500A) Processing sheet with id=234, first strand: chain 'w' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR w 52 " --> pdb=" O LYS w 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS w 73 " --> pdb=" O THR w 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS w 54 " --> pdb=" O ASP w 71 " (cutoff:3.500A) Processing sheet with id=235, first strand: chain 'w' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU w 140 " --> pdb=" O THR w 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE w 204 " --> pdb=" O TYR w 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL w 171 " --> pdb=" O ILE w 204 " (cutoff:3.500A) Processing sheet with id=236, first strand: chain 'w' and resid 185 through 186 Processing sheet with id=237, first strand: chain 'x' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP x 38 " --> pdb=" O LEU x 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU x 226 " --> pdb=" O ASP x 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER x 40 " --> pdb=" O LEU x 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR x 228 " --> pdb=" O SER x 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU x 226 " --> pdb=" O LEU x 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU x 253 " --> pdb=" O LEU x 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR x 228 " --> pdb=" O THR x 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR x 251 " --> pdb=" O THR x 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL x 230 " --> pdb=" O THR x 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR x 249 " --> pdb=" O VAL x 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE x 232 " --> pdb=" O GLU x 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU x 247 " --> pdb=" O ILE x 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR x 234 " --> pdb=" O TYR x 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR x 245 " --> pdb=" O TYR x 234 " (cutoff:3.500A) Processing sheet with id=238, first strand: chain 'x' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR x 52 " --> pdb=" O LYS x 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS x 73 " --> pdb=" O THR x 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS x 54 " --> pdb=" O ASP x 71 " (cutoff:3.500A) Processing sheet with id=239, first strand: chain 'x' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU x 140 " --> pdb=" O THR x 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE x 204 " --> pdb=" O TYR x 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL x 171 " --> pdb=" O ILE x 204 " (cutoff:3.500A) Processing sheet with id=240, first strand: chain 'x' and resid 185 through 186 5340 hydrogen bonds defined for protein. 14760 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 63.29 Time building geometry restraints manager: 38.50 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.22 - 1.34: 41412 1.34 - 1.46: 21444 1.46 - 1.57: 60744 1.57 - 1.69: 0 1.69 - 1.81: 420 Bond restraints: 124020 Sorted by residual: bond pdb=" C TYR a 189 " pdb=" N PRO a 190 " ideal model delta sigma weight residual 1.330 1.351 -0.021 1.22e-02 6.72e+03 2.82e+00 bond pdb=" C TYR 5 189 " pdb=" N PRO 5 190 " ideal model delta sigma weight residual 1.330 1.351 -0.021 1.22e-02 6.72e+03 2.82e+00 bond pdb=" C TYR Q 189 " pdb=" N PRO Q 190 " ideal model delta sigma weight residual 1.330 1.351 -0.021 1.22e-02 6.72e+03 2.82e+00 bond pdb=" C TYR B 189 " pdb=" N PRO B 190 " ideal model delta sigma weight residual 1.330 1.351 -0.021 1.22e-02 6.72e+03 2.82e+00 bond pdb=" C TYR k 189 " pdb=" N PRO k 190 " ideal model delta sigma weight residual 1.330 1.351 -0.021 1.22e-02 6.72e+03 2.82e+00 ... (remaining 124015 not shown) Histogram of bond angle deviations from ideal: 100.30 - 107.09: 4944 107.09 - 113.89: 70176 113.89 - 120.68: 49860 120.68 - 127.47: 42612 127.47 - 134.26: 1608 Bond angle restraints: 169200 Sorted by residual: angle pdb=" CA GLU 2 176 " pdb=" CB GLU 2 176 " pdb=" CG GLU 2 176 " ideal model delta sigma weight residual 114.10 121.66 -7.56 2.00e+00 2.50e-01 1.43e+01 angle pdb=" CA GLU r 176 " pdb=" CB GLU r 176 " pdb=" CG GLU r 176 " ideal model delta sigma weight residual 114.10 121.66 -7.56 2.00e+00 2.50e-01 1.43e+01 angle pdb=" CA GLU N 176 " pdb=" CB GLU N 176 " pdb=" CG GLU N 176 " ideal model delta sigma weight residual 114.10 121.66 -7.56 2.00e+00 2.50e-01 1.43e+01 angle pdb=" CA GLU S 176 " pdb=" CB GLU S 176 " pdb=" CG GLU S 176 " ideal model delta sigma weight residual 114.10 121.66 -7.56 2.00e+00 2.50e-01 1.43e+01 angle pdb=" CA GLU I 176 " pdb=" CB GLU I 176 " pdb=" CG GLU I 176 " ideal model delta sigma weight residual 114.10 121.66 -7.56 2.00e+00 2.50e-01 1.43e+01 ... (remaining 169195 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 11.89: 63648 11.89 - 23.77: 7512 23.77 - 35.66: 2280 35.66 - 47.55: 960 47.55 - 59.43: 180 Dihedral angle restraints: 74580 sinusoidal: 28620 harmonic: 45960 Sorted by residual: dihedral pdb=" CA MET u 250 " pdb=" C MET u 250 " pdb=" N THR u 251 " pdb=" CA THR u 251 " ideal model delta harmonic sigma weight residual 180.00 159.39 20.61 0 5.00e+00 4.00e-02 1.70e+01 dihedral pdb=" CA MET V 250 " pdb=" C MET V 250 " pdb=" N THR V 251 " pdb=" CA THR V 251 " ideal model delta harmonic sigma weight residual 180.00 159.39 20.61 0 5.00e+00 4.00e-02 1.70e+01 dihedral pdb=" CA MET 0 250 " pdb=" C MET 0 250 " pdb=" N THR 0 251 " pdb=" CA THR 0 251 " ideal model delta harmonic sigma weight residual 180.00 159.39 20.61 0 5.00e+00 4.00e-02 1.70e+01 ... (remaining 74577 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.053: 13920 0.053 - 0.105: 4452 0.105 - 0.158: 816 0.158 - 0.210: 312 0.210 - 0.263: 60 Chirality restraints: 19560 Sorted by residual: chirality pdb=" CB THR g 83 " pdb=" CA THR g 83 " pdb=" OG1 THR g 83 " pdb=" CG2 THR g 83 " both_signs ideal model delta sigma weight residual False 2.55 2.29 0.26 2.00e-01 2.50e+01 1.73e+00 chirality pdb=" CB THR M 83 " pdb=" CA THR M 83 " pdb=" OG1 THR M 83 " pdb=" CG2 THR M 83 " both_signs ideal model delta sigma weight residual False 2.55 2.29 0.26 2.00e-01 2.50e+01 1.73e+00 chirality pdb=" CB THR 1 83 " pdb=" CA THR 1 83 " pdb=" OG1 THR 1 83 " pdb=" CG2 THR 1 83 " both_signs ideal model delta sigma weight residual False 2.55 2.29 0.26 2.00e-01 2.50e+01 1.73e+00 ... (remaining 19557 not shown) Planarity restraints: 22260 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C ASP m 102 " -0.035 5.00e-02 4.00e+02 5.23e-02 4.38e+00 pdb=" N PRO m 103 " 0.090 5.00e-02 4.00e+02 pdb=" CA PRO m 103 " -0.025 5.00e-02 4.00e+02 pdb=" CD PRO m 103 " -0.030 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ASP 7 102 " -0.035 5.00e-02 4.00e+02 5.23e-02 4.38e+00 pdb=" N PRO 7 103 " 0.090 5.00e-02 4.00e+02 pdb=" CA PRO 7 103 " -0.025 5.00e-02 4.00e+02 pdb=" CD PRO 7 103 " -0.030 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ASP D 102 " -0.035 5.00e-02 4.00e+02 5.23e-02 4.38e+00 pdb=" N PRO D 103 " 0.090 5.00e-02 4.00e+02 pdb=" CA PRO D 103 " -0.025 5.00e-02 4.00e+02 pdb=" CD PRO D 103 " -0.030 5.00e-02 4.00e+02 ... (remaining 22257 not shown) Histogram of nonbonded interaction distances: 2.27 - 2.80: 32772 2.80 - 3.32: 103356 3.32 - 3.85: 225036 3.85 - 4.37: 264048 4.37 - 4.90: 438156 Nonbonded interactions: 1063368 Sorted by model distance: nonbonded pdb=" O SER M 59 " pdb=" OH TYR k 123 " model vdw 2.271 2.440 nonbonded pdb=" OH TYR L 123 " pdb=" O SER b 59 " model vdw 2.271 2.440 nonbonded pdb=" O SER C 59 " pdb=" OH TYR f 123 " model vdw 2.271 2.440 nonbonded pdb=" OH TYR a 123 " pdb=" O SER l 59 " model vdw 2.271 2.440 nonbonded pdb=" OH TYR G 123 " pdb=" O SER 6 59 " model vdw 2.271 2.440 ... (remaining 1063363 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 '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain '9' selection = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.890 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: 17.770 Check model and map are aligned: 1.390 Set scattering table: 0.780 Process input model: 246.390 Find NCS groups from input model: 6.420 Set up NCS constraints: 1.440 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:9.940 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 287.120 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8377 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.054 124020 Z= 0.465 Angle : 0.915 9.146 169200 Z= 0.527 Chirality : 0.057 0.263 19560 Planarity : 0.005 0.052 22260 Dihedral : 12.855 59.434 44940 Min Nonbonded Distance : 2.271 Molprobity Statistics. All-atom Clashscore : 3.35 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.36 % Favored : 97.64 % Rotamer Outliers : 0.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.48 (0.06), residues: 15780 helix: -3.50 (0.04), residues: 5280 sheet: 0.33 (0.08), residues: 4260 loop : -1.14 (0.07), residues: 6240 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1872 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1872 time to evaluate : 10.714 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 1872 average time/residue: 2.3268 time to fit residues: 5788.4151 Evaluate side-chains 1344 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1344 time to evaluate : 10.698 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 13.9524 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1317 optimal weight: 7.9990 chunk 1182 optimal weight: 10.0000 chunk 656 optimal weight: 8.9990 chunk 403 optimal weight: 7.9990 chunk 797 optimal weight: 5.9990 chunk 631 optimal weight: 8.9990 chunk 1222 optimal weight: 0.9990 chunk 473 optimal weight: 0.9990 chunk 743 optimal weight: 6.9990 chunk 910 optimal weight: 0.9990 chunk 1416 optimal weight: 8.9990 overall best weight: 3.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 30 HIS A 187 HIS A 196 ASN B 30 HIS B 187 HIS C 30 HIS C 196 ASN D 155 GLN D 187 HIS E 30 HIS E 225 GLN F 30 HIS F 187 HIS F 196 ASN G 30 HIS G 155 GLN G 187 HIS H 30 HIS H 196 ASN I 187 HIS J 30 HIS J 187 HIS J 225 GLN K 30 HIS K 187 HIS K 196 ASN L 30 HIS L 187 HIS M 30 HIS M 196 ASN N 187 HIS O 30 HIS O 225 GLN P 30 HIS P 187 HIS P 196 ASN Q 30 HIS Q 155 GLN Q 187 HIS R 30 HIS R 196 ASN T 30 HIS T 187 HIS T 225 GLN U 30 HIS U 187 HIS U 196 ASN V 30 HIS V 155 GLN V 187 HIS W 30 HIS W 196 ASN Y 30 HIS Y 225 GLN Z 30 HIS Z 187 HIS Z 196 ASN 0 30 HIS 0 187 HIS 1 30 HIS 1 196 ASN 2 155 GLN 3 30 HIS 3 187 HIS 3 225 GLN 4 30 HIS 4 187 HIS 4 196 ASN 5 30 HIS 5 187 HIS 6 30 HIS 6 196 ASN 7 155 GLN 8 30 HIS 8 187 HIS 8 225 GLN 9 30 HIS 9 187 HIS 9 196 ASN a 30 HIS a 155 GLN a 187 HIS b 30 HIS b 196 ASN d 30 HIS d 225 GLN e 30 HIS e 187 HIS e 196 ASN f 30 HIS f 155 GLN f 187 HIS g 30 HIS g 196 ASN h 187 HIS i 30 HIS i 187 HIS i 225 GLN j 30 HIS j 187 HIS j 196 ASN k 30 HIS k 155 GLN k 187 HIS l 30 HIS l 196 ASN n 30 HIS n 187 HIS n 225 GLN o 30 HIS o 187 HIS o 196 ASN p 30 HIS p 187 HIS q 30 HIS q 196 ASN r 155 GLN r 187 HIS s 30 HIS s 225 GLN t 30 HIS t 187 HIS t 196 ASN u 30 HIS u 187 HIS v 30 HIS v 196 ASN w 155 GLN w 187 HIS x 30 HIS x 225 GLN Total number of N/Q/H flips: 131 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8424 moved from start: 0.1649 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.050 124020 Z= 0.268 Angle : 0.597 7.506 169200 Z= 0.311 Chirality : 0.045 0.136 19560 Planarity : 0.004 0.036 22260 Dihedral : 5.099 19.554 17400 Min Nonbonded Distance : 2.157 Molprobity Statistics. All-atom Clashscore : 7.00 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.05 % Favored : 97.95 % Rotamer Outliers : 3.52 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.03 (0.06), residues: 15780 helix: 0.03 (0.06), residues: 5280 sheet: 0.74 (0.08), residues: 3900 loop : -0.28 (0.08), residues: 6600 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1818 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 456 poor density : 1362 time to evaluate : 10.937 Fit side-chains outliers start: 456 outliers final: 252 residues processed: 1602 average time/residue: 2.1865 time to fit residues: 4746.1412 Evaluate side-chains 1572 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 252 poor density : 1320 time to evaluate : 10.709 Switching outliers to nearest non-outliers outliers start: 252 outliers final: 132 residues processed: 120 average time/residue: 1.2882 time to fit residues: 262.7860 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 787 optimal weight: 4.9990 chunk 439 optimal weight: 1.9990 chunk 1179 optimal weight: 10.0000 chunk 964 optimal weight: 8.9990 chunk 390 optimal weight: 5.9990 chunk 1419 optimal weight: 6.9990 chunk 1533 optimal weight: 5.9990 chunk 1263 optimal weight: 0.8980 chunk 1407 optimal weight: 7.9990 chunk 483 optimal weight: 0.9990 chunk 1138 optimal weight: 2.9990 overall best weight: 2.3788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: C 194 HIS C 196 ASN C 225 GLN H 194 HIS H 196 ASN H 225 GLN M 194 HIS M 196 ASN M 225 GLN R 194 HIS R 196 ASN R 225 GLN S 187 HIS W 194 HIS W 196 ASN W 225 GLN X 187 HIS 1 194 HIS 1 225 GLN 2 187 HIS 6 194 HIS 6 225 GLN 7 187 HIS b 194 HIS b 196 ASN b 225 GLN c 187 HIS g 194 HIS g 196 ASN g 225 GLN l 194 HIS l 196 ASN l 225 GLN m 187 HIS q 194 HIS q 196 ASN q 225 GLN v 194 HIS v 196 ASN v 225 GLN Total number of N/Q/H flips: 40 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8415 moved from start: 0.1864 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.040 124020 Z= 0.211 Angle : 0.541 8.560 169200 Z= 0.275 Chirality : 0.044 0.143 19560 Planarity : 0.003 0.032 22260 Dihedral : 4.810 18.542 17400 Min Nonbonded Distance : 2.182 Molprobity Statistics. All-atom Clashscore : 6.76 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.21 % Favored : 97.79 % Rotamer Outliers : 3.56 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.14 (0.07), residues: 15780 helix: 1.57 (0.07), residues: 5280 sheet: 0.95 (0.08), residues: 4260 loop : 0.01 (0.08), residues: 6240 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1884 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 462 poor density : 1422 time to evaluate : 10.747 Fit side-chains outliers start: 462 outliers final: 228 residues processed: 1680 average time/residue: 2.2381 time to fit residues: 5163.6389 Evaluate side-chains 1614 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 228 poor density : 1386 time to evaluate : 10.803 Switching outliers to nearest non-outliers outliers start: 228 outliers final: 132 residues processed: 96 average time/residue: 0.9011 time to fit residues: 179.7055 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1402 optimal weight: 1.9990 chunk 1067 optimal weight: 5.9990 chunk 736 optimal weight: 2.9990 chunk 157 optimal weight: 5.9990 chunk 677 optimal weight: 5.9990 chunk 952 optimal weight: 10.0000 chunk 1424 optimal weight: 10.0000 chunk 1507 optimal weight: 9.9990 chunk 744 optimal weight: 2.9990 chunk 1349 optimal weight: 10.0000 chunk 406 optimal weight: 0.0470 overall best weight: 2.8086 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN C 155 GLN C 196 ASN C 225 GLN H 155 GLN H 196 ASN H 225 GLN K 196 ASN M 155 GLN M 196 ASN M 225 GLN R 155 GLN R 196 ASN R 225 GLN W 155 GLN W 196 ASN W 225 GLN Z 196 ASN 0 155 GLN 1 155 GLN 1 225 GLN 4 196 ASN 6 155 GLN 6 196 ASN 6 225 GLN b 155 GLN b 196 ASN b 225 GLN e 196 ASN g 155 GLN g 196 ASN g 225 GLN j 196 ASN l 155 GLN l 196 ASN l 225 GLN o 196 ASN q 155 GLN q 196 ASN q 225 GLN t 196 ASN v 155 GLN v 196 ASN v 225 GLN Total number of N/Q/H flips: 44 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8424 moved from start: 0.1960 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.051 124020 Z= 0.240 Angle : 0.548 8.629 169200 Z= 0.279 Chirality : 0.044 0.135 19560 Planarity : 0.003 0.020 22260 Dihedral : 4.867 18.785 17400 Min Nonbonded Distance : 2.172 Molprobity Statistics. All-atom Clashscore : 6.89 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.21 % Favored : 97.79 % Rotamer Outliers : 4.31 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.47 (0.07), residues: 15780 helix: 1.99 (0.07), residues: 5280 sheet: 1.02 (0.08), residues: 4260 loop : 0.15 (0.08), residues: 6240 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1969 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 558 poor density : 1411 time to evaluate : 10.900 Fit side-chains outliers start: 558 outliers final: 282 residues processed: 1765 average time/residue: 2.0848 time to fit residues: 5135.5472 Evaluate side-chains 1674 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 282 poor density : 1392 time to evaluate : 10.784 Switching outliers to nearest non-outliers outliers start: 282 outliers final: 186 residues processed: 96 average time/residue: 1.0778 time to fit residues: 195.5347 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1255 optimal weight: 6.9990 chunk 855 optimal weight: 0.8980 chunk 21 optimal weight: 10.0000 chunk 1122 optimal weight: 10.0000 chunk 622 optimal weight: 1.9990 chunk 1286 optimal weight: 9.9990 chunk 1042 optimal weight: 5.9990 chunk 1 optimal weight: 6.9990 chunk 769 optimal weight: 1.9990 chunk 1353 optimal weight: 0.8980 chunk 380 optimal weight: 5.9990 overall best weight: 2.3586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: C 155 GLN C 225 GLN H 155 GLN H 225 GLN M 155 GLN M 225 GLN R 155 GLN R 225 GLN W 155 GLN W 225 GLN 1 155 GLN 1 225 GLN 6 155 GLN 6 225 GLN b 155 GLN b 225 GLN g 155 GLN g 225 GLN l 155 GLN l 225 GLN q 155 GLN q 196 ASN q 225 GLN v 155 GLN v 196 ASN v 225 GLN Total number of N/Q/H flips: 26 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8415 moved from start: 0.2081 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.042 124020 Z= 0.210 Angle : 0.533 9.075 169200 Z= 0.268 Chirality : 0.044 0.138 19560 Planarity : 0.003 0.020 22260 Dihedral : 4.728 18.608 17400 Min Nonbonded Distance : 2.180 Molprobity Statistics. All-atom Clashscore : 6.94 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.36 % Favored : 97.64 % Rotamer Outliers : 3.12 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.60 (0.07), residues: 15780 helix: 2.19 (0.07), residues: 5280 sheet: 1.00 (0.08), residues: 4260 loop : 0.21 (0.08), residues: 6240 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1832 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 404 poor density : 1428 time to evaluate : 10.882 Fit side-chains outliers start: 404 outliers final: 270 residues processed: 1698 average time/residue: 2.1871 time to fit residues: 5119.6559 Evaluate side-chains 1659 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 270 poor density : 1389 time to evaluate : 10.719 Switching outliers to nearest non-outliers outliers start: 270 outliers final: 198 residues processed: 72 average time/residue: 1.1416 time to fit residues: 154.5911 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 507 optimal weight: 10.0000 chunk 1357 optimal weight: 8.9990 chunk 298 optimal weight: 10.0000 chunk 885 optimal weight: 8.9990 chunk 372 optimal weight: 8.9990 chunk 1509 optimal weight: 0.6980 chunk 1252 optimal weight: 9.9990 chunk 698 optimal weight: 9.9990 chunk 125 optimal weight: 9.9990 chunk 499 optimal weight: 0.5980 chunk 792 optimal weight: 7.9990 overall best weight: 5.4586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN C 155 GLN C 225 GLN F 196 ASN H 155 GLN H 225 GLN K 196 ASN M 155 GLN M 225 GLN P 196 ASN R 155 GLN R 225 GLN U 196 ASN W 155 GLN W 196 ASN W 225 GLN Z 196 ASN 1 155 GLN 1 225 GLN 4 196 ASN 6 155 GLN 6 225 GLN 9 196 ASN b 155 GLN b 196 ASN b 225 GLN e 196 ASN g 155 GLN g 196 ASN g 225 GLN j 196 ASN l 155 GLN l 196 ASN l 225 GLN o 196 ASN q 155 GLN q 196 ASN q 225 GLN t 196 ASN v 155 GLN v 196 ASN v 225 GLN Total number of N/Q/H flips: 42 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8456 moved from start: 0.2169 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.087 124020 Z= 0.411 Angle : 0.643 9.174 169200 Z= 0.330 Chirality : 0.049 0.166 19560 Planarity : 0.005 0.035 22260 Dihedral : 5.208 21.138 17400 Min Nonbonded Distance : 2.113 Molprobity Statistics. All-atom Clashscore : 7.78 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.13 % Favored : 97.87 % Rotamer Outliers : 3.46 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.44 (0.07), residues: 15780 helix: 1.95 (0.07), residues: 5280 sheet: 1.02 (0.08), residues: 3900 loop : 0.18 (0.08), residues: 6600 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1870 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 449 poor density : 1421 time to evaluate : 11.192 Fit side-chains outliers start: 449 outliers final: 323 residues processed: 1745 average time/residue: 2.1178 time to fit residues: 5102.0804 Evaluate side-chains 1742 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 323 poor density : 1419 time to evaluate : 10.748 Switching outliers to nearest non-outliers outliers start: 323 outliers final: 258 residues processed: 65 average time/residue: 1.0035 time to fit residues: 131.4582 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1455 optimal weight: 5.9990 chunk 170 optimal weight: 4.9990 chunk 859 optimal weight: 0.9990 chunk 1102 optimal weight: 2.9990 chunk 854 optimal weight: 4.9990 chunk 1270 optimal weight: 3.9990 chunk 842 optimal weight: 2.9990 chunk 1503 optimal weight: 5.9990 chunk 940 optimal weight: 8.9990 chunk 916 optimal weight: 0.0050 chunk 694 optimal weight: 5.9990 overall best weight: 2.2002 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: C 155 GLN C 196 ASN H 155 GLN H 196 ASN M 155 GLN M 196 ASN R 155 GLN R 196 ASN W 155 GLN W 196 ASN 1 155 GLN 1 196 ASN 6 155 GLN 6 196 ASN b 155 GLN b 196 ASN g 155 GLN g 196 ASN l 155 GLN l 196 ASN q 155 GLN q 196 ASN v 155 GLN v 196 ASN Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8418 moved from start: 0.2207 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.042 124020 Z= 0.204 Angle : 0.534 9.447 169200 Z= 0.269 Chirality : 0.043 0.133 19560 Planarity : 0.003 0.022 22260 Dihedral : 4.784 19.484 17400 Min Nonbonded Distance : 2.177 Molprobity Statistics. All-atom Clashscore : 6.84 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.05 % Favored : 97.95 % Rotamer Outliers : 3.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.64 (0.07), residues: 15780 helix: 2.24 (0.07), residues: 5280 sheet: 0.95 (0.08), residues: 4260 loop : 0.27 (0.08), residues: 6240 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1856 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 389 poor density : 1467 time to evaluate : 10.887 Fit side-chains outliers start: 389 outliers final: 272 residues processed: 1778 average time/residue: 2.1686 time to fit residues: 5353.5345 Evaluate side-chains 1697 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 272 poor density : 1425 time to evaluate : 10.715 Switching outliers to nearest non-outliers outliers start: 272 outliers final: 236 residues processed: 36 average time/residue: 0.9283 time to fit residues: 77.6372 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 930 optimal weight: 0.8980 chunk 600 optimal weight: 9.9990 chunk 898 optimal weight: 6.9990 chunk 452 optimal weight: 4.9990 chunk 295 optimal weight: 8.9990 chunk 291 optimal weight: 0.9990 chunk 955 optimal weight: 9.9990 chunk 1024 optimal weight: 1.9990 chunk 743 optimal weight: 0.0970 chunk 140 optimal weight: 6.9990 chunk 1181 optimal weight: 5.9990 overall best weight: 1.7984 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN C 155 GLN C 196 ASN F 196 ASN H 155 GLN H 196 ASN K 196 ASN M 155 GLN M 196 ASN P 196 ASN R 155 GLN R 196 ASN U 196 ASN W 155 GLN W 196 ASN Z 196 ASN 1 155 GLN 1 196 ASN 4 196 ASN 6 155 GLN 6 196 ASN 9 196 ASN b 155 GLN b 196 ASN e 196 ASN g 155 GLN g 196 ASN j 196 ASN l 155 GLN l 196 ASN o 196 ASN q 155 GLN q 196 ASN t 196 ASN v 155 GLN v 196 ASN Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8407 moved from start: 0.2255 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.032 124020 Z= 0.178 Angle : 0.520 9.614 169200 Z= 0.260 Chirality : 0.043 0.132 19560 Planarity : 0.003 0.021 22260 Dihedral : 4.615 19.040 17400 Min Nonbonded Distance : 2.181 Molprobity Statistics. All-atom Clashscore : 6.86 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.26 % Favored : 97.74 % Rotamer Outliers : 2.25 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.73 (0.07), residues: 15780 helix: 2.41 (0.07), residues: 5280 sheet: 0.91 (0.07), residues: 4260 loop : 0.31 (0.08), residues: 6240 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1739 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 291 poor density : 1448 time to evaluate : 10.899 Fit side-chains outliers start: 291 outliers final: 236 residues processed: 1694 average time/residue: 2.1781 time to fit residues: 5123.3305 Evaluate side-chains 1613 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 236 poor density : 1377 time to evaluate : 10.676 Switching outliers to nearest non-outliers outliers start: 236 outliers final: 221 residues processed: 15 average time/residue: 1.0233 time to fit residues: 42.0511 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1367 optimal weight: 0.9990 chunk 1440 optimal weight: 1.9990 chunk 1314 optimal weight: 5.9990 chunk 1401 optimal weight: 9.9990 chunk 843 optimal weight: 0.9990 chunk 610 optimal weight: 0.9990 chunk 1100 optimal weight: 1.9990 chunk 429 optimal weight: 4.9990 chunk 1266 optimal weight: 9.9990 chunk 1325 optimal weight: 0.6980 chunk 1396 optimal weight: 1.9990 overall best weight: 1.1388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN C 155 GLN C 196 ASN H 155 GLN H 196 ASN K 196 ASN M 155 GLN M 196 ASN R 155 GLN R 196 ASN W 155 GLN W 187 HIS W 196 ASN Z 196 ASN 1 155 GLN 1 196 ASN 6 155 GLN 6 196 ASN b 155 GLN b 187 HIS b 196 ASN e 196 ASN g 155 GLN g 196 ASN j 196 ASN l 155 GLN l 196 ASN q 155 GLN q 196 ASN t 196 ASN v 155 GLN v 196 ASN Total number of N/Q/H flips: 32 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8381 moved from start: 0.2318 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.033 124020 Z= 0.141 Angle : 0.496 9.799 169200 Z= 0.247 Chirality : 0.042 0.130 19560 Planarity : 0.003 0.021 22260 Dihedral : 4.385 17.952 17400 Min Nonbonded Distance : 2.198 Molprobity Statistics. All-atom Clashscore : 6.43 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.67 % Favored : 98.33 % Rotamer Outliers : 2.11 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.88 (0.07), residues: 15780 helix: 2.54 (0.07), residues: 5280 sheet: 0.95 (0.07), residues: 4260 loop : 0.42 (0.09), residues: 6240 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1781 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 274 poor density : 1507 time to evaluate : 10.738 Fit side-chains outliers start: 274 outliers final: 216 residues processed: 1737 average time/residue: 2.1374 time to fit residues: 5126.5362 Evaluate side-chains 1634 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 216 poor density : 1418 time to evaluate : 10.823 Switching outliers to nearest non-outliers outliers start: 216 outliers final: 216 residues processed: 0 time to fit residues: 13.8834 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 920 optimal weight: 3.9990 chunk 1481 optimal weight: 5.9990 chunk 904 optimal weight: 3.9990 chunk 702 optimal weight: 0.9980 chunk 1029 optimal weight: 1.9990 chunk 1554 optimal weight: 0.9980 chunk 1430 optimal weight: 5.9990 chunk 1237 optimal weight: 2.9990 chunk 128 optimal weight: 5.9990 chunk 955 optimal weight: 0.0980 chunk 758 optimal weight: 7.9990 overall best weight: 1.4184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN C 155 GLN C 196 ASN F 196 ASN H 155 GLN H 196 ASN K 196 ASN M 155 GLN M 196 ASN P 196 ASN R 155 GLN R 196 ASN U 196 ASN W 155 GLN W 196 ASN 1 155 GLN 1 196 ASN 4 196 ASN 6 155 GLN 6 196 ASN 9 196 ASN b 155 GLN b 196 ASN e 196 ASN g 155 GLN g 196 ASN j 196 ASN l 155 GLN l 196 ASN o 196 ASN q 155 GLN q 196 ASN t 196 ASN v 155 GLN v 196 ASN Total number of N/Q/H flips: 35 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8387 moved from start: 0.2337 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.032 124020 Z= 0.156 Angle : 0.506 9.594 169200 Z= 0.251 Chirality : 0.042 0.131 19560 Planarity : 0.003 0.021 22260 Dihedral : 4.398 19.594 17400 Min Nonbonded Distance : 2.202 Molprobity Statistics. All-atom Clashscore : 6.35 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.91 % Favored : 98.09 % Rotamer Outliers : 2.04 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.91 (0.07), residues: 15780 helix: 2.55 (0.07), residues: 5280 sheet: 0.96 (0.08), residues: 4260 loop : 0.45 (0.09), residues: 6240 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1725 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 264 poor density : 1461 time to evaluate : 10.933 Fit side-chains outliers start: 264 outliers final: 216 residues processed: 1694 average time/residue: 2.1337 time to fit residues: 4980.8539 Evaluate side-chains 1631 residues out of total 12960 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 216 poor density : 1415 time to evaluate : 10.735 Switching outliers to nearest non-outliers outliers start: 216 outliers final: 216 residues processed: 0 time to fit residues: 13.4874 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 983 optimal weight: 9.9990 chunk 1318 optimal weight: 4.9990 chunk 379 optimal weight: 10.0000 chunk 1141 optimal weight: 3.9990 chunk 182 optimal weight: 10.0000 chunk 343 optimal weight: 4.9990 chunk 1239 optimal weight: 9.9990 chunk 518 optimal weight: 5.9990 chunk 1272 optimal weight: 5.9990 chunk 156 optimal weight: 6.9990 chunk 228 optimal weight: 0.9990 overall best weight: 4.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN C 155 GLN C 196 ASN F 196 ASN H 155 GLN H 196 ASN K 196 ASN M 155 GLN M 196 ASN P 196 ASN R 155 GLN R 196 ASN U 196 ASN W 155 GLN W 196 ASN Z 196 ASN 1 155 GLN 4 196 ASN 6 155 GLN 9 196 ASN b 155 GLN b 196 ASN e 196 ASN g 155 GLN g 196 ASN j 196 ASN l 155 GLN l 196 ASN o 196 ASN q 155 GLN q 196 ASN t 196 ASN v 155 GLN v 196 ASN Total number of N/Q/H flips: 34 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3356 r_free = 0.3356 target = 0.123306 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 51)----------------| | r_work = 0.3150 r_free = 0.3150 target = 0.108149 restraints weight = 127389.255| |-----------------------------------------------------------------------------| r_work (start): 0.3155 rms_B_bonded: 0.79 r_work: 0.3064 rms_B_bonded: 1.28 restraints_weight: 0.5000 r_work: 0.2962 rms_B_bonded: 2.28 restraints_weight: 0.2500 r_work (final): 0.2962 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8616 moved from start: 0.2288 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.071 124020 Z= 0.328 Angle : 0.609 9.823 169200 Z= 0.307 Chirality : 0.046 0.146 19560 Planarity : 0.004 0.027 22260 Dihedral : 4.946 21.876 17400 Min Nonbonded Distance : 2.132 Molprobity Statistics. All-atom Clashscore : 7.61 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.23 % Favored : 97.77 % Rotamer Outliers : 2.04 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.73 (0.07), residues: 15780 helix: 2.27 (0.07), residues: 5280 sheet: 1.02 (0.08), residues: 3900 loop : 0.40 (0.08), residues: 6600 =============================================================================== Job complete usr+sys time: 62268.74 seconds wall clock time: 1070 minutes 14.27 seconds (64214.27 seconds total)