Starting phenix.real_space_refine on Mon Mar 18 12:11:18 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7o3w_12710/03_2024/7o3w_12710_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7o3w_12710/03_2024/7o3w_12710.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.9 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7o3w_12710/03_2024/7o3w_12710.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7o3w_12710/03_2024/7o3w_12710.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7o3w_12710/03_2024/7o3w_12710_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7o3w_12710/03_2024/7o3w_12710_updated.pdb" } resolution = 4.9 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 0.001 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 5 Type Number sf(0) Gaussians P 28 5.49 5 S 420 5.16 5 C 84140 2.51 5 N 25606 2.21 5 O 28196 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "D PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 5": "OD1" <-> "OD2" Residue "D GLU 23": "OE1" <-> "OE2" Residue "D GLU 38": "OE1" <-> "OE2" Residue "D ASP 39": "OD1" <-> "OD2" Residue "D GLU 53": "OE1" <-> "OE2" Residue "D GLU 54": "OE1" <-> "OE2" Residue "D GLU 58": "OE1" <-> "OE2" Residue "D ARG 60": "NH1" <-> "NH2" Residue "D GLU 67": "OE1" <-> "OE2" Residue "D ARG 93": "NH1" <-> "NH2" Residue "D GLU 116": "OE1" <-> "OE2" Residue "D GLU 126": "OE1" <-> "OE2" Residue "D GLU 151": "OE1" <-> "OE2" Residue "D PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 169": "OE1" <-> "OE2" Residue "D GLU 172": "OE1" <-> "OE2" Residue "D ASP 177": "OD1" <-> "OD2" Residue "D GLU 187": "OE1" <-> "OE2" Residue "D GLU 207": "OE1" <-> "OE2" Residue "C PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 5": "OD1" <-> "OD2" Residue "C ASP 17": "OD1" <-> "OD2" Residue "C ASP 24": "OD1" <-> "OD2" Residue "C GLU 30": "OE1" <-> "OE2" Residue "C ASP 35": "OD1" <-> "OD2" Residue "C ASP 39": "OD1" <-> "OD2" Residue "C GLU 53": "OE1" <-> "OE2" Residue "C GLU 54": "OE1" <-> "OE2" Residue "C GLU 84": "OE1" <-> "OE2" Residue "C GLU 89": "OE1" <-> "OE2" Residue "C ASP 99": "OD1" <-> "OD2" Residue "C GLU 116": "OE1" <-> "OE2" Residue "C GLU 126": "OE1" <-> "OE2" Residue "C PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 169": "OE1" <-> "OE2" Residue "C GLU 201": "OE1" <-> "OE2" Residue "E PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 5": "OD1" <-> "OD2" Residue "E ASP 17": "OD1" <-> "OD2" Residue "E GLU 23": "OE1" <-> "OE2" Residue "E GLU 26": "OE1" <-> "OE2" Residue "E GLU 38": "OE1" <-> "OE2" Residue "E GLU 54": "OE1" <-> "OE2" Residue "E GLU 72": "OE1" <-> "OE2" Residue "E ASP 73": "OD1" <-> "OD2" Residue "E GLU 84": "OE1" <-> "OE2" Residue "E GLU 89": "OE1" <-> "OE2" Residue "E ASP 99": "OD1" <-> "OD2" Residue "E TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 126": "OE1" <-> "OE2" Residue "E GLU 131": "OE1" <-> "OE2" Residue "E GLU 151": "OE1" <-> "OE2" Residue "E GLU 169": "OE1" <-> "OE2" Residue "E GLU 172": "OE1" <-> "OE2" Residue "E ASP 177": "OD1" <-> "OD2" Residue "E GLU 179": "OE1" <-> "OE2" Residue "E GLU 187": "OE1" <-> "OE2" Residue "E PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 194": "OE1" <-> "OE2" Residue "E ASP 208": "OD1" <-> "OD2" Residue "F GLU 23": "OE1" <-> "OE2" Residue "F ASP 24": "OD1" <-> "OD2" Residue "F GLU 26": "OE1" <-> "OE2" Residue "F GLU 30": "OE1" <-> "OE2" Residue "F ASP 35": "OD1" <-> "OD2" Residue "F GLU 53": "OE1" <-> "OE2" Residue "F ASP 64": "OD1" <-> "OD2" Residue "F GLU 72": "OE1" <-> "OE2" Residue "F GLU 89": "OE1" <-> "OE2" Residue "F ASP 99": "OD1" <-> "OD2" Residue "F GLU 126": "OE1" <-> "OE2" Residue "F GLU 131": "OE1" <-> "OE2" Residue "F PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 177": "OD1" <-> "OD2" Residue "F GLU 187": "OE1" <-> "OE2" Residue "F PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 5": "OD1" <-> "OD2" Residue "A ASP 24": "OD1" <-> "OD2" Residue "A GLU 26": "OE1" <-> "OE2" Residue "A ASP 39": "OD1" <-> "OD2" Residue "A GLU 53": "OE1" <-> "OE2" Residue "A GLU 54": "OE1" <-> "OE2" Residue "A GLU 67": "OE1" <-> "OE2" Residue "A GLU 84": "OE1" <-> "OE2" Residue "A TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 172": "OE1" <-> "OE2" Residue "A PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 201": "OE1" <-> "OE2" Residue "A GLU 209": "OE1" <-> "OE2" Residue "B ASP 5": "OD1" <-> "OD2" Residue "B ASP 24": "OD1" <-> "OD2" Residue "B GLU 67": "OE1" <-> "OE2" Residue "B GLU 72": "OE1" <-> "OE2" Residue "B GLU 89": "OE1" <-> "OE2" Residue "B TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 116": "OE1" <-> "OE2" Residue "B GLU 169": "OE1" <-> "OE2" Residue "B ARG 170": "NH1" <-> "NH2" Residue "B GLU 172": "OE1" <-> "OE2" Residue "B GLU 179": "OE1" <-> "OE2" Residue "B PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 201": "OE1" <-> "OE2" Residue "B GLU 207": "OE1" <-> "OE2" Residue "B ASP 208": "OD1" <-> "OD2" Residue "B GLU 209": "OE1" <-> "OE2" Residue "G PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 5": "OD1" <-> "OD2" Residue "G GLU 23": "OE1" <-> "OE2" Residue "G GLU 38": "OE1" <-> "OE2" Residue "G ASP 39": "OD1" <-> "OD2" Residue "G GLU 53": "OE1" <-> "OE2" Residue "G GLU 54": "OE1" <-> "OE2" Residue "G GLU 58": "OE1" <-> "OE2" Residue "G ARG 60": "NH1" <-> "NH2" Residue "G GLU 67": "OE1" <-> "OE2" Residue "G ARG 93": "NH1" <-> "NH2" Residue "G GLU 116": "OE1" <-> "OE2" Residue "G GLU 126": "OE1" <-> "OE2" Residue "G GLU 151": "OE1" <-> "OE2" Residue "G PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 169": "OE1" <-> "OE2" Residue "G GLU 172": "OE1" <-> "OE2" Residue "G ASP 177": "OD1" <-> "OD2" Residue "G GLU 187": "OE1" <-> "OE2" Residue "G GLU 207": "OE1" <-> "OE2" Residue "H PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 5": "OD1" <-> "OD2" Residue "H ASP 17": "OD1" <-> "OD2" Residue "H ASP 24": "OD1" <-> "OD2" Residue "H GLU 30": "OE1" <-> "OE2" Residue "H ASP 35": "OD1" <-> "OD2" Residue "H ASP 39": "OD1" <-> "OD2" Residue "H GLU 53": "OE1" <-> "OE2" Residue "H GLU 54": "OE1" <-> "OE2" Residue "H GLU 84": "OE1" <-> "OE2" Residue "H GLU 89": "OE1" <-> "OE2" Residue "H ASP 99": "OD1" <-> "OD2" Residue "H GLU 116": "OE1" <-> "OE2" Residue "H GLU 126": "OE1" <-> "OE2" Residue "H PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 169": "OE1" <-> "OE2" Residue "H GLU 201": "OE1" <-> "OE2" Residue "I PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 5": "OD1" <-> "OD2" Residue "I ASP 17": "OD1" <-> "OD2" Residue "I GLU 23": "OE1" <-> "OE2" Residue "I GLU 26": "OE1" <-> "OE2" Residue "I GLU 38": "OE1" <-> "OE2" Residue "I GLU 54": "OE1" <-> "OE2" Residue "I GLU 72": "OE1" <-> "OE2" Residue "I ASP 73": "OD1" <-> "OD2" Residue "I GLU 84": "OE1" <-> "OE2" Residue "I GLU 89": "OE1" <-> "OE2" Residue "I ASP 99": "OD1" <-> "OD2" Residue "I TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 126": "OE1" <-> "OE2" Residue "I GLU 131": "OE1" <-> "OE2" Residue "I GLU 151": "OE1" <-> "OE2" Residue "I GLU 169": "OE1" <-> "OE2" Residue "I GLU 172": "OE1" <-> "OE2" Residue "I ASP 177": "OD1" <-> "OD2" Residue "I GLU 179": "OE1" <-> "OE2" Residue "I GLU 187": "OE1" <-> "OE2" Residue "I PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 194": "OE1" <-> "OE2" Residue "I ASP 208": "OD1" <-> "OD2" Residue "J GLU 23": "OE1" <-> "OE2" Residue "J ASP 24": "OD1" <-> "OD2" Residue "J GLU 26": "OE1" <-> "OE2" Residue "J GLU 30": "OE1" <-> "OE2" Residue "J ASP 35": "OD1" <-> "OD2" Residue "J GLU 53": "OE1" <-> "OE2" Residue "J ASP 64": "OD1" <-> "OD2" Residue "J GLU 72": "OE1" <-> "OE2" Residue "J GLU 89": "OE1" <-> "OE2" Residue "J ASP 99": "OD1" <-> "OD2" Residue "J GLU 126": "OE1" <-> "OE2" Residue "J GLU 131": "OE1" <-> "OE2" Residue "J PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 177": "OD1" <-> "OD2" Residue "J GLU 187": "OE1" <-> "OE2" Residue "J PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 5": "OD1" <-> "OD2" Residue "K ASP 24": "OD1" <-> "OD2" Residue "K GLU 26": "OE1" <-> "OE2" Residue "K ASP 39": "OD1" <-> "OD2" Residue "K GLU 53": "OE1" <-> "OE2" Residue "K GLU 54": "OE1" <-> "OE2" Residue "K GLU 67": "OE1" <-> "OE2" Residue "K GLU 84": "OE1" <-> "OE2" Residue "K TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 172": "OE1" <-> "OE2" Residue "K PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 201": "OE1" <-> "OE2" Residue "K GLU 209": "OE1" <-> "OE2" Residue "L ASP 5": "OD1" <-> "OD2" Residue "L ASP 24": "OD1" <-> "OD2" Residue "L GLU 67": "OE1" <-> "OE2" Residue "L GLU 72": "OE1" <-> "OE2" Residue "L GLU 89": "OE1" <-> "OE2" Residue "L TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 116": "OE1" <-> "OE2" Residue "L GLU 169": "OE1" <-> "OE2" Residue "L ARG 170": "NH1" <-> "NH2" Residue "L GLU 172": "OE1" <-> "OE2" Residue "L GLU 179": "OE1" <-> "OE2" Residue "L PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 201": "OE1" <-> "OE2" Residue "L GLU 207": "OE1" <-> "OE2" Residue "L ASP 208": "OD1" <-> "OD2" Residue "L GLU 209": "OE1" <-> "OE2" Residue "M PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 5": "OD1" <-> "OD2" Residue "M GLU 23": "OE1" <-> "OE2" Residue "M GLU 38": "OE1" <-> "OE2" Residue "M ASP 39": "OD1" <-> "OD2" Residue "M GLU 53": "OE1" <-> "OE2" Residue "M GLU 54": "OE1" <-> "OE2" Residue "M GLU 58": "OE1" <-> "OE2" Residue "M ARG 60": "NH1" <-> "NH2" Residue "M GLU 67": "OE1" <-> "OE2" Residue "M ARG 93": "NH1" <-> "NH2" Residue "M GLU 116": "OE1" <-> "OE2" Residue "M GLU 126": "OE1" <-> "OE2" Residue "M GLU 151": "OE1" <-> "OE2" Residue "M PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 169": "OE1" <-> "OE2" Residue "M GLU 172": "OE1" <-> "OE2" Residue "M ASP 177": "OD1" <-> "OD2" Residue "M GLU 187": "OE1" <-> "OE2" Residue "M GLU 207": "OE1" <-> "OE2" Residue "N PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 5": "OD1" <-> "OD2" Residue "N ASP 17": "OD1" <-> "OD2" Residue "N ASP 24": "OD1" <-> "OD2" Residue "N GLU 30": "OE1" <-> "OE2" Residue "N ASP 35": "OD1" <-> "OD2" Residue "N ASP 39": "OD1" <-> "OD2" Residue "N GLU 53": "OE1" <-> "OE2" Residue "N GLU 54": "OE1" <-> "OE2" Residue "N GLU 84": "OE1" <-> "OE2" Residue "N GLU 89": "OE1" <-> "OE2" Residue "N ASP 99": "OD1" <-> "OD2" Residue "N GLU 116": "OE1" <-> "OE2" Residue "N GLU 126": "OE1" <-> "OE2" Residue "N PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 169": "OE1" <-> "OE2" Residue "N GLU 201": "OE1" <-> "OE2" Residue "O PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 5": "OD1" <-> "OD2" Residue "O ASP 17": "OD1" <-> "OD2" Residue "O GLU 23": "OE1" <-> "OE2" Residue "O GLU 26": "OE1" <-> "OE2" Residue "O GLU 38": "OE1" <-> "OE2" Residue "O GLU 54": "OE1" <-> "OE2" Residue "O GLU 72": "OE1" <-> "OE2" Residue "O ASP 73": "OD1" <-> "OD2" Residue "O GLU 84": "OE1" <-> "OE2" Residue "O GLU 89": "OE1" <-> "OE2" Residue "O ASP 99": "OD1" <-> "OD2" Residue "O TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 126": "OE1" <-> "OE2" Residue "O GLU 131": "OE1" <-> "OE2" Residue "O GLU 151": "OE1" <-> "OE2" Residue "O GLU 169": "OE1" <-> "OE2" Residue "O GLU 172": "OE1" <-> "OE2" Residue "O ASP 177": "OD1" <-> "OD2" Residue "O GLU 179": "OE1" <-> "OE2" Residue "O GLU 187": "OE1" <-> "OE2" Residue "O PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 194": "OE1" <-> "OE2" Residue "O ASP 208": "OD1" <-> "OD2" Residue "P GLU 23": "OE1" <-> "OE2" Residue "P ASP 24": "OD1" <-> "OD2" Residue "P GLU 26": "OE1" <-> "OE2" Residue "P GLU 30": "OE1" <-> "OE2" Residue "P ASP 35": "OD1" <-> "OD2" Residue "P GLU 53": "OE1" <-> "OE2" Residue "P ASP 64": "OD1" <-> "OD2" Residue "P GLU 72": "OE1" <-> "OE2" Residue "P GLU 89": "OE1" <-> "OE2" Residue "P ASP 99": "OD1" <-> "OD2" Residue "P GLU 126": "OE1" <-> "OE2" Residue "P GLU 131": "OE1" <-> "OE2" Residue "P PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 177": "OD1" <-> "OD2" Residue "P GLU 187": "OE1" <-> "OE2" Residue "P PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 5": "OD1" <-> "OD2" Residue "Q ASP 24": "OD1" <-> "OD2" Residue "Q GLU 26": "OE1" <-> "OE2" Residue "Q ASP 39": "OD1" <-> "OD2" Residue "Q GLU 53": "OE1" <-> "OE2" Residue "Q GLU 54": "OE1" <-> "OE2" Residue "Q GLU 67": "OE1" <-> "OE2" Residue "Q GLU 84": "OE1" <-> "OE2" Residue "Q TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 172": "OE1" <-> "OE2" Residue "Q PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 201": "OE1" <-> "OE2" Residue "Q GLU 209": "OE1" <-> "OE2" Residue "R ASP 5": "OD1" <-> "OD2" Residue "R ASP 24": "OD1" <-> "OD2" Residue "R GLU 67": "OE1" <-> "OE2" Residue "R GLU 72": "OE1" <-> "OE2" Residue "R GLU 89": "OE1" <-> "OE2" Residue "R TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 116": "OE1" <-> "OE2" Residue "R GLU 169": "OE1" <-> "OE2" Residue "R ARG 170": "NH1" <-> "NH2" Residue "R GLU 172": "OE1" <-> "OE2" Residue "R GLU 179": "OE1" <-> "OE2" Residue "R PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 201": "OE1" <-> "OE2" Residue "R GLU 207": "OE1" <-> "OE2" Residue "R ASP 208": "OD1" <-> "OD2" Residue "R GLU 209": "OE1" <-> "OE2" Residue "S PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 5": "OD1" <-> "OD2" Residue "S GLU 23": "OE1" <-> "OE2" Residue "S GLU 38": "OE1" <-> "OE2" Residue "S ASP 39": "OD1" <-> "OD2" Residue "S GLU 53": "OE1" <-> "OE2" Residue "S GLU 54": "OE1" <-> "OE2" Residue "S GLU 58": "OE1" <-> "OE2" Residue "S ARG 60": "NH1" <-> "NH2" Residue "S GLU 67": "OE1" <-> "OE2" Residue "S ARG 93": "NH1" <-> "NH2" Residue "S GLU 116": "OE1" <-> "OE2" Residue "S GLU 126": "OE1" <-> "OE2" Residue "S GLU 151": "OE1" <-> "OE2" Residue "S PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 169": "OE1" <-> "OE2" Residue "S GLU 172": "OE1" <-> "OE2" Residue "S ASP 177": "OD1" <-> "OD2" Residue "S GLU 187": "OE1" <-> "OE2" Residue "S GLU 207": "OE1" <-> "OE2" Residue "T PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 5": "OD1" <-> "OD2" Residue "T ASP 17": "OD1" <-> "OD2" Residue "T ASP 24": "OD1" <-> "OD2" Residue "T GLU 30": "OE1" <-> "OE2" Residue "T ASP 35": "OD1" <-> "OD2" Residue "T ASP 39": "OD1" <-> "OD2" Residue "T GLU 53": "OE1" <-> "OE2" Residue "T GLU 54": "OE1" <-> "OE2" Residue "T GLU 84": "OE1" <-> "OE2" Residue "T GLU 89": "OE1" <-> "OE2" Residue "T ASP 99": "OD1" <-> "OD2" Residue "T GLU 116": "OE1" <-> "OE2" Residue "T GLU 126": "OE1" <-> "OE2" Residue "T PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 169": "OE1" <-> "OE2" Residue "T GLU 201": "OE1" <-> "OE2" Residue "U PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 5": "OD1" <-> "OD2" Residue "U ASP 17": "OD1" <-> "OD2" Residue "U GLU 23": "OE1" <-> "OE2" Residue "U GLU 26": "OE1" <-> "OE2" Residue "U GLU 38": "OE1" <-> "OE2" Residue "U GLU 54": "OE1" <-> "OE2" Residue "U GLU 72": "OE1" <-> "OE2" Residue "U ASP 73": "OD1" <-> "OD2" Residue "U GLU 84": "OE1" <-> "OE2" Residue "U GLU 89": "OE1" <-> "OE2" Residue "U ASP 99": "OD1" <-> "OD2" Residue "U TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 126": "OE1" <-> "OE2" Residue "U GLU 131": "OE1" <-> "OE2" Residue "U GLU 151": "OE1" <-> "OE2" Residue "U GLU 169": "OE1" <-> "OE2" Residue "U GLU 172": "OE1" <-> "OE2" Residue "U ASP 177": "OD1" <-> "OD2" Residue "U GLU 179": "OE1" <-> "OE2" Residue "U GLU 187": "OE1" <-> "OE2" Residue "U PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 194": "OE1" <-> "OE2" Residue "U ASP 208": "OD1" <-> "OD2" Residue "V GLU 23": "OE1" <-> "OE2" Residue "V ASP 24": "OD1" <-> "OD2" Residue "V GLU 26": "OE1" <-> "OE2" Residue "V GLU 30": "OE1" <-> "OE2" Residue "V ASP 35": "OD1" <-> "OD2" Residue "V GLU 53": "OE1" <-> "OE2" Residue "V ASP 64": "OD1" <-> "OD2" Residue "V GLU 72": "OE1" <-> "OE2" Residue "V GLU 89": "OE1" <-> "OE2" Residue "V ASP 99": "OD1" <-> "OD2" Residue "V GLU 126": "OE1" <-> "OE2" Residue "V GLU 131": "OE1" <-> "OE2" Residue "V PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 177": "OD1" <-> "OD2" Residue "V GLU 187": "OE1" <-> "OE2" Residue "V PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ASP 5": "OD1" <-> "OD2" Residue "W ASP 24": "OD1" <-> "OD2" Residue "W GLU 26": "OE1" <-> "OE2" Residue "W ASP 39": "OD1" <-> "OD2" Residue "W GLU 53": "OE1" <-> "OE2" Residue "W GLU 54": "OE1" <-> "OE2" Residue "W GLU 67": "OE1" <-> "OE2" Residue "W GLU 84": "OE1" <-> "OE2" Residue "W TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 172": "OE1" <-> "OE2" Residue "W PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 201": "OE1" <-> "OE2" Residue "W GLU 209": "OE1" <-> "OE2" Residue "X ASP 5": "OD1" <-> "OD2" Residue "X ASP 24": "OD1" <-> "OD2" Residue "X GLU 67": "OE1" <-> "OE2" Residue "X GLU 72": "OE1" <-> "OE2" Residue "X GLU 89": "OE1" <-> "OE2" Residue "X TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 116": "OE1" <-> "OE2" Residue "X GLU 169": "OE1" <-> "OE2" Residue "X ARG 170": "NH1" <-> "NH2" Residue "X GLU 172": "OE1" <-> "OE2" Residue "X GLU 179": "OE1" <-> "OE2" Residue "X PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 201": "OE1" <-> "OE2" Residue "X GLU 207": "OE1" <-> "OE2" Residue "X ASP 208": "OD1" <-> "OD2" Residue "X GLU 209": "OE1" <-> "OE2" Residue "Y PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 5": "OD1" <-> "OD2" Residue "Y GLU 23": "OE1" <-> "OE2" Residue "Y GLU 38": "OE1" <-> "OE2" Residue "Y ASP 39": "OD1" <-> "OD2" Residue "Y GLU 53": "OE1" <-> "OE2" Residue "Y GLU 54": "OE1" <-> "OE2" Residue "Y GLU 58": "OE1" <-> "OE2" Residue "Y ARG 60": "NH1" <-> "NH2" Residue "Y GLU 67": "OE1" <-> "OE2" Residue "Y ARG 93": "NH1" <-> "NH2" Residue "Y GLU 116": "OE1" <-> "OE2" Residue "Y GLU 126": "OE1" <-> "OE2" Residue "Y GLU 151": "OE1" <-> "OE2" Residue "Y PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 169": "OE1" <-> "OE2" Residue "Y GLU 172": "OE1" <-> "OE2" Residue "Y ASP 177": "OD1" <-> "OD2" Residue "Y GLU 187": "OE1" <-> "OE2" Residue "Y GLU 207": "OE1" <-> "OE2" Residue "Z PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 5": "OD1" <-> "OD2" Residue "Z ASP 17": "OD1" <-> "OD2" Residue "Z ASP 24": "OD1" <-> "OD2" Residue "Z GLU 30": "OE1" <-> "OE2" Residue "Z ASP 35": "OD1" <-> "OD2" Residue "Z ASP 39": "OD1" <-> "OD2" Residue "Z GLU 53": "OE1" <-> "OE2" Residue "Z GLU 54": "OE1" <-> "OE2" Residue "Z GLU 84": "OE1" <-> "OE2" Residue "Z GLU 89": "OE1" <-> "OE2" Residue "Z ASP 99": "OD1" <-> "OD2" Residue "Z GLU 116": "OE1" <-> "OE2" Residue "Z GLU 126": "OE1" <-> "OE2" Residue "Z PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 169": "OE1" <-> "OE2" Residue "Z GLU 201": "OE1" <-> "OE2" Residue "0 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 5": "OD1" <-> "OD2" Residue "0 ASP 17": "OD1" <-> "OD2" Residue "0 GLU 23": "OE1" <-> "OE2" Residue "0 GLU 26": "OE1" <-> "OE2" Residue "0 GLU 38": "OE1" <-> "OE2" Residue "0 GLU 54": "OE1" <-> "OE2" Residue "0 GLU 72": "OE1" <-> "OE2" Residue "0 ASP 73": "OD1" <-> "OD2" Residue "0 GLU 84": "OE1" <-> "OE2" Residue "0 GLU 89": "OE1" <-> "OE2" Residue "0 ASP 99": "OD1" <-> "OD2" Residue "0 TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 126": "OE1" <-> "OE2" Residue "0 GLU 131": "OE1" <-> "OE2" Residue "0 GLU 151": "OE1" <-> "OE2" Residue "0 GLU 169": "OE1" <-> "OE2" Residue "0 GLU 172": "OE1" <-> "OE2" Residue "0 ASP 177": "OD1" <-> "OD2" Residue "0 GLU 179": "OE1" <-> "OE2" Residue "0 GLU 187": "OE1" <-> "OE2" Residue "0 PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 194": "OE1" <-> "OE2" Residue "0 ASP 208": "OD1" <-> "OD2" Residue "1 GLU 23": "OE1" <-> "OE2" Residue "1 ASP 24": "OD1" <-> "OD2" Residue "1 GLU 26": "OE1" <-> "OE2" Residue "1 GLU 30": "OE1" <-> "OE2" Residue "1 ASP 35": "OD1" <-> "OD2" Residue "1 GLU 53": "OE1" <-> "OE2" Residue "1 ASP 64": "OD1" <-> "OD2" Residue "1 GLU 72": "OE1" <-> "OE2" Residue "1 GLU 89": "OE1" <-> "OE2" Residue "1 ASP 99": "OD1" <-> "OD2" Residue "1 GLU 126": "OE1" <-> "OE2" Residue "1 GLU 131": "OE1" <-> "OE2" Residue "1 PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 177": "OD1" <-> "OD2" Residue "1 GLU 187": "OE1" <-> "OE2" Residue "1 PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 5": "OD1" <-> "OD2" Residue "2 ASP 24": "OD1" <-> "OD2" Residue "2 GLU 26": "OE1" <-> "OE2" Residue "2 ASP 39": "OD1" <-> "OD2" Residue "2 GLU 53": "OE1" <-> "OE2" Residue "2 GLU 54": "OE1" <-> "OE2" Residue "2 GLU 67": "OE1" <-> "OE2" Residue "2 GLU 84": "OE1" <-> "OE2" Residue "2 TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 172": "OE1" <-> "OE2" Residue "2 PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 201": "OE1" <-> "OE2" Residue "2 GLU 209": "OE1" <-> "OE2" Residue "3 ASP 5": "OD1" <-> "OD2" Residue "3 ASP 24": "OD1" <-> "OD2" Residue "3 GLU 67": "OE1" <-> "OE2" Residue "3 GLU 72": "OE1" <-> "OE2" Residue "3 GLU 89": "OE1" <-> "OE2" Residue "3 TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 116": "OE1" <-> "OE2" Residue "3 GLU 169": "OE1" <-> "OE2" Residue "3 ARG 170": "NH1" <-> "NH2" Residue "3 GLU 172": "OE1" <-> "OE2" Residue "3 GLU 179": "OE1" <-> "OE2" Residue "3 PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 201": "OE1" <-> "OE2" Residue "3 GLU 207": "OE1" <-> "OE2" Residue "3 ASP 208": "OD1" <-> "OD2" Residue "3 GLU 209": "OE1" <-> "OE2" Residue "4 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 5": "OD1" <-> "OD2" Residue "4 GLU 23": "OE1" <-> "OE2" Residue "4 GLU 38": "OE1" <-> "OE2" Residue "4 ASP 39": "OD1" <-> "OD2" Residue "4 GLU 53": "OE1" <-> "OE2" Residue "4 GLU 54": "OE1" <-> "OE2" Residue "4 GLU 58": "OE1" <-> "OE2" Residue "4 ARG 60": "NH1" <-> "NH2" Residue "4 GLU 67": "OE1" <-> "OE2" Residue "4 ARG 93": "NH1" <-> "NH2" Residue "4 GLU 116": "OE1" <-> "OE2" Residue "4 GLU 126": "OE1" <-> "OE2" Residue "4 GLU 151": "OE1" <-> "OE2" Residue "4 PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 169": "OE1" <-> "OE2" Residue "4 GLU 172": "OE1" <-> "OE2" Residue "4 ASP 177": "OD1" <-> "OD2" Residue "4 GLU 187": "OE1" <-> "OE2" Residue "4 GLU 207": "OE1" <-> "OE2" Residue "5 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 5": "OD1" <-> "OD2" Residue "5 ASP 17": "OD1" <-> "OD2" Residue "5 ASP 24": "OD1" <-> "OD2" Residue "5 GLU 30": "OE1" <-> "OE2" Residue "5 ASP 35": "OD1" <-> "OD2" Residue "5 ASP 39": "OD1" <-> "OD2" Residue "5 GLU 53": "OE1" <-> "OE2" Residue "5 GLU 54": "OE1" <-> "OE2" Residue "5 GLU 84": "OE1" <-> "OE2" Residue "5 GLU 89": "OE1" <-> "OE2" Residue "5 ASP 99": "OD1" <-> "OD2" Residue "5 GLU 116": "OE1" <-> "OE2" Residue "5 GLU 126": "OE1" <-> "OE2" Residue "5 PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 169": "OE1" <-> "OE2" Residue "5 GLU 201": "OE1" <-> "OE2" Residue "6 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ASP 5": "OD1" <-> "OD2" Residue "6 ASP 17": "OD1" <-> "OD2" Residue "6 GLU 23": "OE1" <-> "OE2" Residue "6 GLU 26": "OE1" <-> "OE2" Residue "6 GLU 38": "OE1" <-> "OE2" Residue "6 GLU 54": "OE1" <-> "OE2" Residue "6 GLU 72": "OE1" <-> "OE2" Residue "6 ASP 73": "OD1" <-> "OD2" Residue "6 GLU 84": "OE1" <-> "OE2" Residue "6 GLU 89": "OE1" <-> "OE2" Residue "6 ASP 99": "OD1" <-> "OD2" Residue "6 TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 126": "OE1" <-> "OE2" Residue "6 GLU 131": "OE1" <-> "OE2" Residue "6 GLU 151": "OE1" <-> "OE2" Residue "6 GLU 169": "OE1" <-> "OE2" Residue "6 GLU 172": "OE1" <-> "OE2" Residue "6 ASP 177": "OD1" <-> "OD2" Residue "6 GLU 179": "OE1" <-> "OE2" Residue "6 GLU 187": "OE1" <-> "OE2" Residue "6 PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 194": "OE1" <-> "OE2" Residue "6 ASP 208": "OD1" <-> "OD2" Residue "7 GLU 23": "OE1" <-> "OE2" Residue "7 ASP 24": "OD1" <-> "OD2" Residue "7 GLU 26": "OE1" <-> "OE2" Residue "7 GLU 30": "OE1" <-> "OE2" Residue "7 ASP 35": "OD1" <-> "OD2" Residue "7 GLU 53": "OE1" <-> "OE2" Residue "7 ASP 64": "OD1" <-> "OD2" Residue "7 GLU 72": "OE1" <-> "OE2" Residue "7 GLU 89": "OE1" <-> "OE2" Residue "7 ASP 99": "OD1" <-> "OD2" Residue "7 GLU 126": "OE1" <-> "OE2" Residue "7 GLU 131": "OE1" <-> "OE2" Residue "7 PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 177": "OD1" <-> "OD2" Residue "7 GLU 187": "OE1" <-> "OE2" Residue "7 PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ASP 5": "OD1" <-> "OD2" Residue "8 ASP 24": "OD1" <-> "OD2" Residue "8 GLU 26": "OE1" <-> "OE2" Residue "8 ASP 39": "OD1" <-> "OD2" Residue "8 GLU 53": "OE1" <-> "OE2" Residue "8 GLU 54": "OE1" <-> "OE2" Residue "8 GLU 67": "OE1" <-> "OE2" Residue "8 GLU 84": "OE1" <-> "OE2" Residue "8 TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 172": "OE1" <-> "OE2" Residue "8 PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 201": "OE1" <-> "OE2" Residue "8 GLU 209": "OE1" <-> "OE2" Residue "9 ASP 5": "OD1" <-> "OD2" Residue "9 ASP 24": "OD1" <-> "OD2" Residue "9 GLU 67": "OE1" <-> "OE2" Residue "9 GLU 72": "OE1" <-> "OE2" Residue "9 GLU 89": "OE1" <-> "OE2" Residue "9 TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 116": "OE1" <-> "OE2" Residue "9 GLU 169": "OE1" <-> "OE2" Residue "9 ARG 170": "NH1" <-> "NH2" Residue "9 GLU 172": "OE1" <-> "OE2" Residue "9 GLU 179": "OE1" <-> "OE2" Residue "9 PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 201": "OE1" <-> "OE2" Residue "9 GLU 207": "OE1" <-> "OE2" Residue "9 ASP 208": "OD1" <-> "OD2" Residue "9 GLU 209": "OE1" <-> "OE2" Residue "a PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 5": "OD1" <-> "OD2" Residue "a GLU 23": "OE1" <-> "OE2" Residue "a GLU 38": "OE1" <-> "OE2" Residue "a ASP 39": "OD1" <-> "OD2" Residue "a GLU 53": "OE1" <-> "OE2" Residue "a GLU 54": "OE1" <-> "OE2" Residue "a GLU 58": "OE1" <-> "OE2" Residue "a ARG 60": "NH1" <-> "NH2" Residue "a GLU 67": "OE1" <-> "OE2" Residue "a ARG 93": "NH1" <-> "NH2" Residue "a GLU 116": "OE1" <-> "OE2" Residue "a GLU 126": "OE1" <-> "OE2" Residue "a GLU 151": "OE1" <-> "OE2" Residue "a PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 169": "OE1" <-> "OE2" Residue "a GLU 172": "OE1" <-> "OE2" Residue "a ASP 177": "OD1" <-> "OD2" Residue "a GLU 187": "OE1" <-> "OE2" Residue "a GLU 207": "OE1" <-> "OE2" Residue "b PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 5": "OD1" <-> "OD2" Residue "b ASP 17": "OD1" <-> "OD2" Residue "b ASP 24": "OD1" <-> "OD2" Residue "b GLU 30": "OE1" <-> "OE2" Residue "b ASP 35": "OD1" <-> "OD2" Residue "b ASP 39": "OD1" <-> "OD2" Residue "b GLU 53": "OE1" <-> "OE2" Residue "b GLU 54": "OE1" <-> "OE2" Residue "b GLU 84": "OE1" <-> "OE2" Residue "b GLU 89": "OE1" <-> "OE2" Residue "b ASP 99": "OD1" <-> "OD2" Residue "b GLU 116": "OE1" <-> "OE2" Residue "b GLU 126": "OE1" <-> "OE2" Residue "b PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 169": "OE1" <-> "OE2" Residue "b GLU 201": "OE1" <-> "OE2" Residue "c PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 5": "OD1" <-> "OD2" Residue "c ASP 17": "OD1" <-> "OD2" Residue "c GLU 23": "OE1" <-> "OE2" Residue "c GLU 26": "OE1" <-> "OE2" Residue "c GLU 38": "OE1" <-> "OE2" Residue "c GLU 54": "OE1" <-> "OE2" Residue "c GLU 72": "OE1" <-> "OE2" Residue "c ASP 73": "OD1" <-> "OD2" Residue "c GLU 84": "OE1" <-> "OE2" Residue "c GLU 89": "OE1" <-> "OE2" Residue "c ASP 99": "OD1" <-> "OD2" Residue "c TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 126": "OE1" <-> "OE2" Residue "c GLU 131": "OE1" <-> "OE2" Residue "c GLU 151": "OE1" <-> "OE2" Residue "c GLU 169": "OE1" <-> "OE2" Residue "c GLU 172": "OE1" <-> "OE2" Residue "c ASP 177": "OD1" <-> "OD2" Residue "c GLU 179": "OE1" <-> "OE2" Residue "c GLU 187": "OE1" <-> "OE2" Residue "c PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 194": "OE1" <-> "OE2" Residue "c ASP 208": "OD1" <-> "OD2" Residue "d GLU 23": "OE1" <-> "OE2" Residue "d ASP 24": "OD1" <-> "OD2" Residue "d GLU 26": "OE1" <-> "OE2" Residue "d GLU 30": "OE1" <-> "OE2" Residue "d ASP 35": "OD1" <-> "OD2" Residue "d GLU 53": "OE1" <-> "OE2" Residue "d ASP 64": "OD1" <-> "OD2" Residue "d GLU 72": "OE1" <-> "OE2" Residue "d GLU 89": "OE1" <-> "OE2" Residue "d ASP 99": "OD1" <-> "OD2" Residue "d GLU 126": "OE1" <-> "OE2" Residue "d GLU 131": "OE1" <-> "OE2" Residue "d PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 177": "OD1" <-> "OD2" Residue "d GLU 187": "OE1" <-> "OE2" Residue "d PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 5": "OD1" <-> "OD2" Residue "e ASP 24": "OD1" <-> "OD2" Residue "e GLU 26": "OE1" <-> "OE2" Residue "e ASP 39": "OD1" <-> "OD2" Residue "e GLU 53": "OE1" <-> "OE2" Residue "e GLU 54": "OE1" <-> "OE2" Residue "e GLU 67": "OE1" <-> "OE2" Residue "e GLU 84": "OE1" <-> "OE2" Residue "e TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 172": "OE1" <-> "OE2" Residue "e PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 201": "OE1" <-> "OE2" Residue "e GLU 209": "OE1" <-> "OE2" Residue "f ASP 5": "OD1" <-> "OD2" Residue "f ASP 24": "OD1" <-> "OD2" Residue "f GLU 67": "OE1" <-> "OE2" Residue "f GLU 72": "OE1" <-> "OE2" Residue "f GLU 89": "OE1" <-> "OE2" Residue "f TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 116": "OE1" <-> "OE2" Residue "f GLU 169": "OE1" <-> "OE2" Residue "f ARG 170": "NH1" <-> "NH2" Residue "f GLU 172": "OE1" <-> "OE2" Residue "f GLU 179": "OE1" <-> "OE2" Residue "f PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 201": "OE1" <-> "OE2" Residue "f GLU 207": "OE1" <-> "OE2" Residue "f ASP 208": "OD1" <-> "OD2" Residue "f GLU 209": "OE1" <-> "OE2" Residue "g PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 5": "OD1" <-> "OD2" Residue "g GLU 23": "OE1" <-> "OE2" Residue "g GLU 38": "OE1" <-> "OE2" Residue "g ASP 39": "OD1" <-> "OD2" Residue "g GLU 53": "OE1" <-> "OE2" Residue "g GLU 54": "OE1" <-> "OE2" Residue "g GLU 58": "OE1" <-> "OE2" Residue "g ARG 60": "NH1" <-> "NH2" Residue "g GLU 67": "OE1" <-> "OE2" Residue "g ARG 93": "NH1" <-> "NH2" Residue "g GLU 116": "OE1" <-> "OE2" Residue "g GLU 126": "OE1" <-> "OE2" Residue "g GLU 151": "OE1" <-> "OE2" Residue "g PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 169": "OE1" <-> "OE2" Residue "g GLU 172": "OE1" <-> "OE2" Residue "g ASP 177": "OD1" <-> "OD2" Residue "g GLU 187": "OE1" <-> "OE2" Residue "g GLU 207": "OE1" <-> "OE2" Residue "h PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 5": "OD1" <-> "OD2" Residue "h ASP 17": "OD1" <-> "OD2" Residue "h ASP 24": "OD1" <-> "OD2" Residue "h GLU 30": "OE1" <-> "OE2" Residue "h ASP 35": "OD1" <-> "OD2" Residue "h ASP 39": "OD1" <-> "OD2" Residue "h GLU 53": "OE1" <-> "OE2" Residue "h GLU 54": "OE1" <-> "OE2" Residue "h GLU 84": "OE1" <-> "OE2" Residue "h GLU 89": "OE1" <-> "OE2" Residue "h ASP 99": "OD1" <-> "OD2" Residue "h GLU 116": "OE1" <-> "OE2" Residue "h GLU 126": "OE1" <-> "OE2" Residue "h PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 169": "OE1" <-> "OE2" Residue "h GLU 201": "OE1" <-> "OE2" Residue "i PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 5": "OD1" <-> "OD2" Residue "i ASP 17": "OD1" <-> "OD2" Residue "i GLU 23": "OE1" <-> "OE2" Residue "i GLU 26": "OE1" <-> "OE2" Residue "i GLU 38": "OE1" <-> "OE2" Residue "i GLU 54": "OE1" <-> "OE2" Residue "i GLU 72": "OE1" <-> "OE2" Residue "i ASP 73": "OD1" <-> "OD2" Residue "i GLU 84": "OE1" <-> "OE2" Residue "i GLU 89": "OE1" <-> "OE2" Residue "i ASP 99": "OD1" <-> "OD2" Residue "i TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 126": "OE1" <-> "OE2" Residue "i GLU 131": "OE1" <-> "OE2" Residue "i GLU 151": "OE1" <-> "OE2" Residue "i GLU 169": "OE1" <-> "OE2" Residue "i GLU 172": "OE1" <-> "OE2" Residue "i ASP 177": "OD1" <-> "OD2" Residue "i GLU 179": "OE1" <-> "OE2" Residue "i GLU 187": "OE1" <-> "OE2" Residue "i PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 194": "OE1" <-> "OE2" Residue "i ASP 208": "OD1" <-> "OD2" Residue "j GLU 23": "OE1" <-> "OE2" Residue "j ASP 24": "OD1" <-> "OD2" Residue "j GLU 26": "OE1" <-> "OE2" Residue "j GLU 30": "OE1" <-> "OE2" Residue "j ASP 35": "OD1" <-> "OD2" Residue "j GLU 53": "OE1" <-> "OE2" Residue "j ASP 64": "OD1" <-> "OD2" Residue "j GLU 72": "OE1" <-> "OE2" Residue "j GLU 89": "OE1" <-> "OE2" Residue "j ASP 99": "OD1" <-> "OD2" Residue "j GLU 126": "OE1" <-> "OE2" Residue "j GLU 131": "OE1" <-> "OE2" Residue "j PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 177": "OD1" <-> "OD2" Residue "j GLU 187": "OE1" <-> "OE2" Residue "j PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 5": "OD1" <-> "OD2" Residue "k ASP 24": "OD1" <-> "OD2" Residue "k GLU 26": "OE1" <-> "OE2" Residue "k ASP 39": "OD1" <-> "OD2" Residue "k GLU 53": "OE1" <-> "OE2" Residue "k GLU 54": "OE1" <-> "OE2" Residue "k GLU 67": "OE1" <-> "OE2" Residue "k GLU 84": "OE1" <-> "OE2" Residue "k TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 172": "OE1" <-> "OE2" Residue "k PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 201": "OE1" <-> "OE2" Residue "k GLU 209": "OE1" <-> "OE2" Residue "l ASP 5": "OD1" <-> "OD2" Residue "l ASP 24": "OD1" <-> "OD2" Residue "l GLU 67": "OE1" <-> "OE2" Residue "l GLU 72": "OE1" <-> "OE2" Residue "l GLU 89": "OE1" <-> "OE2" Residue "l TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 116": "OE1" <-> "OE2" Residue "l GLU 169": "OE1" <-> "OE2" Residue "l ARG 170": "NH1" <-> "NH2" Residue "l GLU 172": "OE1" <-> "OE2" Residue "l GLU 179": "OE1" <-> "OE2" Residue "l PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 201": "OE1" <-> "OE2" Residue "l GLU 207": "OE1" <-> "OE2" Residue "l ASP 208": "OD1" <-> "OD2" Residue "l GLU 209": "OE1" <-> "OE2" Residue "m PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ASP 5": "OD1" <-> "OD2" Residue "m GLU 23": "OE1" <-> "OE2" Residue "m GLU 38": "OE1" <-> "OE2" Residue "m ASP 39": "OD1" <-> "OD2" Residue "m GLU 53": "OE1" <-> "OE2" Residue "m GLU 54": "OE1" <-> "OE2" Residue "m GLU 58": "OE1" <-> "OE2" Residue "m ARG 60": "NH1" <-> "NH2" Residue "m GLU 67": "OE1" <-> "OE2" Residue "m ARG 93": "NH1" <-> "NH2" Residue "m GLU 116": "OE1" <-> "OE2" Residue "m GLU 126": "OE1" <-> "OE2" Residue "m GLU 151": "OE1" <-> "OE2" Residue "m PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 169": "OE1" <-> "OE2" Residue "m GLU 172": "OE1" <-> "OE2" Residue "m ASP 177": "OD1" <-> "OD2" Residue "m GLU 187": "OE1" <-> "OE2" Residue "m GLU 207": "OE1" <-> "OE2" Residue "n PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ASP 5": "OD1" <-> "OD2" Residue "n ASP 17": "OD1" <-> "OD2" Residue "n ASP 24": "OD1" <-> "OD2" Residue "n GLU 30": "OE1" <-> "OE2" Residue "n ASP 35": "OD1" <-> "OD2" Residue "n ASP 39": "OD1" <-> "OD2" Residue "n GLU 53": "OE1" <-> "OE2" Residue "n GLU 54": "OE1" <-> "OE2" Residue "n GLU 84": "OE1" <-> "OE2" Residue "n GLU 89": "OE1" <-> "OE2" Residue "n ASP 99": "OD1" <-> "OD2" Residue "n GLU 116": "OE1" <-> "OE2" Residue "n GLU 126": "OE1" <-> "OE2" Residue "n PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 169": "OE1" <-> "OE2" Residue "n GLU 201": "OE1" <-> "OE2" Residue "o PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ASP 5": "OD1" <-> "OD2" Residue "o ASP 17": "OD1" <-> "OD2" Residue "o GLU 23": "OE1" <-> "OE2" Residue "o GLU 26": "OE1" <-> "OE2" Residue "o GLU 38": "OE1" <-> "OE2" Residue "o GLU 54": "OE1" <-> "OE2" Residue "o GLU 72": "OE1" <-> "OE2" Residue "o ASP 73": "OD1" <-> "OD2" Residue "o GLU 84": "OE1" <-> "OE2" Residue "o GLU 89": "OE1" <-> "OE2" Residue "o ASP 99": "OD1" <-> "OD2" Residue "o TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 126": "OE1" <-> "OE2" Residue "o GLU 131": "OE1" <-> "OE2" Residue "o GLU 151": "OE1" <-> "OE2" Residue "o GLU 169": "OE1" <-> "OE2" Residue "o GLU 172": "OE1" <-> "OE2" Residue "o ASP 177": "OD1" <-> "OD2" Residue "o GLU 179": "OE1" <-> "OE2" Residue "o GLU 187": "OE1" <-> "OE2" Residue "o PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 194": "OE1" <-> "OE2" Residue "o ASP 208": "OD1" <-> "OD2" Residue "p GLU 23": "OE1" <-> "OE2" Residue "p ASP 24": "OD1" <-> "OD2" Residue "p GLU 26": "OE1" <-> "OE2" Residue "p GLU 30": "OE1" <-> "OE2" Residue "p ASP 35": "OD1" <-> "OD2" Residue "p GLU 53": "OE1" <-> "OE2" Residue "p ASP 64": "OD1" <-> "OD2" Residue "p GLU 72": "OE1" <-> "OE2" Residue "p GLU 89": "OE1" <-> "OE2" Residue "p ASP 99": "OD1" <-> "OD2" Residue "p GLU 126": "OE1" <-> "OE2" Residue "p GLU 131": "OE1" <-> "OE2" Residue "p PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ASP 177": "OD1" <-> "OD2" Residue "p GLU 187": "OE1" <-> "OE2" Residue "p PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 5": "OD1" <-> "OD2" Residue "q ASP 24": "OD1" <-> "OD2" Residue "q GLU 26": "OE1" <-> "OE2" Residue "q ASP 39": "OD1" <-> "OD2" Residue "q GLU 53": "OE1" <-> "OE2" Residue "q GLU 54": "OE1" <-> "OE2" Residue "q GLU 67": "OE1" <-> "OE2" Residue "q GLU 84": "OE1" <-> "OE2" Residue "q TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 172": "OE1" <-> "OE2" Residue "q PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 201": "OE1" <-> "OE2" Residue "q GLU 209": "OE1" <-> "OE2" Residue "r ASP 5": "OD1" <-> "OD2" Residue "r ASP 24": "OD1" <-> "OD2" Residue "r GLU 67": "OE1" <-> "OE2" Residue "r GLU 72": "OE1" <-> "OE2" Residue "r GLU 89": "OE1" <-> "OE2" Residue "r TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 116": "OE1" <-> "OE2" Residue "r GLU 169": "OE1" <-> "OE2" Residue "r ARG 170": "NH1" <-> "NH2" Residue "r GLU 172": "OE1" <-> "OE2" Residue "r GLU 179": "OE1" <-> "OE2" Residue "r PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 201": "OE1" <-> "OE2" Residue "r GLU 207": "OE1" <-> "OE2" Residue "r ASP 208": "OD1" <-> "OD2" Residue "r GLU 209": "OE1" <-> "OE2" Residue "s PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ASP 5": "OD1" <-> "OD2" Residue "s GLU 23": "OE1" <-> "OE2" Residue "s GLU 38": "OE1" <-> "OE2" Residue "s ASP 39": "OD1" <-> "OD2" Residue "s GLU 53": "OE1" <-> "OE2" Residue "s GLU 54": "OE1" <-> "OE2" Residue "s GLU 58": "OE1" <-> "OE2" Residue "s ARG 60": "NH1" <-> "NH2" Residue "s GLU 67": "OE1" <-> "OE2" Residue "s ARG 93": "NH1" <-> "NH2" Residue "s GLU 116": "OE1" <-> "OE2" Residue "s GLU 126": "OE1" <-> "OE2" Residue "s GLU 151": "OE1" <-> "OE2" Residue "s PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 169": "OE1" <-> "OE2" Residue "s GLU 172": "OE1" <-> "OE2" Residue "s ASP 177": "OD1" <-> "OD2" Residue "s GLU 187": "OE1" <-> "OE2" Residue "s GLU 207": "OE1" <-> "OE2" Residue "t PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 5": "OD1" <-> "OD2" Residue "t ASP 17": "OD1" <-> "OD2" Residue "t ASP 24": "OD1" <-> "OD2" Residue "t GLU 30": "OE1" <-> "OE2" Residue "t ASP 35": "OD1" <-> "OD2" Residue "t ASP 39": "OD1" <-> "OD2" Residue "t GLU 53": "OE1" <-> "OE2" Residue "t GLU 54": "OE1" <-> "OE2" Residue "t GLU 84": "OE1" <-> "OE2" Residue "t GLU 89": "OE1" <-> "OE2" Residue "t ASP 99": "OD1" <-> "OD2" Residue "t GLU 116": "OE1" <-> "OE2" Residue "t GLU 126": "OE1" <-> "OE2" Residue "t PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 169": "OE1" <-> "OE2" Residue "t GLU 201": "OE1" <-> "OE2" Residue "u PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 5": "OD1" <-> "OD2" Residue "u ASP 17": "OD1" <-> "OD2" Residue "u GLU 23": "OE1" <-> "OE2" Residue "u GLU 26": "OE1" <-> "OE2" Residue "u GLU 38": "OE1" <-> "OE2" Residue "u GLU 54": "OE1" <-> "OE2" Residue "u GLU 72": "OE1" <-> "OE2" Residue "u ASP 73": "OD1" <-> "OD2" Residue "u GLU 84": "OE1" <-> "OE2" Residue "u GLU 89": "OE1" <-> "OE2" Residue "u ASP 99": "OD1" <-> "OD2" Residue "u TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 126": "OE1" <-> "OE2" Residue "u GLU 131": "OE1" <-> "OE2" Residue "u GLU 151": "OE1" <-> "OE2" Residue "u GLU 169": "OE1" <-> "OE2" Residue "u GLU 172": "OE1" <-> "OE2" Residue "u ASP 177": "OD1" <-> "OD2" Residue "u GLU 179": "OE1" <-> "OE2" Residue "u GLU 187": "OE1" <-> "OE2" Residue "u PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 194": "OE1" <-> "OE2" Residue "u ASP 208": "OD1" <-> "OD2" Residue "v GLU 23": "OE1" <-> "OE2" Residue "v ASP 24": "OD1" <-> "OD2" Residue "v GLU 26": "OE1" <-> "OE2" Residue "v GLU 30": "OE1" <-> "OE2" Residue "v ASP 35": "OD1" <-> "OD2" Residue "v GLU 53": "OE1" <-> "OE2" Residue "v ASP 64": "OD1" <-> "OD2" Residue "v GLU 72": "OE1" <-> "OE2" Residue "v GLU 89": "OE1" <-> "OE2" Residue "v ASP 99": "OD1" <-> "OD2" Residue "v GLU 126": "OE1" <-> "OE2" Residue "v GLU 131": "OE1" <-> "OE2" Residue "v PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 177": "OD1" <-> "OD2" Residue "v GLU 187": "OE1" <-> "OE2" Residue "v PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ASP 5": "OD1" <-> "OD2" Residue "w ASP 24": "OD1" <-> "OD2" Residue "w GLU 26": "OE1" <-> "OE2" Residue "w ASP 39": "OD1" <-> "OD2" Residue "w GLU 53": "OE1" <-> "OE2" Residue "w GLU 54": "OE1" <-> "OE2" Residue "w GLU 67": "OE1" <-> "OE2" Residue "w GLU 84": "OE1" <-> "OE2" Residue "w TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 172": "OE1" <-> "OE2" Residue "w PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 201": "OE1" <-> "OE2" Residue "w GLU 209": "OE1" <-> "OE2" Residue "x ASP 5": "OD1" <-> "OD2" Residue "x ASP 24": "OD1" <-> "OD2" Residue "x GLU 67": "OE1" <-> "OE2" Residue "x GLU 72": "OE1" <-> "OE2" Residue "x GLU 89": "OE1" <-> "OE2" Residue "x TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 116": "OE1" <-> "OE2" Residue "x GLU 169": "OE1" <-> "OE2" Residue "x ARG 170": "NH1" <-> "NH2" Residue "x GLU 172": "OE1" <-> "OE2" Residue "x GLU 179": "OE1" <-> "OE2" Residue "x PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 201": "OE1" <-> "OE2" Residue "x GLU 207": "OE1" <-> "OE2" Residue "x ASP 208": "OD1" <-> "OD2" Residue "x GLU 209": "OE1" <-> "OE2" Residue "y PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ASP 5": "OD1" <-> "OD2" Residue "y GLU 23": "OE1" <-> "OE2" Residue "y GLU 38": "OE1" <-> "OE2" Residue "y ASP 39": "OD1" <-> "OD2" Residue "y GLU 53": "OE1" <-> "OE2" Residue "y GLU 54": "OE1" <-> "OE2" Residue "y GLU 58": "OE1" <-> "OE2" Residue "y ARG 60": "NH1" <-> "NH2" Residue "y GLU 67": "OE1" <-> "OE2" Residue "y ARG 93": "NH1" <-> "NH2" Residue "y GLU 116": "OE1" <-> "OE2" Residue "y GLU 126": "OE1" <-> "OE2" Residue "y GLU 151": "OE1" <-> "OE2" Residue "y PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y GLU 169": "OE1" <-> "OE2" Residue "y GLU 172": "OE1" <-> "OE2" Residue "y ASP 177": "OD1" <-> "OD2" Residue "y GLU 187": "OE1" <-> "OE2" Residue "y GLU 207": "OE1" <-> "OE2" Residue "z PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ASP 5": "OD1" <-> "OD2" Residue "z ASP 17": "OD1" <-> "OD2" Residue "z ASP 24": "OD1" <-> "OD2" Residue "z GLU 30": "OE1" <-> "OE2" Residue "z ASP 35": "OD1" <-> "OD2" Residue "z ASP 39": "OD1" <-> "OD2" Residue "z GLU 53": "OE1" <-> "OE2" Residue "z GLU 54": "OE1" <-> "OE2" Residue "z GLU 84": "OE1" <-> "OE2" Residue "z GLU 89": "OE1" <-> "OE2" Residue "z ASP 99": "OD1" <-> "OD2" Residue "z GLU 116": "OE1" <-> "OE2" Residue "z GLU 126": "OE1" <-> "OE2" Residue "z PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z GLU 169": "OE1" <-> "OE2" Residue "z GLU 201": "OE1" <-> "OE2" Residue "AA PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA ASP 5": "OD1" <-> "OD2" Residue "AA ASP 17": "OD1" <-> "OD2" Residue "AA GLU 23": "OE1" <-> "OE2" Residue "AA GLU 26": "OE1" <-> "OE2" Residue "AA GLU 38": "OE1" <-> "OE2" Residue "AA GLU 54": "OE1" <-> "OE2" Residue "AA GLU 72": "OE1" <-> "OE2" Residue "AA ASP 73": "OD1" <-> "OD2" Residue "AA GLU 84": "OE1" <-> "OE2" Residue "AA GLU 89": "OE1" <-> "OE2" Residue "AA ASP 99": "OD1" <-> "OD2" Residue "AA TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA GLU 126": "OE1" <-> "OE2" Residue "AA GLU 131": "OE1" <-> "OE2" Residue "AA GLU 151": "OE1" <-> "OE2" Residue "AA GLU 169": "OE1" <-> "OE2" Residue "AA GLU 172": "OE1" <-> "OE2" Residue "AA ASP 177": "OD1" <-> "OD2" Residue "AA GLU 179": "OE1" <-> "OE2" Residue "AA GLU 187": "OE1" <-> "OE2" Residue "AA PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA GLU 194": "OE1" <-> "OE2" Residue "AA ASP 208": "OD1" <-> "OD2" Residue "AB GLU 23": "OE1" <-> "OE2" Residue "AB ASP 24": "OD1" <-> "OD2" Residue "AB GLU 26": "OE1" <-> "OE2" Residue "AB GLU 30": "OE1" <-> "OE2" Residue "AB ASP 35": "OD1" <-> "OD2" Residue "AB GLU 53": "OE1" <-> "OE2" Residue "AB ASP 64": "OD1" <-> "OD2" Residue "AB GLU 72": "OE1" <-> "OE2" Residue "AB GLU 89": "OE1" <-> "OE2" Residue "AB ASP 99": "OD1" <-> "OD2" Residue "AB GLU 126": "OE1" <-> "OE2" Residue "AB GLU 131": "OE1" <-> "OE2" Residue "AB PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AB ASP 177": "OD1" <-> "OD2" Residue "AB GLU 187": "OE1" <-> "OE2" Residue "AB PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC ASP 5": "OD1" <-> "OD2" Residue "AC ASP 24": "OD1" <-> "OD2" Residue "AC GLU 26": "OE1" <-> "OE2" Residue "AC ASP 39": "OD1" <-> "OD2" Residue "AC GLU 53": "OE1" <-> "OE2" Residue "AC GLU 54": "OE1" <-> "OE2" Residue "AC GLU 67": "OE1" <-> "OE2" Residue "AC GLU 84": "OE1" <-> "OE2" Residue "AC TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC GLU 172": "OE1" <-> "OE2" Residue "AC PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC GLU 201": "OE1" <-> "OE2" Residue "AC GLU 209": "OE1" <-> "OE2" Residue "AD ASP 5": "OD1" <-> "OD2" Residue "AD ASP 24": "OD1" <-> "OD2" Residue "AD GLU 67": "OE1" <-> "OE2" Residue "AD GLU 72": "OE1" <-> "OE2" Residue "AD GLU 89": "OE1" <-> "OE2" Residue "AD TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AD GLU 116": "OE1" <-> "OE2" Residue "AD GLU 169": "OE1" <-> "OE2" Residue "AD ARG 170": "NH1" <-> "NH2" Residue "AD GLU 172": "OE1" <-> "OE2" Residue "AD GLU 179": "OE1" <-> "OE2" Residue "AD PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AD GLU 201": "OE1" <-> "OE2" Residue "AD GLU 207": "OE1" <-> "OE2" Residue "AD ASP 208": "OD1" <-> "OD2" Residue "AD GLU 209": "OE1" <-> "OE2" Residue "AE PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE ASP 5": "OD1" <-> "OD2" Residue "AE GLU 23": "OE1" <-> "OE2" Residue "AE GLU 38": "OE1" <-> "OE2" Residue "AE ASP 39": "OD1" <-> "OD2" Residue "AE GLU 53": "OE1" <-> "OE2" Residue "AE GLU 54": "OE1" <-> "OE2" Residue "AE GLU 58": "OE1" <-> "OE2" Residue "AE ARG 60": "NH1" <-> "NH2" Residue "AE GLU 67": "OE1" <-> "OE2" Residue "AE ARG 93": "NH1" <-> "NH2" Residue "AE GLU 116": "OE1" <-> "OE2" Residue "AE GLU 126": "OE1" <-> "OE2" Residue "AE GLU 151": "OE1" <-> "OE2" Residue "AE PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE GLU 169": "OE1" <-> "OE2" Residue "AE GLU 172": "OE1" <-> "OE2" Residue "AE ASP 177": "OD1" <-> "OD2" Residue "AE GLU 187": "OE1" <-> "OE2" Residue "AE GLU 207": "OE1" <-> "OE2" Residue "AF PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AF ASP 5": "OD1" <-> "OD2" Residue "AF ASP 17": "OD1" <-> "OD2" Residue "AF ASP 24": "OD1" <-> "OD2" Residue "AF GLU 30": "OE1" <-> "OE2" Residue "AF ASP 35": "OD1" <-> "OD2" Residue "AF ASP 39": "OD1" <-> "OD2" Residue "AF GLU 53": "OE1" <-> "OE2" Residue "AF GLU 54": "OE1" <-> "OE2" Residue "AF GLU 84": "OE1" <-> "OE2" Residue "AF GLU 89": "OE1" <-> "OE2" Residue "AF ASP 99": "OD1" <-> "OD2" Residue "AF GLU 116": "OE1" <-> "OE2" Residue "AF GLU 126": "OE1" <-> "OE2" Residue "AF PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AF GLU 169": "OE1" <-> "OE2" Residue "AF GLU 201": "OE1" <-> "OE2" Residue "AG PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG ASP 5": "OD1" <-> "OD2" Residue "AG ASP 17": "OD1" <-> "OD2" Residue "AG GLU 23": "OE1" <-> "OE2" Residue "AG GLU 26": "OE1" <-> "OE2" Residue "AG GLU 38": "OE1" <-> "OE2" Residue "AG GLU 54": "OE1" <-> "OE2" Residue "AG GLU 72": "OE1" <-> "OE2" Residue "AG ASP 73": "OD1" <-> "OD2" Residue "AG GLU 84": "OE1" <-> "OE2" Residue "AG GLU 89": "OE1" <-> "OE2" Residue "AG ASP 99": "OD1" <-> "OD2" Residue "AG TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG GLU 126": "OE1" <-> "OE2" Residue "AG GLU 131": "OE1" <-> "OE2" Residue "AG GLU 151": "OE1" <-> "OE2" Residue "AG GLU 169": "OE1" <-> "OE2" Residue "AG GLU 172": "OE1" <-> "OE2" Residue "AG ASP 177": "OD1" <-> "OD2" Residue "AG GLU 179": "OE1" <-> "OE2" Residue "AG GLU 187": "OE1" <-> "OE2" Residue "AG PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG GLU 194": "OE1" <-> "OE2" Residue "AG ASP 208": "OD1" <-> "OD2" Residue "AH GLU 23": "OE1" <-> "OE2" Residue "AH ASP 24": "OD1" <-> "OD2" Residue "AH GLU 26": "OE1" <-> "OE2" Residue "AH GLU 30": "OE1" <-> "OE2" Residue "AH ASP 35": "OD1" <-> "OD2" Residue "AH GLU 53": "OE1" <-> "OE2" Residue "AH ASP 64": "OD1" <-> "OD2" Residue "AH GLU 72": "OE1" <-> "OE2" Residue "AH GLU 89": "OE1" <-> "OE2" Residue "AH ASP 99": "OD1" <-> "OD2" Residue "AH GLU 126": "OE1" <-> "OE2" Residue "AH GLU 131": "OE1" <-> "OE2" Residue "AH PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AH ASP 177": "OD1" <-> "OD2" Residue "AH GLU 187": "OE1" <-> "OE2" Residue "AH PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI ASP 5": "OD1" <-> "OD2" Residue "AI ASP 24": "OD1" <-> "OD2" Residue "AI GLU 26": "OE1" <-> "OE2" Residue "AI ASP 39": "OD1" <-> "OD2" Residue "AI GLU 53": "OE1" <-> "OE2" Residue "AI GLU 54": "OE1" <-> "OE2" Residue "AI GLU 67": "OE1" <-> "OE2" Residue "AI GLU 84": "OE1" <-> "OE2" Residue "AI TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI GLU 172": "OE1" <-> "OE2" Residue "AI PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI GLU 201": "OE1" <-> "OE2" Residue "AI GLU 209": "OE1" <-> "OE2" Residue "AJ ASP 5": "OD1" <-> "OD2" Residue "AJ ASP 24": "OD1" <-> "OD2" Residue "AJ GLU 67": "OE1" <-> "OE2" Residue "AJ GLU 72": "OE1" <-> "OE2" Residue "AJ GLU 89": "OE1" <-> "OE2" Residue "AJ TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AJ GLU 116": "OE1" <-> "OE2" Residue "AJ GLU 169": "OE1" <-> "OE2" Residue "AJ ARG 170": "NH1" <-> "NH2" Residue "AJ GLU 172": "OE1" <-> "OE2" Residue "AJ GLU 179": "OE1" <-> "OE2" Residue "AJ PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AJ GLU 201": "OE1" <-> "OE2" Residue "AJ GLU 207": "OE1" <-> "OE2" Residue "AJ ASP 208": "OD1" <-> "OD2" Residue "AJ GLU 209": "OE1" <-> "OE2" Residue "AK PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK ASP 5": "OD1" <-> "OD2" Residue "AK GLU 23": "OE1" <-> "OE2" Residue "AK GLU 38": "OE1" <-> "OE2" Residue "AK ASP 39": "OD1" <-> "OD2" Residue "AK GLU 53": "OE1" <-> "OE2" Residue "AK GLU 54": "OE1" <-> "OE2" Residue "AK GLU 58": "OE1" <-> "OE2" Residue "AK ARG 60": "NH1" <-> "NH2" Residue "AK GLU 67": "OE1" <-> "OE2" Residue "AK ARG 93": "NH1" <-> "NH2" Residue "AK GLU 116": "OE1" <-> "OE2" Residue "AK GLU 126": "OE1" <-> "OE2" Residue "AK GLU 151": "OE1" <-> "OE2" Residue "AK PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK GLU 169": "OE1" <-> "OE2" Residue "AK GLU 172": "OE1" <-> "OE2" Residue "AK ASP 177": "OD1" <-> "OD2" Residue "AK GLU 187": "OE1" <-> "OE2" Residue "AK GLU 207": "OE1" <-> "OE2" Residue "AL PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AL ASP 5": "OD1" <-> "OD2" Residue "AL ASP 17": "OD1" <-> "OD2" Residue "AL ASP 24": "OD1" <-> "OD2" Residue "AL GLU 30": "OE1" <-> "OE2" Residue "AL ASP 35": "OD1" <-> "OD2" Residue "AL ASP 39": "OD1" <-> "OD2" Residue "AL GLU 53": "OE1" <-> "OE2" Residue "AL GLU 54": "OE1" <-> "OE2" Residue "AL GLU 84": "OE1" <-> "OE2" Residue "AL GLU 89": "OE1" <-> "OE2" Residue "AL ASP 99": "OD1" <-> "OD2" Residue "AL GLU 116": "OE1" <-> "OE2" Residue "AL GLU 126": "OE1" <-> "OE2" Residue "AL PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AL GLU 169": "OE1" <-> "OE2" Residue "AL GLU 201": "OE1" <-> "OE2" Residue "AM PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM ASP 5": "OD1" <-> "OD2" Residue "AM ASP 17": "OD1" <-> "OD2" Residue "AM GLU 23": "OE1" <-> "OE2" Residue "AM GLU 26": "OE1" <-> "OE2" Residue "AM GLU 38": "OE1" <-> "OE2" Residue "AM GLU 54": "OE1" <-> "OE2" Residue "AM GLU 72": "OE1" <-> "OE2" Residue "AM ASP 73": "OD1" <-> "OD2" Residue "AM GLU 84": "OE1" <-> "OE2" Residue "AM GLU 89": "OE1" <-> "OE2" Residue "AM ASP 99": "OD1" <-> "OD2" Residue "AM TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM GLU 126": "OE1" <-> "OE2" Residue "AM GLU 131": "OE1" <-> "OE2" Residue "AM GLU 151": "OE1" <-> "OE2" Residue "AM GLU 169": "OE1" <-> "OE2" Residue "AM GLU 172": "OE1" <-> "OE2" Residue "AM ASP 177": "OD1" <-> "OD2" Residue "AM GLU 179": "OE1" <-> "OE2" Residue "AM GLU 187": "OE1" <-> "OE2" Residue "AM PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM GLU 194": "OE1" <-> "OE2" Residue "AM ASP 208": "OD1" <-> "OD2" Residue "AN GLU 23": "OE1" <-> "OE2" Residue "AN ASP 24": "OD1" <-> "OD2" Residue "AN GLU 26": "OE1" <-> "OE2" Residue "AN GLU 30": "OE1" <-> "OE2" Residue "AN ASP 35": "OD1" <-> "OD2" Residue "AN GLU 53": "OE1" <-> "OE2" Residue "AN ASP 64": "OD1" <-> "OD2" Residue "AN GLU 72": "OE1" <-> "OE2" Residue "AN GLU 89": "OE1" <-> "OE2" Residue "AN ASP 99": "OD1" <-> "OD2" Residue "AN GLU 126": "OE1" <-> "OE2" Residue "AN GLU 131": "OE1" <-> "OE2" Residue "AN PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AN ASP 177": "OD1" <-> "OD2" Residue "AN GLU 187": "OE1" <-> "OE2" Residue "AN PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO ASP 5": "OD1" <-> "OD2" Residue "AO ASP 24": "OD1" <-> "OD2" Residue "AO GLU 26": "OE1" <-> "OE2" Residue "AO ASP 39": "OD1" <-> "OD2" Residue "AO GLU 53": "OE1" <-> "OE2" Residue "AO GLU 54": "OE1" <-> "OE2" Residue "AO GLU 67": "OE1" <-> "OE2" Residue "AO GLU 84": "OE1" <-> "OE2" Residue "AO TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO GLU 172": "OE1" <-> "OE2" Residue "AO PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO GLU 201": "OE1" <-> "OE2" Residue "AO GLU 209": "OE1" <-> "OE2" Residue "AP ASP 5": "OD1" <-> "OD2" Residue "AP ASP 24": "OD1" <-> "OD2" Residue "AP GLU 67": "OE1" <-> "OE2" Residue "AP GLU 72": "OE1" <-> "OE2" Residue "AP GLU 89": "OE1" <-> "OE2" Residue "AP TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AP GLU 116": "OE1" <-> "OE2" Residue "AP GLU 169": "OE1" <-> "OE2" Residue "AP ARG 170": "NH1" <-> "NH2" Residue "AP GLU 172": "OE1" <-> "OE2" Residue "AP GLU 179": "OE1" <-> "OE2" Residue "AP PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AP GLU 201": "OE1" <-> "OE2" Residue "AP GLU 207": "OE1" <-> "OE2" Residue "AP ASP 208": "OD1" <-> "OD2" Residue "AP GLU 209": "OE1" <-> "OE2" Residue "AQ PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ ASP 5": "OD1" <-> "OD2" Residue "AQ GLU 23": "OE1" <-> "OE2" Residue "AQ GLU 38": "OE1" <-> "OE2" Residue "AQ ASP 39": "OD1" <-> "OD2" Residue "AQ GLU 53": "OE1" <-> "OE2" Residue "AQ GLU 54": "OE1" <-> "OE2" Residue "AQ GLU 58": "OE1" <-> "OE2" Residue "AQ ARG 60": "NH1" <-> "NH2" Residue "AQ GLU 67": "OE1" <-> "OE2" Residue "AQ ARG 93": "NH1" <-> "NH2" Residue "AQ GLU 116": "OE1" <-> "OE2" Residue "AQ GLU 126": "OE1" <-> "OE2" Residue "AQ GLU 151": "OE1" <-> "OE2" Residue "AQ PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ GLU 169": "OE1" <-> "OE2" Residue "AQ GLU 172": "OE1" <-> "OE2" Residue "AQ ASP 177": "OD1" <-> "OD2" Residue "AQ GLU 187": "OE1" <-> "OE2" Residue "AQ GLU 207": "OE1" <-> "OE2" Residue "AR PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AR ASP 5": "OD1" <-> "OD2" Residue "AR ASP 17": "OD1" <-> "OD2" Residue "AR ASP 24": "OD1" <-> "OD2" Residue "AR GLU 30": "OE1" <-> "OE2" Residue "AR ASP 35": "OD1" <-> "OD2" Residue "AR ASP 39": "OD1" <-> "OD2" Residue "AR GLU 53": "OE1" <-> "OE2" Residue "AR GLU 54": "OE1" <-> "OE2" Residue "AR GLU 84": "OE1" <-> "OE2" Residue "AR GLU 89": "OE1" <-> "OE2" Residue "AR ASP 99": "OD1" <-> "OD2" Residue "AR GLU 116": "OE1" <-> "OE2" Residue "AR GLU 126": "OE1" <-> "OE2" Residue "AR PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AR GLU 169": "OE1" <-> "OE2" Residue "AR GLU 201": "OE1" <-> "OE2" Residue "AS PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS ASP 5": "OD1" <-> "OD2" Residue "AS ASP 17": "OD1" <-> "OD2" Residue "AS GLU 23": "OE1" <-> "OE2" Residue "AS GLU 26": "OE1" <-> "OE2" Residue "AS GLU 38": "OE1" <-> "OE2" Residue "AS GLU 54": "OE1" <-> "OE2" Residue "AS GLU 72": "OE1" <-> "OE2" Residue "AS ASP 73": "OD1" <-> "OD2" Residue "AS GLU 84": "OE1" <-> "OE2" Residue "AS GLU 89": "OE1" <-> "OE2" Residue "AS ASP 99": "OD1" <-> "OD2" Residue "AS TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS GLU 126": "OE1" <-> "OE2" Residue "AS GLU 131": "OE1" <-> "OE2" Residue "AS GLU 151": "OE1" <-> "OE2" Residue "AS GLU 169": "OE1" <-> "OE2" Residue "AS GLU 172": "OE1" <-> "OE2" Residue "AS ASP 177": "OD1" <-> "OD2" Residue "AS GLU 179": "OE1" <-> "OE2" Residue "AS GLU 187": "OE1" <-> "OE2" Residue "AS PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS GLU 194": "OE1" <-> "OE2" Residue "AS ASP 208": "OD1" <-> "OD2" Residue "AT GLU 23": "OE1" <-> "OE2" Residue "AT ASP 24": "OD1" <-> "OD2" Residue "AT GLU 26": "OE1" <-> "OE2" Residue "AT GLU 30": "OE1" <-> "OE2" Residue "AT ASP 35": "OD1" <-> "OD2" Residue "AT GLU 53": "OE1" <-> "OE2" Residue "AT ASP 64": "OD1" <-> "OD2" Residue "AT GLU 72": "OE1" <-> "OE2" Residue "AT GLU 89": "OE1" <-> "OE2" Residue "AT ASP 99": "OD1" <-> "OD2" Residue "AT GLU 126": "OE1" <-> "OE2" Residue "AT GLU 131": "OE1" <-> "OE2" Residue "AT PHE 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AT ASP 177": "OD1" <-> "OD2" Residue "AT GLU 187": "OE1" <-> "OE2" Residue "AT PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU ASP 5": "OD1" <-> "OD2" Residue "AU ASP 24": "OD1" <-> "OD2" Residue "AU GLU 26": "OE1" <-> "OE2" Residue "AU ASP 39": "OD1" <-> "OD2" Residue "AU GLU 53": "OE1" <-> "OE2" Residue "AU GLU 54": "OE1" <-> "OE2" Residue "AU GLU 67": "OE1" <-> "OE2" Residue "AU GLU 84": "OE1" <-> "OE2" Residue "AU TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU GLU 172": "OE1" <-> "OE2" Residue "AU PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU GLU 201": "OE1" <-> "OE2" Residue "AU GLU 209": "OE1" <-> "OE2" Residue "AV ASP 5": "OD1" <-> "OD2" Residue "AV ASP 24": "OD1" <-> "OD2" Residue "AV GLU 67": "OE1" <-> "OE2" Residue "AV GLU 72": "OE1" <-> "OE2" Residue "AV GLU 89": "OE1" <-> "OE2" Residue "AV TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AV GLU 116": "OE1" <-> "OE2" Residue "AV GLU 169": "OE1" <-> "OE2" Residue "AV ARG 170": "NH1" <-> "NH2" Residue "AV GLU 172": "OE1" <-> "OE2" Residue "AV GLU 179": "OE1" <-> "OE2" Residue "AV PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AV GLU 201": "OE1" <-> "OE2" Residue "AV GLU 207": "OE1" <-> "OE2" Residue "AV ASP 208": "OD1" <-> "OD2" Residue "AV GLU 209": "OE1" <-> "OE2" Time to flip residues: 0.35s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 138390 Number of models: 1 Model: "" Number of chains: 98 Chain: "D" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "C" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "E" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "F" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "A" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "B" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "A" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "G" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "H" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "I" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "J" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "K" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "L" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "K" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "M" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "N" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "O" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "P" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "Q" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "R" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "Q" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "S" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "T" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "U" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "V" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "W" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "X" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "W" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "Y" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "Z" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "0" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "1" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "2" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "3" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "2" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "4" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "5" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "6" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "7" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "8" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "9" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "8" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "a" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "b" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "c" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "d" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "e" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "f" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "e" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "g" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "h" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "i" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "j" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "k" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "l" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "k" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "m" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "n" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "o" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "p" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "q" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "r" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "q" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "s" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "t" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "u" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "v" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "w" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "x" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "w" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "y" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "z" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AA" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AB" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AC" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AD" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AC" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "AE" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AF" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AG" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AH" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AI" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AJ" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AI" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "AK" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AL" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AM" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AN" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AO" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AP" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AO" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "AQ" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AR" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AS" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AT" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AU" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AV" Number of atoms: 1643 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1643 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 1, 'TRANS': 212} Chain: "AU" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Time building chain proxies: 50.04, per 1000 atoms: 0.36 Number of scatterers: 138390 At special positions: 0 Unit cell: (303.75, 301.05, 201.15, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 5 Type Number sf(0) S 420 16.00 P 28 15.00 O 28196 8.00 N 25606 7.00 C 84140 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 Atom "HETATM69193 O5' ADP e 301 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0TMC O5' ADPAU 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM98848 O5' ADP w 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM29653 O5' ADP Q 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM79078 O5' ADP k 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM 9883 O5' ADP A 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM49423 O5' ADP 2 301 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0ED6 O5' ADPAI 301 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0LZR O5' ADPAO 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM59308 O5' ADP 8 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM19768 O5' ADP K 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM88963 O5' ADP q 301 .*. O " rejected from bonding due to valence issues. Atom "HETATMA06QL O5' ADPAC 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM39538 O5' ADP W 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM88963 O5' ADP q 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM19768 O5' ADP K 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM49423 O5' ADP 2 301 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0ED6 O5' ADPAI 301 .*. O " rejected from bonding due to valence issues. Atom "HETATMA06QL O5' ADPAC 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM39538 O5' ADP W 301 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0TMC O5' ADPAU 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM69193 O5' ADP e 301 .*. O " rejected from bonding due to valence issues. Atom "HETATMA0LZR O5' ADPAO 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM59308 O5' ADP 8 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM79078 O5' ADP k 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM 9883 O5' ADP A 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM29653 O5' ADP Q 301 .*. O " rejected from bonding due to valence issues. Atom "HETATM98848 O5' ADP w 301 .*. O " rejected from bonding due to valence issues. Number of custom bonds: simple=14, symmetry=0 Number of additional bonds: simple=14, symmetry=0 Coordination: Other bonds: Time building additional restraints: 40.90 Conformation dependent library (CDL) restraints added in 18.6 seconds 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 34440 Finding SS restraints... Warning!!! ksdssp method is not applicable for structures that cannot fit in PDB format. Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 434 helices and 0 sheets defined 96.3% alpha, 0.0% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 28.95 Creating SS restraints... Processing helix chain 'D' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALA D 22 " --> pdb=" O LEU D 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASP D 24 " --> pdb=" O SER D 20 " (cutoff:3.500A) Processing helix chain 'D' and resid 25 through 82 removed outlier: 4.024A pdb=" N LEU D 29 " --> pdb=" O PRO D 25 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N GLU D 30 " --> pdb=" O GLU D 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLN D 31 " --> pdb=" O LYS D 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA D 32 " --> pdb=" O VAL D 28 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VAL D 33 " --> pdb=" O LEU D 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THR D 50 " --> pdb=" O ALA D 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLU D 53 " --> pdb=" O ARG D 49 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS D 55 " --> pdb=" O ILE D 51 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ASP D 64 " --> pdb=" O ARG D 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU D 77 " --> pdb=" O ASP D 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA D 78 " --> pdb=" O ARG D 74 " (cutoff:3.500A) Processing helix chain 'D' and resid 83 through 157 removed outlier: 4.001A pdb=" N GLU D 116 " --> pdb=" O ARG D 112 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ASN D 117 " --> pdb=" O THR D 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYS D 128 " --> pdb=" O ALA D 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALA D 141 " --> pdb=" O ASN D 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG D 142 " --> pdb=" O MET D 138 " (cutoff:3.500A) Processing helix chain 'D' and resid 163 through 190 removed outlier: 4.405A pdb=" N ARG D 170 " --> pdb=" O SER D 166 " (cutoff:3.500A) Processing helix chain 'D' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALA D 198 " --> pdb=" O GLU D 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN D 199 " --> pdb=" O ASN D 195 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLY D 205 " --> pdb=" O GLU D 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL D 206 " --> pdb=" O ALA D 202 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU D 207 " --> pdb=" O SER D 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEU D 210 " --> pdb=" O VAL D 206 " (cutoff:3.500A) Processing helix chain 'G' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALA G 22 " --> pdb=" O LEU G 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASP G 24 " --> pdb=" O SER G 20 " (cutoff:3.500A) Processing helix chain 'G' and resid 25 through 82 removed outlier: 4.024A pdb=" N LEU G 29 " --> pdb=" O PRO G 25 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N GLU G 30 " --> pdb=" O GLU G 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLN G 31 " --> pdb=" O LYS G 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA G 32 " --> pdb=" O VAL G 28 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VAL G 33 " --> pdb=" O LEU G 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THR G 50 " --> pdb=" O ALA G 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLU G 53 " --> pdb=" O ARG G 49 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS G 55 " --> pdb=" O ILE G 51 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ASP G 64 " --> pdb=" O ARG G 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU G 77 " --> pdb=" O ASP G 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA G 78 " --> pdb=" O ARG G 74 " (cutoff:3.500A) Processing helix chain 'G' and resid 83 through 157 removed outlier: 4.001A pdb=" N GLU G 116 " --> pdb=" O ARG G 112 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ASN G 117 " --> pdb=" O THR G 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYS G 128 " --> pdb=" O ALA G 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALA G 141 " --> pdb=" O ASN G 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG G 142 " --> pdb=" O MET G 138 " (cutoff:3.500A) Processing helix chain 'G' and resid 163 through 190 removed outlier: 4.405A pdb=" N ARG G 170 " --> pdb=" O SER G 166 " (cutoff:3.500A) Processing helix chain 'G' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALA G 198 " --> pdb=" O GLU G 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN G 199 " --> pdb=" O ASN G 195 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLY G 205 " --> pdb=" O GLU G 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL G 206 " --> pdb=" O ALA G 202 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU G 207 " --> pdb=" O SER G 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEU G 210 " --> pdb=" O VAL G 206 " (cutoff:3.500A) Processing helix chain 'M' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALA M 22 " --> pdb=" O LEU M 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASP M 24 " --> pdb=" O SER M 20 " (cutoff:3.500A) Processing helix chain 'M' and resid 25 through 82 removed outlier: 4.024A pdb=" N LEU M 29 " --> pdb=" O PRO M 25 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N GLU M 30 " --> pdb=" O GLU M 26 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N GLN M 31 " --> pdb=" O LYS M 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA M 32 " --> pdb=" O VAL M 28 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VAL M 33 " --> pdb=" O LEU M 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THR M 50 " --> pdb=" O ALA M 46 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N GLU M 53 " --> pdb=" O ARG M 49 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS M 55 " --> pdb=" O ILE M 51 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ASP M 64 " --> pdb=" O ARG M 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU M 77 " --> pdb=" O ASP M 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA M 78 " --> pdb=" O ARG M 74 " (cutoff:3.500A) Processing helix chain 'M' and resid 83 through 157 removed outlier: 4.000A pdb=" N GLU M 116 " --> pdb=" O ARG M 112 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ASN M 117 " --> pdb=" O THR M 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYS M 128 " --> pdb=" O ALA M 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALA M 141 " --> pdb=" O ASN M 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG M 142 " --> pdb=" O MET M 138 " (cutoff:3.500A) Processing helix chain 'M' and resid 163 through 190 removed outlier: 4.404A pdb=" N ARG M 170 " --> pdb=" O SER M 166 " (cutoff:3.500A) Processing helix chain 'M' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALA M 198 " --> pdb=" O GLU M 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN M 199 " --> pdb=" O ASN M 195 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY M 205 " --> pdb=" O GLU M 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL M 206 " --> pdb=" O ALA M 202 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU M 207 " --> pdb=" O SER M 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEU M 210 " --> pdb=" O VAL M 206 " (cutoff:3.500A) Processing helix chain 'S' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALA S 22 " --> pdb=" O LEU S 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASP S 24 " --> pdb=" O SER S 20 " (cutoff:3.500A) Processing helix chain 'S' and resid 25 through 82 removed outlier: 4.024A pdb=" N LEU S 29 " --> pdb=" O PRO S 25 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N GLU S 30 " --> pdb=" O GLU S 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLN S 31 " --> pdb=" O LYS S 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA S 32 " --> pdb=" O VAL S 28 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VAL S 33 " --> pdb=" O LEU S 29 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N THR S 50 " --> pdb=" O ALA S 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLU S 53 " --> pdb=" O ARG S 49 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS S 55 " --> pdb=" O ILE S 51 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ASP S 64 " --> pdb=" O ARG S 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU S 77 " --> pdb=" O ASP S 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA S 78 " --> pdb=" O ARG S 74 " (cutoff:3.500A) Processing helix chain 'S' and resid 83 through 157 removed outlier: 4.001A pdb=" N GLU S 116 " --> pdb=" O ARG S 112 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ASN S 117 " --> pdb=" O THR S 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYS S 128 " --> pdb=" O ALA S 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALA S 141 " --> pdb=" O ASN S 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG S 142 " --> pdb=" O MET S 138 " (cutoff:3.500A) Processing helix chain 'S' and resid 163 through 190 removed outlier: 4.404A pdb=" N ARG S 170 " --> pdb=" O SER S 166 " (cutoff:3.500A) Processing helix chain 'S' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALA S 198 " --> pdb=" O GLU S 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN S 199 " --> pdb=" O ASN S 195 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLY S 205 " --> pdb=" O GLU S 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL S 206 " --> pdb=" O ALA S 202 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU S 207 " --> pdb=" O SER S 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEU S 210 " --> pdb=" O VAL S 206 " (cutoff:3.500A) Processing helix chain 'Y' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALA Y 22 " --> pdb=" O LEU Y 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASP Y 24 " --> pdb=" O SER Y 20 " (cutoff:3.500A) Processing helix chain 'Y' and resid 25 through 82 removed outlier: 4.025A pdb=" N LEU Y 29 " --> pdb=" O PRO Y 25 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N GLU Y 30 " --> pdb=" O GLU Y 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLN Y 31 " --> pdb=" O LYS Y 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA Y 32 " --> pdb=" O VAL Y 28 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL Y 33 " --> pdb=" O LEU Y 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THR Y 50 " --> pdb=" O ALA Y 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLU Y 53 " --> pdb=" O ARG Y 49 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS Y 55 " --> pdb=" O ILE Y 51 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ASP Y 64 " --> pdb=" O ARG Y 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU Y 77 " --> pdb=" O ASP Y 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA Y 78 " --> pdb=" O ARG Y 74 " (cutoff:3.500A) Processing helix chain 'Y' and resid 83 through 157 removed outlier: 4.001A pdb=" N GLU Y 116 " --> pdb=" O ARG Y 112 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ASN Y 117 " --> pdb=" O THR Y 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYS Y 128 " --> pdb=" O ALA Y 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALA Y 141 " --> pdb=" O ASN Y 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG Y 142 " --> pdb=" O MET Y 138 " (cutoff:3.500A) Processing helix chain 'Y' and resid 163 through 190 removed outlier: 4.406A pdb=" N ARG Y 170 " --> pdb=" O SER Y 166 " (cutoff:3.500A) Processing helix chain 'Y' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALA Y 198 " --> pdb=" O GLU Y 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN Y 199 " --> pdb=" O ASN Y 195 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLY Y 205 " --> pdb=" O GLU Y 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL Y 206 " --> pdb=" O ALA Y 202 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU Y 207 " --> pdb=" O SER Y 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEU Y 210 " --> pdb=" O VAL Y 206 " (cutoff:3.500A) Processing helix chain '4' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALA 4 22 " --> pdb=" O LEU 4 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASP 4 24 " --> pdb=" O SER 4 20 " (cutoff:3.500A) Processing helix chain '4' and resid 25 through 82 removed outlier: 4.025A pdb=" N LEU 4 29 " --> pdb=" O PRO 4 25 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N GLU 4 30 " --> pdb=" O GLU 4 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLN 4 31 " --> pdb=" O LYS 4 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA 4 32 " --> pdb=" O VAL 4 28 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VAL 4 33 " --> pdb=" O LEU 4 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THR 4 50 " --> pdb=" O ALA 4 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLU 4 53 " --> pdb=" O ARG 4 49 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS 4 55 " --> pdb=" O ILE 4 51 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ASP 4 64 " --> pdb=" O ARG 4 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU 4 77 " --> pdb=" O ASP 4 73 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ALA 4 78 " --> pdb=" O ARG 4 74 " (cutoff:3.500A) Processing helix chain '4' and resid 83 through 157 removed outlier: 4.002A pdb=" N GLU 4 116 " --> pdb=" O ARG 4 112 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ASN 4 117 " --> pdb=" O THR 4 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYS 4 128 " --> pdb=" O ALA 4 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALA 4 141 " --> pdb=" O ASN 4 137 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N ARG 4 142 " --> pdb=" O MET 4 138 " (cutoff:3.500A) Processing helix chain '4' and resid 163 through 190 removed outlier: 4.404A pdb=" N ARG 4 170 " --> pdb=" O SER 4 166 " (cutoff:3.500A) Processing helix chain '4' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALA 4 198 " --> pdb=" O GLU 4 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN 4 199 " --> pdb=" O ASN 4 195 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLY 4 205 " --> pdb=" O GLU 4 201 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VAL 4 206 " --> pdb=" O ALA 4 202 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU 4 207 " --> pdb=" O SER 4 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEU 4 210 " --> pdb=" O VAL 4 206 " (cutoff:3.500A) Processing helix chain 'a' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALA a 22 " --> pdb=" O LEU a 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASP a 24 " --> pdb=" O SER a 20 " (cutoff:3.500A) Processing helix chain 'a' and resid 25 through 82 removed outlier: 4.024A pdb=" N LEU a 29 " --> pdb=" O PRO a 25 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N GLU a 30 " --> pdb=" O GLU a 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLN a 31 " --> pdb=" O LYS a 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA a 32 " --> pdb=" O VAL a 28 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL a 33 " --> pdb=" O LEU a 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THR a 50 " --> pdb=" O ALA a 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLU a 53 " --> pdb=" O ARG a 49 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS a 55 " --> pdb=" O ILE a 51 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ASP a 64 " --> pdb=" O ARG a 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU a 77 " --> pdb=" O ASP a 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA a 78 " --> pdb=" O ARG a 74 " (cutoff:3.500A) Processing helix chain 'a' and resid 83 through 157 removed outlier: 4.001A pdb=" N GLU a 116 " --> pdb=" O ARG a 112 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ASN a 117 " --> pdb=" O THR a 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYS a 128 " --> pdb=" O ALA a 124 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N ALA a 141 " --> pdb=" O ASN a 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG a 142 " --> pdb=" O MET a 138 " (cutoff:3.500A) Processing helix chain 'a' and resid 163 through 190 removed outlier: 4.404A pdb=" N ARG a 170 " --> pdb=" O SER a 166 " (cutoff:3.500A) Processing helix chain 'a' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALA a 198 " --> pdb=" O GLU a 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN a 199 " --> pdb=" O ASN a 195 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY a 205 " --> pdb=" O GLU a 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL a 206 " --> pdb=" O ALA a 202 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU a 207 " --> pdb=" O SER a 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEU a 210 " --> pdb=" O VAL a 206 " (cutoff:3.500A) Processing helix chain 'g' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALA g 22 " --> pdb=" O LEU g 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASP g 24 " --> pdb=" O SER g 20 " (cutoff:3.500A) Processing helix chain 'g' and resid 25 through 82 removed outlier: 4.024A pdb=" N LEU g 29 " --> pdb=" O PRO g 25 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N GLU g 30 " --> pdb=" O GLU g 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLN g 31 " --> pdb=" O LYS g 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA g 32 " --> pdb=" O VAL g 28 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VAL g 33 " --> pdb=" O LEU g 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THR g 50 " --> pdb=" O ALA g 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLU g 53 " --> pdb=" O ARG g 49 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS g 55 " --> pdb=" O ILE g 51 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ASP g 64 " --> pdb=" O ARG g 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU g 77 " --> pdb=" O ASP g 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA g 78 " --> pdb=" O ARG g 74 " (cutoff:3.500A) Processing helix chain 'g' and resid 83 through 157 removed outlier: 4.001A pdb=" N GLU g 116 " --> pdb=" O ARG g 112 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ASN g 117 " --> pdb=" O THR g 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYS g 128 " --> pdb=" O ALA g 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALA g 141 " --> pdb=" O ASN g 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG g 142 " --> pdb=" O MET g 138 " (cutoff:3.500A) Processing helix chain 'g' and resid 163 through 190 removed outlier: 4.405A pdb=" N ARG g 170 " --> pdb=" O SER g 166 " (cutoff:3.500A) Processing helix chain 'g' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALA g 198 " --> pdb=" O GLU g 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN g 199 " --> pdb=" O ASN g 195 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLY g 205 " --> pdb=" O GLU g 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL g 206 " --> pdb=" O ALA g 202 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU g 207 " --> pdb=" O SER g 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEU g 210 " --> pdb=" O VAL g 206 " (cutoff:3.500A) Processing helix chain 'm' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALA m 22 " --> pdb=" O LEU m 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASP m 24 " --> pdb=" O SER m 20 " (cutoff:3.500A) Processing helix chain 'm' and resid 25 through 82 removed outlier: 4.024A pdb=" N LEU m 29 " --> pdb=" O PRO m 25 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N GLU m 30 " --> pdb=" O GLU m 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLN m 31 " --> pdb=" O LYS m 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA m 32 " --> pdb=" O VAL m 28 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VAL m 33 " --> pdb=" O LEU m 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THR m 50 " --> pdb=" O ALA m 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLU m 53 " --> pdb=" O ARG m 49 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS m 55 " --> pdb=" O ILE m 51 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ASP m 64 " --> pdb=" O ARG m 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU m 77 " --> pdb=" O ASP m 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA m 78 " --> pdb=" O ARG m 74 " (cutoff:3.500A) Processing helix chain 'm' and resid 83 through 157 removed outlier: 4.001A pdb=" N GLU m 116 " --> pdb=" O ARG m 112 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ASN m 117 " --> pdb=" O THR m 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYS m 128 " --> pdb=" O ALA m 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALA m 141 " --> pdb=" O ASN m 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG m 142 " --> pdb=" O MET m 138 " (cutoff:3.500A) Processing helix chain 'm' and resid 163 through 190 removed outlier: 4.405A pdb=" N ARG m 170 " --> pdb=" O SER m 166 " (cutoff:3.500A) Processing helix chain 'm' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALA m 198 " --> pdb=" O GLU m 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN m 199 " --> pdb=" O ASN m 195 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLY m 205 " --> pdb=" O GLU m 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL m 206 " --> pdb=" O ALA m 202 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU m 207 " --> pdb=" O SER m 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEU m 210 " --> pdb=" O VAL m 206 " (cutoff:3.500A) Processing helix chain 's' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALA s 22 " --> pdb=" O LEU s 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASP s 24 " --> pdb=" O SER s 20 " (cutoff:3.500A) Processing helix chain 's' and resid 25 through 82 removed outlier: 4.024A pdb=" N LEU s 29 " --> pdb=" O PRO s 25 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N GLU s 30 " --> pdb=" O GLU s 26 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N GLN s 31 " --> pdb=" O LYS s 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA s 32 " --> pdb=" O VAL s 28 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VAL s 33 " --> pdb=" O LEU s 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THR s 50 " --> pdb=" O ALA s 46 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N GLU s 53 " --> pdb=" O ARG s 49 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYS s 55 " --> pdb=" O ILE s 51 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ASP s 64 " --> pdb=" O ARG s 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU s 77 " --> pdb=" O ASP s 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA s 78 " --> pdb=" O ARG s 74 " (cutoff:3.500A) Processing helix chain 's' and resid 83 through 157 removed outlier: 4.000A pdb=" N GLU s 116 " --> pdb=" O ARG s 112 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ASN s 117 " --> pdb=" O THR s 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYS s 128 " --> pdb=" O ALA s 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALA s 141 " --> pdb=" O ASN s 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG s 142 " --> pdb=" O MET s 138 " (cutoff:3.500A) Processing helix chain 's' and resid 163 through 190 removed outlier: 4.404A pdb=" N ARG s 170 " --> pdb=" O SER s 166 " (cutoff:3.500A) Processing helix chain 's' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALA s 198 " --> pdb=" O GLU s 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN s 199 " --> pdb=" O ASN s 195 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLY s 205 " --> pdb=" O GLU s 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL s 206 " --> pdb=" O ALA s 202 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU s 207 " --> pdb=" O SER s 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEU s 210 " --> pdb=" O VAL s 206 " (cutoff:3.500A) Processing helix chain 'y' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALA y 22 " --> pdb=" O LEU y 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASP y 24 " --> pdb=" O SER y 20 " (cutoff:3.500A) Processing helix chain 'y' and resid 25 through 82 removed outlier: 4.024A pdb=" N LEU y 29 " --> pdb=" O PRO y 25 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N GLU y 30 " --> pdb=" O GLU y 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLN y 31 " --> pdb=" O LYS y 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALA y 32 " --> pdb=" O VAL y 28 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VAL y 33 " --> pdb=" O LEU y 29 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N THR y 50 " --> pdb=" O ALA y 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLU y 53 " --> pdb=" O ARG y 49 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS y 55 " --> pdb=" O ILE y 51 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ASP y 64 " --> pdb=" O ARG y 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU y 77 " --> pdb=" O ASP y 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA y 78 " --> pdb=" O ARG y 74 " (cutoff:3.500A) Processing helix chain 'y' and resid 83 through 157 removed outlier: 4.001A pdb=" N GLU y 116 " --> pdb=" O ARG y 112 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ASN y 117 " --> pdb=" O THR y 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYS y 128 " --> pdb=" O ALA y 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALA y 141 " --> pdb=" O ASN y 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG y 142 " --> pdb=" O MET y 138 " (cutoff:3.500A) Processing helix chain 'y' and resid 163 through 190 removed outlier: 4.404A pdb=" N ARG y 170 " --> pdb=" O SER y 166 " (cutoff:3.500A) Processing helix chain 'y' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALA y 198 " --> pdb=" O GLU y 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN y 199 " --> pdb=" O ASN y 195 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLY y 205 " --> pdb=" O GLU y 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VAL y 206 " --> pdb=" O ALA y 202 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU y 207 " --> pdb=" O SER y 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEU y 210 " --> pdb=" O VAL y 206 " (cutoff:3.500A) Processing helix chain 'AE' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALAAE 22 " --> pdb=" O LEUAE 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASPAE 24 " --> pdb=" O SERAE 20 " (cutoff:3.500A) Processing helix chain 'AE' and resid 25 through 82 removed outlier: 4.025A pdb=" N LEUAE 29 " --> pdb=" O PROAE 25 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N GLUAE 30 " --> pdb=" O GLUAE 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLNAE 31 " --> pdb=" O LYSAE 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALAAE 32 " --> pdb=" O VALAE 28 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VALAE 33 " --> pdb=" O LEUAE 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THRAE 50 " --> pdb=" O ALAAE 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLUAE 53 " --> pdb=" O ARGAE 49 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYSAE 55 " --> pdb=" O ILEAE 51 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ASPAE 64 " --> pdb=" O ARGAE 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEUAE 77 " --> pdb=" O ASPAE 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALAAE 78 " --> pdb=" O ARGAE 74 " (cutoff:3.500A) Processing helix chain 'AE' and resid 83 through 157 removed outlier: 4.001A pdb=" N GLUAE 116 " --> pdb=" O ARGAE 112 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ASNAE 117 " --> pdb=" O THRAE 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYSAE 128 " --> pdb=" O ALAAE 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALAAE 141 " --> pdb=" O ASNAE 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARGAE 142 " --> pdb=" O METAE 138 " (cutoff:3.500A) Processing helix chain 'AE' and resid 163 through 190 removed outlier: 4.406A pdb=" N ARGAE 170 " --> pdb=" O SERAE 166 " (cutoff:3.500A) Processing helix chain 'AE' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALAAE 198 " --> pdb=" O GLUAE 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLNAE 199 " --> pdb=" O ASNAE 195 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLYAE 205 " --> pdb=" O GLUAE 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VALAE 206 " --> pdb=" O ALAAE 202 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLUAE 207 " --> pdb=" O SERAE 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEUAE 210 " --> pdb=" O VALAE 206 " (cutoff:3.500A) Processing helix chain 'AK' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALAAK 22 " --> pdb=" O LEUAK 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASPAK 24 " --> pdb=" O SERAK 20 " (cutoff:3.500A) Processing helix chain 'AK' and resid 25 through 82 removed outlier: 4.025A pdb=" N LEUAK 29 " --> pdb=" O PROAK 25 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N GLUAK 30 " --> pdb=" O GLUAK 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLNAK 31 " --> pdb=" O LYSAK 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALAAK 32 " --> pdb=" O VALAK 28 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VALAK 33 " --> pdb=" O LEUAK 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THRAK 50 " --> pdb=" O ALAAK 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLUAK 53 " --> pdb=" O ARGAK 49 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYSAK 55 " --> pdb=" O ILEAK 51 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ASPAK 64 " --> pdb=" O ARGAK 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEUAK 77 " --> pdb=" O ASPAK 73 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ALAAK 78 " --> pdb=" O ARGAK 74 " (cutoff:3.500A) Processing helix chain 'AK' and resid 83 through 157 removed outlier: 4.002A pdb=" N GLUAK 116 " --> pdb=" O ARGAK 112 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ASNAK 117 " --> pdb=" O THRAK 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYSAK 128 " --> pdb=" O ALAAK 124 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALAAK 141 " --> pdb=" O ASNAK 137 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N ARGAK 142 " --> pdb=" O METAK 138 " (cutoff:3.500A) Processing helix chain 'AK' and resid 163 through 190 removed outlier: 4.404A pdb=" N ARGAK 170 " --> pdb=" O SERAK 166 " (cutoff:3.500A) Processing helix chain 'AK' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALAAK 198 " --> pdb=" O GLUAK 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLNAK 199 " --> pdb=" O ASNAK 195 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLYAK 205 " --> pdb=" O GLUAK 201 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VALAK 206 " --> pdb=" O ALAAK 202 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLUAK 207 " --> pdb=" O SERAK 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEUAK 210 " --> pdb=" O VALAK 206 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 2 through 24 removed outlier: 3.623A pdb=" N ALAAQ 22 " --> pdb=" O LEUAQ 18 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N ASPAQ 24 " --> pdb=" O SERAQ 20 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 25 through 82 removed outlier: 4.024A pdb=" N LEUAQ 29 " --> pdb=" O PROAQ 25 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N GLUAQ 30 " --> pdb=" O GLUAQ 26 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLNAQ 31 " --> pdb=" O LYSAQ 27 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALAAQ 32 " --> pdb=" O VALAQ 28 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VALAQ 33 " --> pdb=" O LEUAQ 29 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THRAQ 50 " --> pdb=" O ALAAQ 46 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLUAQ 53 " --> pdb=" O ARGAQ 49 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LYSAQ 55 " --> pdb=" O ILEAQ 51 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ASPAQ 64 " --> pdb=" O ARGAQ 60 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEUAQ 77 " --> pdb=" O ASPAQ 73 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALAAQ 78 " --> pdb=" O ARGAQ 74 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 83 through 157 removed outlier: 4.001A pdb=" N GLUAQ 116 " --> pdb=" O ARGAQ 112 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ASNAQ 117 " --> pdb=" O THRAQ 113 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N LYSAQ 128 " --> pdb=" O ALAAQ 124 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N ALAAQ 141 " --> pdb=" O ASNAQ 137 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARGAQ 142 " --> pdb=" O METAQ 138 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 163 through 190 removed outlier: 4.404A pdb=" N ARGAQ 170 " --> pdb=" O SERAQ 166 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 194 through 212 removed outlier: 3.514A pdb=" N ALAAQ 198 " --> pdb=" O GLUAQ 194 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLNAQ 199 " --> pdb=" O ASNAQ 195 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLYAQ 205 " --> pdb=" O GLUAQ 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N VALAQ 206 " --> pdb=" O ALAAQ 202 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLUAQ 207 " --> pdb=" O SERAQ 203 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LEUAQ 210 " --> pdb=" O VALAQ 206 " (cutoff:3.500A) Processing helix chain 'C' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALA C 22 " --> pdb=" O LEU C 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASP C 24 " --> pdb=" O SER C 20 " (cutoff:3.500A) Processing helix chain 'C' and resid 25 through 82 removed outlier: 6.520A pdb=" N LEU C 29 " --> pdb=" O PRO C 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLU C 30 " --> pdb=" O GLU C 26 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N VAL C 33 " --> pdb=" O LEU C 29 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N GLU C 53 " --> pdb=" O ARG C 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU C 54 " --> pdb=" O THR C 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS C 55 " --> pdb=" O ILE C 51 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYS C 70 " --> pdb=" O GLN C 66 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LEU C 77 " --> pdb=" O ASP C 73 " (cutoff:3.500A) Processing helix chain 'C' and resid 83 through 157 removed outlier: 3.517A pdb=" N LEU C 97 " --> pdb=" O ARG C 93 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ALA C 103 " --> pdb=" O ASP C 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASN C 117 " --> pdb=" O THR C 113 " (cutoff:3.500A) Processing helix chain 'C' and resid 163 through 190 removed outlier: 4.323A pdb=" N ARG C 170 " --> pdb=" O SER C 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N MET C 171 " --> pdb=" O ALA C 167 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLY C 186 " --> pdb=" O SER C 182 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLU C 187 " --> pdb=" O GLN C 183 " (cutoff:3.500A) Processing helix chain 'C' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASN C 195 " --> pdb=" O PHE C 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN C 196 " --> pdb=" O GLY C 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLN C 199 " --> pdb=" O ASN C 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL C 206 " --> pdb=" O ALA C 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU C 207 " --> pdb=" O SER C 203 " (cutoff:3.500A) Processing helix chain 'H' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALA H 22 " --> pdb=" O LEU H 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASP H 24 " --> pdb=" O SER H 20 " (cutoff:3.500A) Processing helix chain 'H' and resid 25 through 82 removed outlier: 6.520A pdb=" N LEU H 29 " --> pdb=" O PRO H 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLU H 30 " --> pdb=" O GLU H 26 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL H 33 " --> pdb=" O LEU H 29 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N GLU H 53 " --> pdb=" O ARG H 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU H 54 " --> pdb=" O THR H 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS H 55 " --> pdb=" O ILE H 51 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LYS H 70 " --> pdb=" O GLN H 66 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LEU H 77 " --> pdb=" O ASP H 73 " (cutoff:3.500A) Processing helix chain 'H' and resid 83 through 157 removed outlier: 3.518A pdb=" N LEU H 97 " --> pdb=" O ARG H 93 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ALA H 103 " --> pdb=" O ASP H 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASN H 117 " --> pdb=" O THR H 113 " (cutoff:3.500A) Processing helix chain 'H' and resid 163 through 190 removed outlier: 4.323A pdb=" N ARG H 170 " --> pdb=" O SER H 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N MET H 171 " --> pdb=" O ALA H 167 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLY H 186 " --> pdb=" O SER H 182 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLU H 187 " --> pdb=" O GLN H 183 " (cutoff:3.500A) Processing helix chain 'H' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASN H 195 " --> pdb=" O PHE H 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN H 196 " --> pdb=" O GLY H 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLN H 199 " --> pdb=" O ASN H 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL H 206 " --> pdb=" O ALA H 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU H 207 " --> pdb=" O SER H 203 " (cutoff:3.500A) Processing helix chain 'N' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALA N 22 " --> pdb=" O LEU N 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASP N 24 " --> pdb=" O SER N 20 " (cutoff:3.500A) Processing helix chain 'N' and resid 25 through 82 removed outlier: 6.521A pdb=" N LEU N 29 " --> pdb=" O PRO N 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLU N 30 " --> pdb=" O GLU N 26 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL N 33 " --> pdb=" O LEU N 29 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N GLU N 53 " --> pdb=" O ARG N 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU N 54 " --> pdb=" O THR N 50 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N LYS N 55 " --> pdb=" O ILE N 51 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYS N 70 " --> pdb=" O GLN N 66 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LEU N 77 " --> pdb=" O ASP N 73 " (cutoff:3.500A) Processing helix chain 'N' and resid 83 through 157 removed outlier: 3.517A pdb=" N LEU N 97 " --> pdb=" O ARG N 93 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N ALA N 103 " --> pdb=" O ASP N 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASN N 117 " --> pdb=" O THR N 113 " (cutoff:3.500A) Processing helix chain 'N' and resid 163 through 190 removed outlier: 4.323A pdb=" N ARG N 170 " --> pdb=" O SER N 166 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N MET N 171 " --> pdb=" O ALA N 167 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLY N 186 " --> pdb=" O SER N 182 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLU N 187 " --> pdb=" O GLN N 183 " (cutoff:3.500A) Processing helix chain 'N' and resid 191 through 215 removed outlier: 5.282A pdb=" N ASN N 195 " --> pdb=" O PHE N 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN N 196 " --> pdb=" O GLY N 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLN N 199 " --> pdb=" O ASN N 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL N 206 " --> pdb=" O ALA N 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU N 207 " --> pdb=" O SER N 203 " (cutoff:3.500A) Processing helix chain 'T' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALA T 22 " --> pdb=" O LEU T 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASP T 24 " --> pdb=" O SER T 20 " (cutoff:3.500A) Processing helix chain 'T' and resid 25 through 82 removed outlier: 6.521A pdb=" N LEU T 29 " --> pdb=" O PRO T 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLU T 30 " --> pdb=" O GLU T 26 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N VAL T 33 " --> pdb=" O LEU T 29 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N GLU T 53 " --> pdb=" O ARG T 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU T 54 " --> pdb=" O THR T 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS T 55 " --> pdb=" O ILE T 51 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYS T 70 " --> pdb=" O GLN T 66 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LEU T 77 " --> pdb=" O ASP T 73 " (cutoff:3.500A) Processing helix chain 'T' and resid 83 through 157 removed outlier: 3.517A pdb=" N LEU T 97 " --> pdb=" O ARG T 93 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ALA T 103 " --> pdb=" O ASP T 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASN T 117 " --> pdb=" O THR T 113 " (cutoff:3.500A) Processing helix chain 'T' and resid 163 through 190 removed outlier: 4.322A pdb=" N ARG T 170 " --> pdb=" O SER T 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N MET T 171 " --> pdb=" O ALA T 167 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLY T 186 " --> pdb=" O SER T 182 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLU T 187 " --> pdb=" O GLN T 183 " (cutoff:3.500A) Processing helix chain 'T' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASN T 195 " --> pdb=" O PHE T 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN T 196 " --> pdb=" O GLY T 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLN T 199 " --> pdb=" O ASN T 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL T 206 " --> pdb=" O ALA T 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU T 207 " --> pdb=" O SER T 203 " (cutoff:3.500A) Processing helix chain 'Z' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALA Z 22 " --> pdb=" O LEU Z 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASP Z 24 " --> pdb=" O SER Z 20 " (cutoff:3.500A) Processing helix chain 'Z' and resid 25 through 82 removed outlier: 6.520A pdb=" N LEU Z 29 " --> pdb=" O PRO Z 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLU Z 30 " --> pdb=" O GLU Z 26 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N VAL Z 33 " --> pdb=" O LEU Z 29 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N GLU Z 53 " --> pdb=" O ARG Z 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU Z 54 " --> pdb=" O THR Z 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS Z 55 " --> pdb=" O ILE Z 51 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LYS Z 70 " --> pdb=" O GLN Z 66 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LEU Z 77 " --> pdb=" O ASP Z 73 " (cutoff:3.500A) Processing helix chain 'Z' and resid 83 through 157 removed outlier: 3.517A pdb=" N LEU Z 97 " --> pdb=" O ARG Z 93 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N ALA Z 103 " --> pdb=" O ASP Z 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASN Z 117 " --> pdb=" O THR Z 113 " (cutoff:3.500A) Processing helix chain 'Z' and resid 163 through 190 removed outlier: 4.323A pdb=" N ARG Z 170 " --> pdb=" O SER Z 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N MET Z 171 " --> pdb=" O ALA Z 167 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLY Z 186 " --> pdb=" O SER Z 182 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLU Z 187 " --> pdb=" O GLN Z 183 " (cutoff:3.500A) Processing helix chain 'Z' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASN Z 195 " --> pdb=" O PHE Z 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN Z 196 " --> pdb=" O GLY Z 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLN Z 199 " --> pdb=" O ASN Z 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL Z 206 " --> pdb=" O ALA Z 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU Z 207 " --> pdb=" O SER Z 203 " (cutoff:3.500A) Processing helix chain '5' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALA 5 22 " --> pdb=" O LEU 5 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASP 5 24 " --> pdb=" O SER 5 20 " (cutoff:3.500A) Processing helix chain '5' and resid 25 through 82 removed outlier: 6.520A pdb=" N LEU 5 29 " --> pdb=" O PRO 5 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLU 5 30 " --> pdb=" O GLU 5 26 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL 5 33 " --> pdb=" O LEU 5 29 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N GLU 5 53 " --> pdb=" O ARG 5 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU 5 54 " --> pdb=" O THR 5 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS 5 55 " --> pdb=" O ILE 5 51 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYS 5 70 " --> pdb=" O GLN 5 66 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LEU 5 77 " --> pdb=" O ASP 5 73 " (cutoff:3.500A) Processing helix chain '5' and resid 83 through 157 removed outlier: 3.518A pdb=" N LEU 5 97 " --> pdb=" O ARG 5 93 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N ALA 5 103 " --> pdb=" O ASP 5 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASN 5 117 " --> pdb=" O THR 5 113 " (cutoff:3.500A) Processing helix chain '5' and resid 163 through 190 removed outlier: 4.323A pdb=" N ARG 5 170 " --> pdb=" O SER 5 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N MET 5 171 " --> pdb=" O ALA 5 167 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLY 5 186 " --> pdb=" O SER 5 182 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLU 5 187 " --> pdb=" O GLN 5 183 " (cutoff:3.500A) Processing helix chain '5' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASN 5 195 " --> pdb=" O PHE 5 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN 5 196 " --> pdb=" O GLY 5 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLN 5 199 " --> pdb=" O ASN 5 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL 5 206 " --> pdb=" O ALA 5 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU 5 207 " --> pdb=" O SER 5 203 " (cutoff:3.500A) Processing helix chain 'b' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALA b 22 " --> pdb=" O LEU b 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASP b 24 " --> pdb=" O SER b 20 " (cutoff:3.500A) Processing helix chain 'b' and resid 25 through 82 removed outlier: 6.521A pdb=" N LEU b 29 " --> pdb=" O PRO b 25 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N GLU b 30 " --> pdb=" O GLU b 26 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N VAL b 33 " --> pdb=" O LEU b 29 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N GLU b 53 " --> pdb=" O ARG b 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU b 54 " --> pdb=" O THR b 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS b 55 " --> pdb=" O ILE b 51 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYS b 70 " --> pdb=" O GLN b 66 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LEU b 77 " --> pdb=" O ASP b 73 " (cutoff:3.500A) Processing helix chain 'b' and resid 83 through 157 removed outlier: 3.517A pdb=" N LEU b 97 " --> pdb=" O ARG b 93 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ALA b 103 " --> pdb=" O ASP b 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASN b 117 " --> pdb=" O THR b 113 " (cutoff:3.500A) Processing helix chain 'b' and resid 163 through 190 removed outlier: 4.322A pdb=" N ARG b 170 " --> pdb=" O SER b 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N MET b 171 " --> pdb=" O ALA b 167 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLY b 186 " --> pdb=" O SER b 182 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLU b 187 " --> pdb=" O GLN b 183 " (cutoff:3.500A) Processing helix chain 'b' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASN b 195 " --> pdb=" O PHE b 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN b 196 " --> pdb=" O GLY b 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLN b 199 " --> pdb=" O ASN b 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL b 206 " --> pdb=" O ALA b 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU b 207 " --> pdb=" O SER b 203 " (cutoff:3.500A) Processing helix chain 'h' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALA h 22 " --> pdb=" O LEU h 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASP h 24 " --> pdb=" O SER h 20 " (cutoff:3.500A) Processing helix chain 'h' and resid 25 through 82 removed outlier: 6.520A pdb=" N LEU h 29 " --> pdb=" O PRO h 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLU h 30 " --> pdb=" O GLU h 26 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N VAL h 33 " --> pdb=" O LEU h 29 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N GLU h 53 " --> pdb=" O ARG h 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU h 54 " --> pdb=" O THR h 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS h 55 " --> pdb=" O ILE h 51 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYS h 70 " --> pdb=" O GLN h 66 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LEU h 77 " --> pdb=" O ASP h 73 " (cutoff:3.500A) Processing helix chain 'h' and resid 83 through 157 removed outlier: 3.517A pdb=" N LEU h 97 " --> pdb=" O ARG h 93 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ALA h 103 " --> pdb=" O ASP h 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASN h 117 " --> pdb=" O THR h 113 " (cutoff:3.500A) Processing helix chain 'h' and resid 163 through 190 removed outlier: 4.323A pdb=" N ARG h 170 " --> pdb=" O SER h 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N MET h 171 " --> pdb=" O ALA h 167 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLY h 186 " --> pdb=" O SER h 182 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLU h 187 " --> pdb=" O GLN h 183 " (cutoff:3.500A) Processing helix chain 'h' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASN h 195 " --> pdb=" O PHE h 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN h 196 " --> pdb=" O GLY h 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLN h 199 " --> pdb=" O ASN h 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL h 206 " --> pdb=" O ALA h 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU h 207 " --> pdb=" O SER h 203 " (cutoff:3.500A) Processing helix chain 'n' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALA n 22 " --> pdb=" O LEU n 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASP n 24 " --> pdb=" O SER n 20 " (cutoff:3.500A) Processing helix chain 'n' and resid 25 through 82 removed outlier: 6.520A pdb=" N LEU n 29 " --> pdb=" O PRO n 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLU n 30 " --> pdb=" O GLU n 26 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL n 33 " --> pdb=" O LEU n 29 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N GLU n 53 " --> pdb=" O ARG n 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU n 54 " --> pdb=" O THR n 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS n 55 " --> pdb=" O ILE n 51 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LYS n 70 " --> pdb=" O GLN n 66 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LEU n 77 " --> pdb=" O ASP n 73 " (cutoff:3.500A) Processing helix chain 'n' and resid 83 through 157 removed outlier: 3.518A pdb=" N LEU n 97 " --> pdb=" O ARG n 93 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ALA n 103 " --> pdb=" O ASP n 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASN n 117 " --> pdb=" O THR n 113 " (cutoff:3.500A) Processing helix chain 'n' and resid 163 through 190 removed outlier: 4.323A pdb=" N ARG n 170 " --> pdb=" O SER n 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N MET n 171 " --> pdb=" O ALA n 167 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLY n 186 " --> pdb=" O SER n 182 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLU n 187 " --> pdb=" O GLN n 183 " (cutoff:3.500A) Processing helix chain 'n' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASN n 195 " --> pdb=" O PHE n 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN n 196 " --> pdb=" O GLY n 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLN n 199 " --> pdb=" O ASN n 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL n 206 " --> pdb=" O ALA n 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU n 207 " --> pdb=" O SER n 203 " (cutoff:3.500A) Processing helix chain 't' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALA t 22 " --> pdb=" O LEU t 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASP t 24 " --> pdb=" O SER t 20 " (cutoff:3.500A) Processing helix chain 't' and resid 25 through 82 removed outlier: 6.521A pdb=" N LEU t 29 " --> pdb=" O PRO t 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLU t 30 " --> pdb=" O GLU t 26 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL t 33 " --> pdb=" O LEU t 29 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N GLU t 53 " --> pdb=" O ARG t 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU t 54 " --> pdb=" O THR t 50 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N LYS t 55 " --> pdb=" O ILE t 51 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYS t 70 " --> pdb=" O GLN t 66 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LEU t 77 " --> pdb=" O ASP t 73 " (cutoff:3.500A) Processing helix chain 't' and resid 83 through 157 removed outlier: 3.517A pdb=" N LEU t 97 " --> pdb=" O ARG t 93 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N ALA t 103 " --> pdb=" O ASP t 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASN t 117 " --> pdb=" O THR t 113 " (cutoff:3.500A) Processing helix chain 't' and resid 163 through 190 removed outlier: 4.323A pdb=" N ARG t 170 " --> pdb=" O SER t 166 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N MET t 171 " --> pdb=" O ALA t 167 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLY t 186 " --> pdb=" O SER t 182 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLU t 187 " --> pdb=" O GLN t 183 " (cutoff:3.500A) Processing helix chain 't' and resid 191 through 215 removed outlier: 5.282A pdb=" N ASN t 195 " --> pdb=" O PHE t 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN t 196 " --> pdb=" O GLY t 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLN t 199 " --> pdb=" O ASN t 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL t 206 " --> pdb=" O ALA t 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU t 207 " --> pdb=" O SER t 203 " (cutoff:3.500A) Processing helix chain 'z' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALA z 22 " --> pdb=" O LEU z 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASP z 24 " --> pdb=" O SER z 20 " (cutoff:3.500A) Processing helix chain 'z' and resid 25 through 82 removed outlier: 6.521A pdb=" N LEU z 29 " --> pdb=" O PRO z 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLU z 30 " --> pdb=" O GLU z 26 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N VAL z 33 " --> pdb=" O LEU z 29 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N GLU z 53 " --> pdb=" O ARG z 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLU z 54 " --> pdb=" O THR z 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS z 55 " --> pdb=" O ILE z 51 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYS z 70 " --> pdb=" O GLN z 66 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LEU z 77 " --> pdb=" O ASP z 73 " (cutoff:3.500A) Processing helix chain 'z' and resid 83 through 157 removed outlier: 3.517A pdb=" N LEU z 97 " --> pdb=" O ARG z 93 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ALA z 103 " --> pdb=" O ASP z 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASN z 117 " --> pdb=" O THR z 113 " (cutoff:3.500A) Processing helix chain 'z' and resid 163 through 190 removed outlier: 4.322A pdb=" N ARG z 170 " --> pdb=" O SER z 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N MET z 171 " --> pdb=" O ALA z 167 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLY z 186 " --> pdb=" O SER z 182 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLU z 187 " --> pdb=" O GLN z 183 " (cutoff:3.500A) Processing helix chain 'z' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASN z 195 " --> pdb=" O PHE z 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN z 196 " --> pdb=" O GLY z 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLN z 199 " --> pdb=" O ASN z 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL z 206 " --> pdb=" O ALA z 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU z 207 " --> pdb=" O SER z 203 " (cutoff:3.500A) Processing helix chain 'AF' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALAAF 22 " --> pdb=" O LEUAF 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASPAF 24 " --> pdb=" O SERAF 20 " (cutoff:3.500A) Processing helix chain 'AF' and resid 25 through 82 removed outlier: 6.520A pdb=" N LEUAF 29 " --> pdb=" O PROAF 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLUAF 30 " --> pdb=" O GLUAF 26 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N VALAF 33 " --> pdb=" O LEUAF 29 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N GLUAF 53 " --> pdb=" O ARGAF 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLUAF 54 " --> pdb=" O THRAF 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYSAF 55 " --> pdb=" O ILEAF 51 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LYSAF 70 " --> pdb=" O GLNAF 66 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LEUAF 77 " --> pdb=" O ASPAF 73 " (cutoff:3.500A) Processing helix chain 'AF' and resid 83 through 157 removed outlier: 3.517A pdb=" N LEUAF 97 " --> pdb=" O ARGAF 93 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N ALAAF 103 " --> pdb=" O ASPAF 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASNAF 117 " --> pdb=" O THRAF 113 " (cutoff:3.500A) Processing helix chain 'AF' and resid 163 through 190 removed outlier: 4.323A pdb=" N ARGAF 170 " --> pdb=" O SERAF 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N METAF 171 " --> pdb=" O ALAAF 167 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLYAF 186 " --> pdb=" O SERAF 182 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLUAF 187 " --> pdb=" O GLNAF 183 " (cutoff:3.500A) Processing helix chain 'AF' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASNAF 195 " --> pdb=" O PHEAF 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLNAF 196 " --> pdb=" O GLYAF 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLNAF 199 " --> pdb=" O ASNAF 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VALAF 206 " --> pdb=" O ALAAF 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLUAF 207 " --> pdb=" O SERAF 203 " (cutoff:3.500A) Processing helix chain 'AL' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALAAL 22 " --> pdb=" O LEUAL 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASPAL 24 " --> pdb=" O SERAL 20 " (cutoff:3.500A) Processing helix chain 'AL' and resid 25 through 82 removed outlier: 6.520A pdb=" N LEUAL 29 " --> pdb=" O PROAL 25 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLUAL 30 " --> pdb=" O GLUAL 26 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VALAL 33 " --> pdb=" O LEUAL 29 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N GLUAL 53 " --> pdb=" O ARGAL 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLUAL 54 " --> pdb=" O THRAL 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYSAL 55 " --> pdb=" O ILEAL 51 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYSAL 70 " --> pdb=" O GLNAL 66 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LEUAL 77 " --> pdb=" O ASPAL 73 " (cutoff:3.500A) Processing helix chain 'AL' and resid 83 through 157 removed outlier: 3.518A pdb=" N LEUAL 97 " --> pdb=" O ARGAL 93 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N ALAAL 103 " --> pdb=" O ASPAL 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASNAL 117 " --> pdb=" O THRAL 113 " (cutoff:3.500A) Processing helix chain 'AL' and resid 163 through 190 removed outlier: 4.323A pdb=" N ARGAL 170 " --> pdb=" O SERAL 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N METAL 171 " --> pdb=" O ALAAL 167 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLYAL 186 " --> pdb=" O SERAL 182 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLUAL 187 " --> pdb=" O GLNAL 183 " (cutoff:3.500A) Processing helix chain 'AL' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASNAL 195 " --> pdb=" O PHEAL 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLNAL 196 " --> pdb=" O GLYAL 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLNAL 199 " --> pdb=" O ASNAL 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VALAL 206 " --> pdb=" O ALAAL 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLUAL 207 " --> pdb=" O SERAL 203 " (cutoff:3.500A) Processing helix chain 'AR' and resid 2 through 24 removed outlier: 3.508A pdb=" N ALAAR 22 " --> pdb=" O LEUAR 18 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ASPAR 24 " --> pdb=" O SERAR 20 " (cutoff:3.500A) Processing helix chain 'AR' and resid 25 through 82 removed outlier: 6.521A pdb=" N LEUAR 29 " --> pdb=" O PROAR 25 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N GLUAR 30 " --> pdb=" O GLUAR 26 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N VALAR 33 " --> pdb=" O LEUAR 29 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N GLUAR 53 " --> pdb=" O ARGAR 49 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLUAR 54 " --> pdb=" O THRAR 50 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYSAR 55 " --> pdb=" O ILEAR 51 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYSAR 70 " --> pdb=" O GLNAR 66 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LEUAR 77 " --> pdb=" O ASPAR 73 " (cutoff:3.500A) Processing helix chain 'AR' and resid 83 through 157 removed outlier: 3.517A pdb=" N LEUAR 97 " --> pdb=" O ARGAR 93 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ALAAR 103 " --> pdb=" O ASPAR 99 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ASNAR 117 " --> pdb=" O THRAR 113 " (cutoff:3.500A) Processing helix chain 'AR' and resid 163 through 190 removed outlier: 4.322A pdb=" N ARGAR 170 " --> pdb=" O SERAR 166 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N METAR 171 " --> pdb=" O ALAAR 167 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLYAR 186 " --> pdb=" O SERAR 182 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLUAR 187 " --> pdb=" O GLNAR 183 " (cutoff:3.500A) Processing helix chain 'AR' and resid 191 through 215 removed outlier: 5.281A pdb=" N ASNAR 195 " --> pdb=" O PHEAR 191 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLNAR 196 " --> pdb=" O GLYAR 192 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLNAR 199 " --> pdb=" O ASNAR 195 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VALAR 206 " --> pdb=" O ALAAR 202 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLUAR 207 " --> pdb=" O SERAR 203 " (cutoff:3.500A) Processing helix chain 'E' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA E 22 " --> pdb=" O LEU E 18 " (cutoff:3.500A) removed outlier: 5.601A pdb=" N ASP E 24 " --> pdb=" O SER E 20 " (cutoff:3.500A) Processing helix chain 'E' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEU E 29 " --> pdb=" O PRO E 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THR E 50 " --> pdb=" O ALA E 46 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLU E 53 " --> pdb=" O ARG E 49 " (cutoff:3.500A) Processing helix chain 'E' and resid 83 through 157 removed outlier: 3.590A pdb=" N GLN E 110 " --> pdb=" O THR E 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALA E 124 " --> pdb=" O ARG E 120 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N MET E 138 " --> pdb=" O THR E 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALA E 141 " --> pdb=" O ASN E 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS E 147 " --> pdb=" O ALA E 143 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N THR E 155 " --> pdb=" O GLU E 151 " (cutoff:3.500A) Processing helix chain 'E' and resid 163 through 190 removed outlier: 3.565A pdb=" N ARG E 170 " --> pdb=" O SER E 166 " (cutoff:3.500A) Processing helix chain 'E' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASN E 195 " --> pdb=" O PHE E 191 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLN E 196 " --> pdb=" O GLY E 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLN E 199 " --> pdb=" O ASN E 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLY E 205 " --> pdb=" O GLU E 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VAL E 206 " --> pdb=" O ALA E 202 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLU E 207 " --> pdb=" O SER E 203 " (cutoff:3.500A) Processing helix chain 'I' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA I 22 " --> pdb=" O LEU I 18 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ASP I 24 " --> pdb=" O SER I 20 " (cutoff:3.500A) Processing helix chain 'I' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEU I 29 " --> pdb=" O PRO I 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THR I 50 " --> pdb=" O ALA I 46 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N GLU I 53 " --> pdb=" O ARG I 49 " (cutoff:3.500A) Processing helix chain 'I' and resid 83 through 157 removed outlier: 3.590A pdb=" N GLN I 110 " --> pdb=" O THR I 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALA I 124 " --> pdb=" O ARG I 120 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N MET I 138 " --> pdb=" O THR I 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALA I 141 " --> pdb=" O ASN I 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS I 147 " --> pdb=" O ALA I 143 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N THR I 155 " --> pdb=" O GLU I 151 " (cutoff:3.500A) Processing helix chain 'I' and resid 163 through 190 removed outlier: 3.564A pdb=" N ARG I 170 " --> pdb=" O SER I 166 " (cutoff:3.500A) Processing helix chain 'I' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASN I 195 " --> pdb=" O PHE I 191 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLN I 196 " --> pdb=" O GLY I 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLN I 199 " --> pdb=" O ASN I 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLY I 205 " --> pdb=" O GLU I 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VAL I 206 " --> pdb=" O ALA I 202 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLU I 207 " --> pdb=" O SER I 203 " (cutoff:3.500A) Processing helix chain 'O' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA O 22 " --> pdb=" O LEU O 18 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ASP O 24 " --> pdb=" O SER O 20 " (cutoff:3.500A) Processing helix chain 'O' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEU O 29 " --> pdb=" O PRO O 25 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N THR O 50 " --> pdb=" O ALA O 46 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLU O 53 " --> pdb=" O ARG O 49 " (cutoff:3.500A) Processing helix chain 'O' and resid 83 through 157 removed outlier: 3.590A pdb=" N GLN O 110 " --> pdb=" O THR O 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALA O 124 " --> pdb=" O ARG O 120 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N MET O 138 " --> pdb=" O THR O 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALA O 141 " --> pdb=" O ASN O 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS O 147 " --> pdb=" O ALA O 143 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N THR O 155 " --> pdb=" O GLU O 151 " (cutoff:3.500A) Processing helix chain 'O' and resid 163 through 190 removed outlier: 3.565A pdb=" N ARG O 170 " --> pdb=" O SER O 166 " (cutoff:3.500A) Processing helix chain 'O' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASN O 195 " --> pdb=" O PHE O 191 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLN O 196 " --> pdb=" O GLY O 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N GLN O 199 " --> pdb=" O ASN O 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLY O 205 " --> pdb=" O GLU O 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VAL O 206 " --> pdb=" O ALA O 202 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLU O 207 " --> pdb=" O SER O 203 " (cutoff:3.500A) Processing helix chain 'U' and resid 2 through 24 removed outlier: 3.541A pdb=" N ALA U 22 " --> pdb=" O LEU U 18 " (cutoff:3.500A) removed outlier: 5.601A pdb=" N ASP U 24 " --> pdb=" O SER U 20 " (cutoff:3.500A) Processing helix chain 'U' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEU U 29 " --> pdb=" O PRO U 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THR U 50 " --> pdb=" O ALA U 46 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLU U 53 " --> pdb=" O ARG U 49 " (cutoff:3.500A) Processing helix chain 'U' and resid 83 through 157 removed outlier: 3.590A pdb=" N GLN U 110 " --> pdb=" O THR U 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALA U 124 " --> pdb=" O ARG U 120 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N MET U 138 " --> pdb=" O THR U 134 " (cutoff:3.500A) removed outlier: 4.392A pdb=" N ALA U 141 " --> pdb=" O ASN U 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS U 147 " --> pdb=" O ALA U 143 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N THR U 155 " --> pdb=" O GLU U 151 " (cutoff:3.500A) Processing helix chain 'U' and resid 163 through 190 removed outlier: 3.564A pdb=" N ARG U 170 " --> pdb=" O SER U 166 " (cutoff:3.500A) Processing helix chain 'U' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASN U 195 " --> pdb=" O PHE U 191 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N GLN U 196 " --> pdb=" O GLY U 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLN U 199 " --> pdb=" O ASN U 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLY U 205 " --> pdb=" O GLU U 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VAL U 206 " --> pdb=" O ALA U 202 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLU U 207 " --> pdb=" O SER U 203 " (cutoff:3.500A) Processing helix chain '0' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA 0 22 " --> pdb=" O LEU 0 18 " (cutoff:3.500A) removed outlier: 5.601A pdb=" N ASP 0 24 " --> pdb=" O SER 0 20 " (cutoff:3.500A) Processing helix chain '0' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEU 0 29 " --> pdb=" O PRO 0 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THR 0 50 " --> pdb=" O ALA 0 46 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLU 0 53 " --> pdb=" O ARG 0 49 " (cutoff:3.500A) Processing helix chain '0' and resid 83 through 157 removed outlier: 3.590A pdb=" N GLN 0 110 " --> pdb=" O THR 0 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALA 0 124 " --> pdb=" O ARG 0 120 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N MET 0 138 " --> pdb=" O THR 0 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALA 0 141 " --> pdb=" O ASN 0 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS 0 147 " --> pdb=" O ALA 0 143 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N THR 0 155 " --> pdb=" O GLU 0 151 " (cutoff:3.500A) Processing helix chain '0' and resid 163 through 190 removed outlier: 3.565A pdb=" N ARG 0 170 " --> pdb=" O SER 0 166 " (cutoff:3.500A) Processing helix chain '0' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASN 0 195 " --> pdb=" O PHE 0 191 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLN 0 196 " --> pdb=" O GLY 0 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLN 0 199 " --> pdb=" O ASN 0 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLY 0 205 " --> pdb=" O GLU 0 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VAL 0 206 " --> pdb=" O ALA 0 202 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLU 0 207 " --> pdb=" O SER 0 203 " (cutoff:3.500A) Processing helix chain '6' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA 6 22 " --> pdb=" O LEU 6 18 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ASP 6 24 " --> pdb=" O SER 6 20 " (cutoff:3.500A) Processing helix chain '6' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEU 6 29 " --> pdb=" O PRO 6 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THR 6 50 " --> pdb=" O ALA 6 46 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N GLU 6 53 " --> pdb=" O ARG 6 49 " (cutoff:3.500A) Processing helix chain '6' and resid 83 through 157 removed outlier: 3.591A pdb=" N GLN 6 110 " --> pdb=" O THR 6 106 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ALA 6 124 " --> pdb=" O ARG 6 120 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N MET 6 138 " --> pdb=" O THR 6 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALA 6 141 " --> pdb=" O ASN 6 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS 6 147 " --> pdb=" O ALA 6 143 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N THR 6 155 " --> pdb=" O GLU 6 151 " (cutoff:3.500A) Processing helix chain '6' and resid 163 through 190 removed outlier: 3.565A pdb=" N ARG 6 170 " --> pdb=" O SER 6 166 " (cutoff:3.500A) Processing helix chain '6' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASN 6 195 " --> pdb=" O PHE 6 191 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N GLN 6 196 " --> pdb=" O GLY 6 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLN 6 199 " --> pdb=" O ASN 6 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLY 6 205 " --> pdb=" O GLU 6 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VAL 6 206 " --> pdb=" O ALA 6 202 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLU 6 207 " --> pdb=" O SER 6 203 " (cutoff:3.500A) Processing helix chain 'c' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA c 22 " --> pdb=" O LEU c 18 " (cutoff:3.500A) removed outlier: 5.601A pdb=" N ASP c 24 " --> pdb=" O SER c 20 " (cutoff:3.500A) Processing helix chain 'c' and resid 25 through 82 removed outlier: 5.645A pdb=" N LEU c 29 " --> pdb=" O PRO c 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THR c 50 " --> pdb=" O ALA c 46 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N GLU c 53 " --> pdb=" O ARG c 49 " (cutoff:3.500A) Processing helix chain 'c' and resid 83 through 157 removed outlier: 3.591A pdb=" N GLN c 110 " --> pdb=" O THR c 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALA c 124 " --> pdb=" O ARG c 120 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N MET c 138 " --> pdb=" O THR c 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALA c 141 " --> pdb=" O ASN c 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS c 147 " --> pdb=" O ALA c 143 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N THR c 155 " --> pdb=" O GLU c 151 " (cutoff:3.500A) Processing helix chain 'c' and resid 163 through 190 removed outlier: 3.565A pdb=" N ARG c 170 " --> pdb=" O SER c 166 " (cutoff:3.500A) Processing helix chain 'c' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASN c 195 " --> pdb=" O PHE c 191 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLN c 196 " --> pdb=" O GLY c 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLN c 199 " --> pdb=" O ASN c 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLY c 205 " --> pdb=" O GLU c 201 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N VAL c 206 " --> pdb=" O ALA c 202 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLU c 207 " --> pdb=" O SER c 203 " (cutoff:3.500A) Processing helix chain 'i' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA i 22 " --> pdb=" O LEU i 18 " (cutoff:3.500A) removed outlier: 5.601A pdb=" N ASP i 24 " --> pdb=" O SER i 20 " (cutoff:3.500A) Processing helix chain 'i' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEU i 29 " --> pdb=" O PRO i 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THR i 50 " --> pdb=" O ALA i 46 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLU i 53 " --> pdb=" O ARG i 49 " (cutoff:3.500A) Processing helix chain 'i' and resid 83 through 157 removed outlier: 3.590A pdb=" N GLN i 110 " --> pdb=" O THR i 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALA i 124 " --> pdb=" O ARG i 120 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N MET i 138 " --> pdb=" O THR i 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALA i 141 " --> pdb=" O ASN i 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS i 147 " --> pdb=" O ALA i 143 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N THR i 155 " --> pdb=" O GLU i 151 " (cutoff:3.500A) Processing helix chain 'i' and resid 163 through 190 removed outlier: 3.565A pdb=" N ARG i 170 " --> pdb=" O SER i 166 " (cutoff:3.500A) Processing helix chain 'i' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASN i 195 " --> pdb=" O PHE i 191 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLN i 196 " --> pdb=" O GLY i 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLN i 199 " --> pdb=" O ASN i 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLY i 205 " --> pdb=" O GLU i 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VAL i 206 " --> pdb=" O ALA i 202 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLU i 207 " --> pdb=" O SER i 203 " (cutoff:3.500A) Processing helix chain 'o' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA o 22 " --> pdb=" O LEU o 18 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ASP o 24 " --> pdb=" O SER o 20 " (cutoff:3.500A) Processing helix chain 'o' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEU o 29 " --> pdb=" O PRO o 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THR o 50 " --> pdb=" O ALA o 46 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N GLU o 53 " --> pdb=" O ARG o 49 " (cutoff:3.500A) Processing helix chain 'o' and resid 83 through 157 removed outlier: 3.590A pdb=" N GLN o 110 " --> pdb=" O THR o 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALA o 124 " --> pdb=" O ARG o 120 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N MET o 138 " --> pdb=" O THR o 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALA o 141 " --> pdb=" O ASN o 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS o 147 " --> pdb=" O ALA o 143 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N THR o 155 " --> pdb=" O GLU o 151 " (cutoff:3.500A) Processing helix chain 'o' and resid 163 through 190 removed outlier: 3.564A pdb=" N ARG o 170 " --> pdb=" O SER o 166 " (cutoff:3.500A) Processing helix chain 'o' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASN o 195 " --> pdb=" O PHE o 191 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLN o 196 " --> pdb=" O GLY o 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLN o 199 " --> pdb=" O ASN o 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLY o 205 " --> pdb=" O GLU o 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VAL o 206 " --> pdb=" O ALA o 202 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLU o 207 " --> pdb=" O SER o 203 " (cutoff:3.500A) Processing helix chain 'u' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA u 22 " --> pdb=" O LEU u 18 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ASP u 24 " --> pdb=" O SER u 20 " (cutoff:3.500A) Processing helix chain 'u' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEU u 29 " --> pdb=" O PRO u 25 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N THR u 50 " --> pdb=" O ALA u 46 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLU u 53 " --> pdb=" O ARG u 49 " (cutoff:3.500A) Processing helix chain 'u' and resid 83 through 157 removed outlier: 3.590A pdb=" N GLN u 110 " --> pdb=" O THR u 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALA u 124 " --> pdb=" O ARG u 120 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N MET u 138 " --> pdb=" O THR u 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALA u 141 " --> pdb=" O ASN u 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS u 147 " --> pdb=" O ALA u 143 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N THR u 155 " --> pdb=" O GLU u 151 " (cutoff:3.500A) Processing helix chain 'u' and resid 163 through 190 removed outlier: 3.565A pdb=" N ARG u 170 " --> pdb=" O SER u 166 " (cutoff:3.500A) Processing helix chain 'u' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASN u 195 " --> pdb=" O PHE u 191 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLN u 196 " --> pdb=" O GLY u 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N GLN u 199 " --> pdb=" O ASN u 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLY u 205 " --> pdb=" O GLU u 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VAL u 206 " --> pdb=" O ALA u 202 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLU u 207 " --> pdb=" O SER u 203 " (cutoff:3.500A) Processing helix chain 'AA' and resid 2 through 24 removed outlier: 3.541A pdb=" N ALAAA 22 " --> pdb=" O LEUAA 18 " (cutoff:3.500A) removed outlier: 5.601A pdb=" N ASPAA 24 " --> pdb=" O SERAA 20 " (cutoff:3.500A) Processing helix chain 'AA' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEUAA 29 " --> pdb=" O PROAA 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THRAA 50 " --> pdb=" O ALAAA 46 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLUAA 53 " --> pdb=" O ARGAA 49 " (cutoff:3.500A) Processing helix chain 'AA' and resid 83 through 157 removed outlier: 3.590A pdb=" N GLNAA 110 " --> pdb=" O THRAA 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALAAA 124 " --> pdb=" O ARGAA 120 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N METAA 138 " --> pdb=" O THRAA 134 " (cutoff:3.500A) removed outlier: 4.392A pdb=" N ALAAA 141 " --> pdb=" O ASNAA 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYSAA 147 " --> pdb=" O ALAAA 143 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N THRAA 155 " --> pdb=" O GLUAA 151 " (cutoff:3.500A) Processing helix chain 'AA' and resid 163 through 190 removed outlier: 3.564A pdb=" N ARGAA 170 " --> pdb=" O SERAA 166 " (cutoff:3.500A) Processing helix chain 'AA' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASNAA 195 " --> pdb=" O PHEAA 191 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N GLNAA 196 " --> pdb=" O GLYAA 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLNAA 199 " --> pdb=" O ASNAA 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLYAA 205 " --> pdb=" O GLUAA 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VALAA 206 " --> pdb=" O ALAAA 202 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLUAA 207 " --> pdb=" O SERAA 203 " (cutoff:3.500A) Processing helix chain 'AG' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALAAG 22 " --> pdb=" O LEUAG 18 " (cutoff:3.500A) removed outlier: 5.601A pdb=" N ASPAG 24 " --> pdb=" O SERAG 20 " (cutoff:3.500A) Processing helix chain 'AG' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEUAG 29 " --> pdb=" O PROAG 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THRAG 50 " --> pdb=" O ALAAG 46 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLUAG 53 " --> pdb=" O ARGAG 49 " (cutoff:3.500A) Processing helix chain 'AG' and resid 83 through 157 removed outlier: 3.590A pdb=" N GLNAG 110 " --> pdb=" O THRAG 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALAAG 124 " --> pdb=" O ARGAG 120 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N METAG 138 " --> pdb=" O THRAG 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALAAG 141 " --> pdb=" O ASNAG 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYSAG 147 " --> pdb=" O ALAAG 143 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N THRAG 155 " --> pdb=" O GLUAG 151 " (cutoff:3.500A) Processing helix chain 'AG' and resid 163 through 190 removed outlier: 3.565A pdb=" N ARGAG 170 " --> pdb=" O SERAG 166 " (cutoff:3.500A) Processing helix chain 'AG' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASNAG 195 " --> pdb=" O PHEAG 191 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLNAG 196 " --> pdb=" O GLYAG 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLNAG 199 " --> pdb=" O ASNAG 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLYAG 205 " --> pdb=" O GLUAG 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VALAG 206 " --> pdb=" O ALAAG 202 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLUAG 207 " --> pdb=" O SERAG 203 " (cutoff:3.500A) Processing helix chain 'AM' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALAAM 22 " --> pdb=" O LEUAM 18 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ASPAM 24 " --> pdb=" O SERAM 20 " (cutoff:3.500A) Processing helix chain 'AM' and resid 25 through 82 removed outlier: 5.644A pdb=" N LEUAM 29 " --> pdb=" O PROAM 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THRAM 50 " --> pdb=" O ALAAM 46 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N GLUAM 53 " --> pdb=" O ARGAM 49 " (cutoff:3.500A) Processing helix chain 'AM' and resid 83 through 157 removed outlier: 3.591A pdb=" N GLNAM 110 " --> pdb=" O THRAM 106 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ALAAM 124 " --> pdb=" O ARGAM 120 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N METAM 138 " --> pdb=" O THRAM 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALAAM 141 " --> pdb=" O ASNAM 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYSAM 147 " --> pdb=" O ALAAM 143 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N THRAM 155 " --> pdb=" O GLUAM 151 " (cutoff:3.500A) Processing helix chain 'AM' and resid 163 through 190 removed outlier: 3.565A pdb=" N ARGAM 170 " --> pdb=" O SERAM 166 " (cutoff:3.500A) Processing helix chain 'AM' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASNAM 195 " --> pdb=" O PHEAM 191 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N GLNAM 196 " --> pdb=" O GLYAM 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLNAM 199 " --> pdb=" O ASNAM 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLYAM 205 " --> pdb=" O GLUAM 201 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N VALAM 206 " --> pdb=" O ALAAM 202 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLUAM 207 " --> pdb=" O SERAM 203 " (cutoff:3.500A) Processing helix chain 'AS' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALAAS 22 " --> pdb=" O LEUAS 18 " (cutoff:3.500A) removed outlier: 5.601A pdb=" N ASPAS 24 " --> pdb=" O SERAS 20 " (cutoff:3.500A) Processing helix chain 'AS' and resid 25 through 82 removed outlier: 5.645A pdb=" N LEUAS 29 " --> pdb=" O PROAS 25 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THRAS 50 " --> pdb=" O ALAAS 46 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N GLUAS 53 " --> pdb=" O ARGAS 49 " (cutoff:3.500A) Processing helix chain 'AS' and resid 83 through 157 removed outlier: 3.591A pdb=" N GLNAS 110 " --> pdb=" O THRAS 106 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALAAS 124 " --> pdb=" O ARGAS 120 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N METAS 138 " --> pdb=" O THRAS 134 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ALAAS 141 " --> pdb=" O ASNAS 137 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYSAS 147 " --> pdb=" O ALAAS 143 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N THRAS 155 " --> pdb=" O GLUAS 151 " (cutoff:3.500A) Processing helix chain 'AS' and resid 163 through 190 removed outlier: 3.565A pdb=" N ARGAS 170 " --> pdb=" O SERAS 166 " (cutoff:3.500A) Processing helix chain 'AS' and resid 191 through 215 removed outlier: 3.716A pdb=" N ASNAS 195 " --> pdb=" O PHEAS 191 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLNAS 196 " --> pdb=" O GLYAS 192 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLNAS 199 " --> pdb=" O ASNAS 195 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLYAS 205 " --> pdb=" O GLUAS 201 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N VALAS 206 " --> pdb=" O ALAAS 202 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLUAS 207 " --> pdb=" O SERAS 203 " (cutoff:3.500A) Processing helix chain 'F' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA F 22 " --> pdb=" O LEU F 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASP F 24 " --> pdb=" O SER F 20 " (cutoff:3.500A) Processing helix chain 'F' and resid 25 through 82 removed outlier: 3.889A pdb=" N LEU F 29 " --> pdb=" O PRO F 25 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N VAL F 33 " --> pdb=" O LEU F 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE F 34 " --> pdb=" O GLU F 30 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLN F 37 " --> pdb=" O VAL F 33 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLU F 38 " --> pdb=" O ILE F 34 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLU F 53 " --> pdb=" O ARG F 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYS F 55 " --> pdb=" O ILE F 51 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU F 77 " --> pdb=" O ASP F 73 " (cutoff:3.500A) Processing helix chain 'F' and resid 83 through 144 removed outlier: 3.551A pdb=" N ASN F 117 " --> pdb=" O THR F 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASN F 137 " --> pdb=" O LYS F 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N MET F 138 " --> pdb=" O THR F 134 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALA F 141 " --> pdb=" O ASN F 137 " (cutoff:3.500A) Processing helix chain 'F' and resid 146 through 151 Processing helix chain 'F' and resid 161 through 191 removed outlier: 4.186A pdb=" N THR F 165 " --> pdb=" O THR F 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARG F 170 " --> pdb=" O SER F 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLY F 186 " --> pdb=" O SER F 182 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N PHE F 191 " --> pdb=" O GLU F 187 " (cutoff:3.500A) Processing helix chain 'F' and resid 192 through 215 removed outlier: 3.514A pdb=" N GLN F 196 " --> pdb=" O GLY F 192 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLN F 199 " --> pdb=" O ASN F 195 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N SER F 204 " --> pdb=" O LEU F 200 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLY F 205 " --> pdb=" O GLU F 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VAL F 206 " --> pdb=" O ALA F 202 " (cutoff:3.500A) Processing helix chain 'J' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA J 22 " --> pdb=" O LEU J 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASP J 24 " --> pdb=" O SER J 20 " (cutoff:3.500A) Processing helix chain 'J' and resid 25 through 82 removed outlier: 3.890A pdb=" N LEU J 29 " --> pdb=" O PRO J 25 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N VAL J 33 " --> pdb=" O LEU J 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE J 34 " --> pdb=" O GLU J 30 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLN J 37 " --> pdb=" O VAL J 33 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLU J 38 " --> pdb=" O ILE J 34 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLU J 53 " --> pdb=" O ARG J 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYS J 55 " --> pdb=" O ILE J 51 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEU J 77 " --> pdb=" O ASP J 73 " (cutoff:3.500A) Processing helix chain 'J' and resid 83 through 144 removed outlier: 3.550A pdb=" N ASN J 117 " --> pdb=" O THR J 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASN J 137 " --> pdb=" O LYS J 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N MET J 138 " --> pdb=" O THR J 134 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALA J 141 " --> pdb=" O ASN J 137 " (cutoff:3.500A) Processing helix chain 'J' and resid 146 through 151 Processing helix chain 'J' and resid 161 through 191 removed outlier: 4.186A pdb=" N THR J 165 " --> pdb=" O THR J 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARG J 170 " --> pdb=" O SER J 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLY J 186 " --> pdb=" O SER J 182 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N PHE J 191 " --> pdb=" O GLU J 187 " (cutoff:3.500A) Processing helix chain 'J' and resid 192 through 215 removed outlier: 3.513A pdb=" N GLN J 196 " --> pdb=" O GLY J 192 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLN J 199 " --> pdb=" O ASN J 195 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N SER J 204 " --> pdb=" O LEU J 200 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLY J 205 " --> pdb=" O GLU J 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VAL J 206 " --> pdb=" O ALA J 202 " (cutoff:3.500A) Processing helix chain 'P' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA P 22 " --> pdb=" O LEU P 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASP P 24 " --> pdb=" O SER P 20 " (cutoff:3.500A) Processing helix chain 'P' and resid 25 through 82 removed outlier: 3.889A pdb=" N LEU P 29 " --> pdb=" O PRO P 25 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N VAL P 33 " --> pdb=" O LEU P 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE P 34 " --> pdb=" O GLU P 30 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLN P 37 " --> pdb=" O VAL P 33 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLU P 38 " --> pdb=" O ILE P 34 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLU P 53 " --> pdb=" O ARG P 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYS P 55 " --> pdb=" O ILE P 51 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU P 77 " --> pdb=" O ASP P 73 " (cutoff:3.500A) Processing helix chain 'P' and resid 83 through 144 removed outlier: 3.551A pdb=" N ASN P 117 " --> pdb=" O THR P 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASN P 137 " --> pdb=" O LYS P 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N MET P 138 " --> pdb=" O THR P 134 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALA P 141 " --> pdb=" O ASN P 137 " (cutoff:3.500A) Processing helix chain 'P' and resid 146 through 151 Processing helix chain 'P' and resid 161 through 191 removed outlier: 4.186A pdb=" N THR P 165 " --> pdb=" O THR P 161 " (cutoff:3.500A) removed outlier: 4.860A pdb=" N ARG P 170 " --> pdb=" O SER P 166 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLY P 186 " --> pdb=" O SER P 182 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N PHE P 191 " --> pdb=" O GLU P 187 " (cutoff:3.500A) Processing helix chain 'P' and resid 192 through 215 removed outlier: 3.513A pdb=" N GLN P 196 " --> pdb=" O GLY P 192 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N GLN P 199 " --> pdb=" O ASN P 195 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N SER P 204 " --> pdb=" O LEU P 200 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLY P 205 " --> pdb=" O GLU P 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VAL P 206 " --> pdb=" O ALA P 202 " (cutoff:3.500A) Processing helix chain 'V' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA V 22 " --> pdb=" O LEU V 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASP V 24 " --> pdb=" O SER V 20 " (cutoff:3.500A) Processing helix chain 'V' and resid 25 through 82 removed outlier: 3.889A pdb=" N LEU V 29 " --> pdb=" O PRO V 25 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N VAL V 33 " --> pdb=" O LEU V 29 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE V 34 " --> pdb=" O GLU V 30 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLN V 37 " --> pdb=" O VAL V 33 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLU V 38 " --> pdb=" O ILE V 34 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLU V 53 " --> pdb=" O ARG V 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYS V 55 " --> pdb=" O ILE V 51 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU V 77 " --> pdb=" O ASP V 73 " (cutoff:3.500A) Processing helix chain 'V' and resid 83 through 144 removed outlier: 3.552A pdb=" N ASN V 117 " --> pdb=" O THR V 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASN V 137 " --> pdb=" O LYS V 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N MET V 138 " --> pdb=" O THR V 134 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N ALA V 141 " --> pdb=" O ASN V 137 " (cutoff:3.500A) Processing helix chain 'V' and resid 146 through 151 Processing helix chain 'V' and resid 161 through 191 removed outlier: 4.186A pdb=" N THR V 165 " --> pdb=" O THR V 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARG V 170 " --> pdb=" O SER V 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLY V 186 " --> pdb=" O SER V 182 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N PHE V 191 " --> pdb=" O GLU V 187 " (cutoff:3.500A) Processing helix chain 'V' and resid 192 through 215 removed outlier: 3.514A pdb=" N GLN V 196 " --> pdb=" O GLY V 192 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLN V 199 " --> pdb=" O ASN V 195 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N SER V 204 " --> pdb=" O LEU V 200 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLY V 205 " --> pdb=" O GLU V 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VAL V 206 " --> pdb=" O ALA V 202 " (cutoff:3.500A) Processing helix chain '1' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA 1 22 " --> pdb=" O LEU 1 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASP 1 24 " --> pdb=" O SER 1 20 " (cutoff:3.500A) Processing helix chain '1' and resid 25 through 82 removed outlier: 3.889A pdb=" N LEU 1 29 " --> pdb=" O PRO 1 25 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N VAL 1 33 " --> pdb=" O LEU 1 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE 1 34 " --> pdb=" O GLU 1 30 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N GLN 1 37 " --> pdb=" O VAL 1 33 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLU 1 38 " --> pdb=" O ILE 1 34 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLU 1 53 " --> pdb=" O ARG 1 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYS 1 55 " --> pdb=" O ILE 1 51 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU 1 77 " --> pdb=" O ASP 1 73 " (cutoff:3.500A) Processing helix chain '1' and resid 83 through 144 removed outlier: 3.551A pdb=" N ASN 1 117 " --> pdb=" O THR 1 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASN 1 137 " --> pdb=" O LYS 1 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N MET 1 138 " --> pdb=" O THR 1 134 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALA 1 141 " --> pdb=" O ASN 1 137 " (cutoff:3.500A) Processing helix chain '1' and resid 146 through 151 Processing helix chain '1' and resid 161 through 191 removed outlier: 4.186A pdb=" N THR 1 165 " --> pdb=" O THR 1 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARG 1 170 " --> pdb=" O SER 1 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLY 1 186 " --> pdb=" O SER 1 182 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N PHE 1 191 " --> pdb=" O GLU 1 187 " (cutoff:3.500A) Processing helix chain '1' and resid 192 through 215 removed outlier: 3.513A pdb=" N GLN 1 196 " --> pdb=" O GLY 1 192 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLN 1 199 " --> pdb=" O ASN 1 195 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N SER 1 204 " --> pdb=" O LEU 1 200 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N GLY 1 205 " --> pdb=" O GLU 1 201 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N VAL 1 206 " --> pdb=" O ALA 1 202 " (cutoff:3.500A) Processing helix chain '7' and resid 2 through 24 removed outlier: 3.543A pdb=" N ALA 7 22 " --> pdb=" O LEU 7 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASP 7 24 " --> pdb=" O SER 7 20 " (cutoff:3.500A) Processing helix chain '7' and resid 25 through 82 removed outlier: 3.888A pdb=" N LEU 7 29 " --> pdb=" O PRO 7 25 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N VAL 7 33 " --> pdb=" O LEU 7 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE 7 34 " --> pdb=" O GLU 7 30 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLN 7 37 " --> pdb=" O VAL 7 33 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLU 7 38 " --> pdb=" O ILE 7 34 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLU 7 53 " --> pdb=" O ARG 7 49 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N LYS 7 55 " --> pdb=" O ILE 7 51 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEU 7 77 " --> pdb=" O ASP 7 73 " (cutoff:3.500A) Processing helix chain '7' and resid 83 through 144 removed outlier: 3.551A pdb=" N ASN 7 117 " --> pdb=" O THR 7 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASN 7 137 " --> pdb=" O LYS 7 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N MET 7 138 " --> pdb=" O THR 7 134 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N ALA 7 141 " --> pdb=" O ASN 7 137 " (cutoff:3.500A) Processing helix chain '7' and resid 146 through 151 Processing helix chain '7' and resid 161 through 191 removed outlier: 4.186A pdb=" N THR 7 165 " --> pdb=" O THR 7 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARG 7 170 " --> pdb=" O SER 7 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLY 7 186 " --> pdb=" O SER 7 182 " (cutoff:3.500A) Processing helix chain '7' and resid 192 through 215 removed outlier: 3.514A pdb=" N GLN 7 196 " --> pdb=" O GLY 7 192 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N GLN 7 199 " --> pdb=" O ASN 7 195 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N SER 7 204 " --> pdb=" O LEU 7 200 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLY 7 205 " --> pdb=" O GLU 7 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VAL 7 206 " --> pdb=" O ALA 7 202 " (cutoff:3.500A) Processing helix chain 'd' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA d 22 " --> pdb=" O LEU d 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASP d 24 " --> pdb=" O SER d 20 " (cutoff:3.500A) Processing helix chain 'd' and resid 25 through 82 removed outlier: 3.888A pdb=" N LEU d 29 " --> pdb=" O PRO d 25 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N VAL d 33 " --> pdb=" O LEU d 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE d 34 " --> pdb=" O GLU d 30 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N GLN d 37 " --> pdb=" O VAL d 33 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLU d 38 " --> pdb=" O ILE d 34 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLU d 53 " --> pdb=" O ARG d 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYS d 55 " --> pdb=" O ILE d 51 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU d 77 " --> pdb=" O ASP d 73 " (cutoff:3.500A) Processing helix chain 'd' and resid 83 through 144 removed outlier: 3.550A pdb=" N ASN d 117 " --> pdb=" O THR d 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASN d 137 " --> pdb=" O LYS d 133 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N MET d 138 " --> pdb=" O THR d 134 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALA d 141 " --> pdb=" O ASN d 137 " (cutoff:3.500A) Processing helix chain 'd' and resid 146 through 151 Processing helix chain 'd' and resid 161 through 191 removed outlier: 4.186A pdb=" N THR d 165 " --> pdb=" O THR d 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARG d 170 " --> pdb=" O SER d 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLY d 186 " --> pdb=" O SER d 182 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N PHE d 191 " --> pdb=" O GLU d 187 " (cutoff:3.500A) Processing helix chain 'd' and resid 192 through 215 removed outlier: 3.514A pdb=" N GLN d 196 " --> pdb=" O GLY d 192 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLN d 199 " --> pdb=" O ASN d 195 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N SER d 204 " --> pdb=" O LEU d 200 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N GLY d 205 " --> pdb=" O GLU d 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VAL d 206 " --> pdb=" O ALA d 202 " (cutoff:3.500A) Processing helix chain 'j' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA j 22 " --> pdb=" O LEU j 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASP j 24 " --> pdb=" O SER j 20 " (cutoff:3.500A) Processing helix chain 'j' and resid 25 through 82 removed outlier: 3.889A pdb=" N LEU j 29 " --> pdb=" O PRO j 25 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N VAL j 33 " --> pdb=" O LEU j 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE j 34 " --> pdb=" O GLU j 30 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLN j 37 " --> pdb=" O VAL j 33 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLU j 38 " --> pdb=" O ILE j 34 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLU j 53 " --> pdb=" O ARG j 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYS j 55 " --> pdb=" O ILE j 51 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU j 77 " --> pdb=" O ASP j 73 " (cutoff:3.500A) Processing helix chain 'j' and resid 83 through 144 removed outlier: 3.551A pdb=" N ASN j 117 " --> pdb=" O THR j 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASN j 137 " --> pdb=" O LYS j 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N MET j 138 " --> pdb=" O THR j 134 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALA j 141 " --> pdb=" O ASN j 137 " (cutoff:3.500A) Processing helix chain 'j' and resid 146 through 151 Processing helix chain 'j' and resid 161 through 191 removed outlier: 4.186A pdb=" N THR j 165 " --> pdb=" O THR j 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARG j 170 " --> pdb=" O SER j 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLY j 186 " --> pdb=" O SER j 182 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N PHE j 191 " --> pdb=" O GLU j 187 " (cutoff:3.500A) Processing helix chain 'j' and resid 192 through 215 removed outlier: 3.514A pdb=" N GLN j 196 " --> pdb=" O GLY j 192 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLN j 199 " --> pdb=" O ASN j 195 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N SER j 204 " --> pdb=" O LEU j 200 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLY j 205 " --> pdb=" O GLU j 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VAL j 206 " --> pdb=" O ALA j 202 " (cutoff:3.500A) Processing helix chain 'p' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA p 22 " --> pdb=" O LEU p 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASP p 24 " --> pdb=" O SER p 20 " (cutoff:3.500A) Processing helix chain 'p' and resid 25 through 82 removed outlier: 3.890A pdb=" N LEU p 29 " --> pdb=" O PRO p 25 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N VAL p 33 " --> pdb=" O LEU p 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE p 34 " --> pdb=" O GLU p 30 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLN p 37 " --> pdb=" O VAL p 33 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLU p 38 " --> pdb=" O ILE p 34 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLU p 53 " --> pdb=" O ARG p 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYS p 55 " --> pdb=" O ILE p 51 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEU p 77 " --> pdb=" O ASP p 73 " (cutoff:3.500A) Processing helix chain 'p' and resid 83 through 144 removed outlier: 3.550A pdb=" N ASN p 117 " --> pdb=" O THR p 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASN p 137 " --> pdb=" O LYS p 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N MET p 138 " --> pdb=" O THR p 134 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALA p 141 " --> pdb=" O ASN p 137 " (cutoff:3.500A) Processing helix chain 'p' and resid 146 through 151 Processing helix chain 'p' and resid 161 through 191 removed outlier: 4.186A pdb=" N THR p 165 " --> pdb=" O THR p 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARG p 170 " --> pdb=" O SER p 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLY p 186 " --> pdb=" O SER p 182 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N PHE p 191 " --> pdb=" O GLU p 187 " (cutoff:3.500A) Processing helix chain 'p' and resid 192 through 215 removed outlier: 3.513A pdb=" N GLN p 196 " --> pdb=" O GLY p 192 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLN p 199 " --> pdb=" O ASN p 195 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N SER p 204 " --> pdb=" O LEU p 200 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLY p 205 " --> pdb=" O GLU p 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VAL p 206 " --> pdb=" O ALA p 202 " (cutoff:3.500A) Processing helix chain 'v' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALA v 22 " --> pdb=" O LEU v 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASP v 24 " --> pdb=" O SER v 20 " (cutoff:3.500A) Processing helix chain 'v' and resid 25 through 82 removed outlier: 3.889A pdb=" N LEU v 29 " --> pdb=" O PRO v 25 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N VAL v 33 " --> pdb=" O LEU v 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE v 34 " --> pdb=" O GLU v 30 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLN v 37 " --> pdb=" O VAL v 33 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLU v 38 " --> pdb=" O ILE v 34 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLU v 53 " --> pdb=" O ARG v 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYS v 55 " --> pdb=" O ILE v 51 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU v 77 " --> pdb=" O ASP v 73 " (cutoff:3.500A) Processing helix chain 'v' and resid 83 through 144 removed outlier: 3.551A pdb=" N ASN v 117 " --> pdb=" O THR v 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASN v 137 " --> pdb=" O LYS v 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N MET v 138 " --> pdb=" O THR v 134 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALA v 141 " --> pdb=" O ASN v 137 " (cutoff:3.500A) Processing helix chain 'v' and resid 146 through 151 Processing helix chain 'v' and resid 161 through 191 removed outlier: 4.186A pdb=" N THR v 165 " --> pdb=" O THR v 161 " (cutoff:3.500A) removed outlier: 4.860A pdb=" N ARG v 170 " --> pdb=" O SER v 166 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLY v 186 " --> pdb=" O SER v 182 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N PHE v 191 " --> pdb=" O GLU v 187 " (cutoff:3.500A) Processing helix chain 'v' and resid 192 through 215 removed outlier: 3.513A pdb=" N GLN v 196 " --> pdb=" O GLY v 192 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N GLN v 199 " --> pdb=" O ASN v 195 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N SER v 204 " --> pdb=" O LEU v 200 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLY v 205 " --> pdb=" O GLU v 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VAL v 206 " --> pdb=" O ALA v 202 " (cutoff:3.500A) Processing helix chain 'AB' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALAAB 22 " --> pdb=" O LEUAB 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASPAB 24 " --> pdb=" O SERAB 20 " (cutoff:3.500A) Processing helix chain 'AB' and resid 25 through 82 removed outlier: 3.889A pdb=" N LEUAB 29 " --> pdb=" O PROAB 25 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N VALAB 33 " --> pdb=" O LEUAB 29 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILEAB 34 " --> pdb=" O GLUAB 30 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLNAB 37 " --> pdb=" O VALAB 33 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLUAB 38 " --> pdb=" O ILEAB 34 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLUAB 53 " --> pdb=" O ARGAB 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYSAB 55 " --> pdb=" O ILEAB 51 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEUAB 77 " --> pdb=" O ASPAB 73 " (cutoff:3.500A) Processing helix chain 'AB' and resid 83 through 144 removed outlier: 3.552A pdb=" N ASNAB 117 " --> pdb=" O THRAB 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASNAB 137 " --> pdb=" O LYSAB 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N METAB 138 " --> pdb=" O THRAB 134 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N ALAAB 141 " --> pdb=" O ASNAB 137 " (cutoff:3.500A) Processing helix chain 'AB' and resid 146 through 151 Processing helix chain 'AB' and resid 161 through 191 removed outlier: 4.186A pdb=" N THRAB 165 " --> pdb=" O THRAB 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARGAB 170 " --> pdb=" O SERAB 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLYAB 186 " --> pdb=" O SERAB 182 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N PHEAB 191 " --> pdb=" O GLUAB 187 " (cutoff:3.500A) Processing helix chain 'AB' and resid 192 through 215 removed outlier: 3.514A pdb=" N GLNAB 196 " --> pdb=" O GLYAB 192 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLNAB 199 " --> pdb=" O ASNAB 195 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N SERAB 204 " --> pdb=" O LEUAB 200 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLYAB 205 " --> pdb=" O GLUAB 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VALAB 206 " --> pdb=" O ALAAB 202 " (cutoff:3.500A) Processing helix chain 'AH' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALAAH 22 " --> pdb=" O LEUAH 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASPAH 24 " --> pdb=" O SERAH 20 " (cutoff:3.500A) Processing helix chain 'AH' and resid 25 through 82 removed outlier: 3.889A pdb=" N LEUAH 29 " --> pdb=" O PROAH 25 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N VALAH 33 " --> pdb=" O LEUAH 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILEAH 34 " --> pdb=" O GLUAH 30 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N GLNAH 37 " --> pdb=" O VALAH 33 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLUAH 38 " --> pdb=" O ILEAH 34 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLUAH 53 " --> pdb=" O ARGAH 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYSAH 55 " --> pdb=" O ILEAH 51 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEUAH 77 " --> pdb=" O ASPAH 73 " (cutoff:3.500A) Processing helix chain 'AH' and resid 83 through 144 removed outlier: 3.551A pdb=" N ASNAH 117 " --> pdb=" O THRAH 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASNAH 137 " --> pdb=" O LYSAH 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N METAH 138 " --> pdb=" O THRAH 134 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALAAH 141 " --> pdb=" O ASNAH 137 " (cutoff:3.500A) Processing helix chain 'AH' and resid 146 through 151 Processing helix chain 'AH' and resid 161 through 191 removed outlier: 4.186A pdb=" N THRAH 165 " --> pdb=" O THRAH 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARGAH 170 " --> pdb=" O SERAH 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLYAH 186 " --> pdb=" O SERAH 182 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N PHEAH 191 " --> pdb=" O GLUAH 187 " (cutoff:3.500A) Processing helix chain 'AH' and resid 192 through 215 removed outlier: 3.513A pdb=" N GLNAH 196 " --> pdb=" O GLYAH 192 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLNAH 199 " --> pdb=" O ASNAH 195 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N SERAH 204 " --> pdb=" O LEUAH 200 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N GLYAH 205 " --> pdb=" O GLUAH 201 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N VALAH 206 " --> pdb=" O ALAAH 202 " (cutoff:3.500A) Processing helix chain 'AN' and resid 2 through 24 removed outlier: 3.543A pdb=" N ALAAN 22 " --> pdb=" O LEUAN 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASPAN 24 " --> pdb=" O SERAN 20 " (cutoff:3.500A) Processing helix chain 'AN' and resid 25 through 82 removed outlier: 3.888A pdb=" N LEUAN 29 " --> pdb=" O PROAN 25 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N VALAN 33 " --> pdb=" O LEUAN 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILEAN 34 " --> pdb=" O GLUAN 30 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLNAN 37 " --> pdb=" O VALAN 33 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLUAN 38 " --> pdb=" O ILEAN 34 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLUAN 53 " --> pdb=" O ARGAN 49 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N LYSAN 55 " --> pdb=" O ILEAN 51 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEUAN 77 " --> pdb=" O ASPAN 73 " (cutoff:3.500A) Processing helix chain 'AN' and resid 83 through 144 removed outlier: 3.551A pdb=" N ASNAN 117 " --> pdb=" O THRAN 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASNAN 137 " --> pdb=" O LYSAN 133 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N METAN 138 " --> pdb=" O THRAN 134 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N ALAAN 141 " --> pdb=" O ASNAN 137 " (cutoff:3.500A) Processing helix chain 'AN' and resid 146 through 151 Processing helix chain 'AN' and resid 161 through 191 removed outlier: 4.186A pdb=" N THRAN 165 " --> pdb=" O THRAN 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARGAN 170 " --> pdb=" O SERAN 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLYAN 186 " --> pdb=" O SERAN 182 " (cutoff:3.500A) Processing helix chain 'AN' and resid 192 through 215 removed outlier: 3.514A pdb=" N GLNAN 196 " --> pdb=" O GLYAN 192 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N GLNAN 199 " --> pdb=" O ASNAN 195 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N SERAN 204 " --> pdb=" O LEUAN 200 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLYAN 205 " --> pdb=" O GLUAN 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VALAN 206 " --> pdb=" O ALAAN 202 " (cutoff:3.500A) Processing helix chain 'AT' and resid 2 through 24 removed outlier: 3.542A pdb=" N ALAAT 22 " --> pdb=" O LEUAT 18 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ASPAT 24 " --> pdb=" O SERAT 20 " (cutoff:3.500A) Processing helix chain 'AT' and resid 25 through 82 removed outlier: 3.888A pdb=" N LEUAT 29 " --> pdb=" O PROAT 25 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N VALAT 33 " --> pdb=" O LEUAT 29 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILEAT 34 " --> pdb=" O GLUAT 30 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N GLNAT 37 " --> pdb=" O VALAT 33 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLUAT 38 " --> pdb=" O ILEAT 34 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLUAT 53 " --> pdb=" O ARGAT 49 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYSAT 55 " --> pdb=" O ILEAT 51 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEUAT 77 " --> pdb=" O ASPAT 73 " (cutoff:3.500A) Processing helix chain 'AT' and resid 83 through 144 removed outlier: 3.550A pdb=" N ASNAT 117 " --> pdb=" O THRAT 113 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASNAT 137 " --> pdb=" O LYSAT 133 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N METAT 138 " --> pdb=" O THRAT 134 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALAAT 141 " --> pdb=" O ASNAT 137 " (cutoff:3.500A) Processing helix chain 'AT' and resid 146 through 151 Processing helix chain 'AT' and resid 161 through 191 removed outlier: 4.186A pdb=" N THRAT 165 " --> pdb=" O THRAT 161 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ARGAT 170 " --> pdb=" O SERAT 166 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLYAT 186 " --> pdb=" O SERAT 182 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N PHEAT 191 " --> pdb=" O GLUAT 187 " (cutoff:3.500A) Processing helix chain 'AT' and resid 192 through 215 removed outlier: 3.514A pdb=" N GLNAT 196 " --> pdb=" O GLYAT 192 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLNAT 199 " --> pdb=" O ASNAT 195 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N SERAT 204 " --> pdb=" O LEUAT 200 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N GLYAT 205 " --> pdb=" O GLUAT 201 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VALAT 206 " --> pdb=" O ALAAT 202 " (cutoff:3.500A) Processing helix chain 'A' and resid 2 through 23 Processing helix chain 'A' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASN A 81 " --> pdb=" O LEU A 77 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLY A 82 " --> pdb=" O ALA A 78 " (cutoff:3.500A) Processing helix chain 'A' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALA A 87 " --> pdb=" O GLU A 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARG A 88 " --> pdb=" O GLU A 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLU A 89 " --> pdb=" O ASN A 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALA A 90 " --> pdb=" O LEU A 86 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LEU A 91 " --> pdb=" O ALA A 87 " (cutoff:3.500A) Processing helix chain 'A' and resid 163 through 177 removed outlier: 3.508A pdb=" N MET A 171 " --> pdb=" O ALA A 167 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N LEU A 176 " --> pdb=" O GLU A 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASP A 177 " --> pdb=" O ASN A 173 " (cutoff:3.500A) Processing helix chain 'A' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLU A 187 " --> pdb=" O GLN A 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLU A 201 " --> pdb=" O PHE A 197 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N SER A 204 " --> pdb=" O LEU A 200 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N VAL A 206 " --> pdb=" O ALA A 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLU A 207 " --> pdb=" O SER A 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU A 209 " --> pdb=" O GLY A 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS A 214 " --> pdb=" O LEU A 210 " (cutoff:3.500A) removed outlier: 5.314A pdb=" N ALA A 215 " --> pdb=" O ALA A 211 " (cutoff:3.500A) Processing helix chain 'K' and resid 2 through 23 Processing helix chain 'K' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASN K 81 " --> pdb=" O LEU K 77 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLY K 82 " --> pdb=" O ALA K 78 " (cutoff:3.500A) Processing helix chain 'K' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALA K 87 " --> pdb=" O GLU K 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARG K 88 " --> pdb=" O GLU K 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLU K 89 " --> pdb=" O ASN K 85 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N ALA K 90 " --> pdb=" O LEU K 86 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LEU K 91 " --> pdb=" O ALA K 87 " (cutoff:3.500A) Processing helix chain 'K' and resid 163 through 177 removed outlier: 3.508A pdb=" N MET K 171 " --> pdb=" O ALA K 167 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N LEU K 176 " --> pdb=" O GLU K 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASP K 177 " --> pdb=" O ASN K 173 " (cutoff:3.500A) Processing helix chain 'K' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLU K 187 " --> pdb=" O GLN K 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLU K 201 " --> pdb=" O PHE K 197 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N SER K 204 " --> pdb=" O LEU K 200 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N VAL K 206 " --> pdb=" O ALA K 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLU K 207 " --> pdb=" O SER K 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU K 209 " --> pdb=" O GLY K 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS K 214 " --> pdb=" O LEU K 210 " (cutoff:3.500A) removed outlier: 5.315A pdb=" N ALA K 215 " --> pdb=" O ALA K 211 " (cutoff:3.500A) Processing helix chain 'Q' and resid 2 through 23 Processing helix chain 'Q' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASN Q 81 " --> pdb=" O LEU Q 77 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLY Q 82 " --> pdb=" O ALA Q 78 " (cutoff:3.500A) Processing helix chain 'Q' and resid 83 through 157 removed outlier: 4.898A pdb=" N ALA Q 87 " --> pdb=" O GLU Q 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARG Q 88 " --> pdb=" O GLU Q 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLU Q 89 " --> pdb=" O ASN Q 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALA Q 90 " --> pdb=" O LEU Q 86 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LEU Q 91 " --> pdb=" O ALA Q 87 " (cutoff:3.500A) Processing helix chain 'Q' and resid 163 through 177 removed outlier: 3.508A pdb=" N MET Q 171 " --> pdb=" O ALA Q 167 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N LEU Q 176 " --> pdb=" O GLU Q 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASP Q 177 " --> pdb=" O ASN Q 173 " (cutoff:3.500A) Processing helix chain 'Q' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLU Q 187 " --> pdb=" O GLN Q 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLU Q 201 " --> pdb=" O PHE Q 197 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N SER Q 204 " --> pdb=" O LEU Q 200 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N VAL Q 206 " --> pdb=" O ALA Q 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLU Q 207 " --> pdb=" O SER Q 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU Q 209 " --> pdb=" O GLY Q 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS Q 214 " --> pdb=" O LEU Q 210 " (cutoff:3.500A) removed outlier: 5.314A pdb=" N ALA Q 215 " --> pdb=" O ALA Q 211 " (cutoff:3.500A) Processing helix chain 'W' and resid 2 through 23 Processing helix chain 'W' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASN W 81 " --> pdb=" O LEU W 77 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLY W 82 " --> pdb=" O ALA W 78 " (cutoff:3.500A) Processing helix chain 'W' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALA W 87 " --> pdb=" O GLU W 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARG W 88 " --> pdb=" O GLU W 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLU W 89 " --> pdb=" O ASN W 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALA W 90 " --> pdb=" O LEU W 86 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LEU W 91 " --> pdb=" O ALA W 87 " (cutoff:3.500A) Processing helix chain 'W' and resid 163 through 177 removed outlier: 3.507A pdb=" N MET W 171 " --> pdb=" O ALA W 167 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N LEU W 176 " --> pdb=" O GLU W 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASP W 177 " --> pdb=" O ASN W 173 " (cutoff:3.500A) Processing helix chain 'W' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLU W 187 " --> pdb=" O GLN W 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLU W 201 " --> pdb=" O PHE W 197 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N SER W 204 " --> pdb=" O LEU W 200 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N VAL W 206 " --> pdb=" O ALA W 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLU W 207 " --> pdb=" O SER W 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU W 209 " --> pdb=" O GLY W 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS W 214 " --> pdb=" O LEU W 210 " (cutoff:3.500A) removed outlier: 5.315A pdb=" N ALA W 215 " --> pdb=" O ALA W 211 " (cutoff:3.500A) Processing helix chain '2' and resid 2 through 23 Processing helix chain '2' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASN 2 81 " --> pdb=" O LEU 2 77 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLY 2 82 " --> pdb=" O ALA 2 78 " (cutoff:3.500A) Processing helix chain '2' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALA 2 87 " --> pdb=" O GLU 2 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARG 2 88 " --> pdb=" O GLU 2 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLU 2 89 " --> pdb=" O ASN 2 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALA 2 90 " --> pdb=" O LEU 2 86 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N LEU 2 91 " --> pdb=" O ALA 2 87 " (cutoff:3.500A) Processing helix chain '2' and resid 163 through 177 removed outlier: 3.508A pdb=" N MET 2 171 " --> pdb=" O ALA 2 167 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N LEU 2 176 " --> pdb=" O GLU 2 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASP 2 177 " --> pdb=" O ASN 2 173 " (cutoff:3.500A) Processing helix chain '2' and resid 182 through 215 removed outlier: 4.390A pdb=" N GLU 2 187 " --> pdb=" O GLN 2 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLU 2 201 " --> pdb=" O PHE 2 197 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N SER 2 204 " --> pdb=" O LEU 2 200 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N VAL 2 206 " --> pdb=" O ALA 2 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLU 2 207 " --> pdb=" O SER 2 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU 2 209 " --> pdb=" O GLY 2 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS 2 214 " --> pdb=" O LEU 2 210 " (cutoff:3.500A) removed outlier: 5.315A pdb=" N ALA 2 215 " --> pdb=" O ALA 2 211 " (cutoff:3.500A) Processing helix chain '8' and resid 2 through 23 Processing helix chain '8' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASN 8 81 " --> pdb=" O LEU 8 77 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLY 8 82 " --> pdb=" O ALA 8 78 " (cutoff:3.500A) Processing helix chain '8' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALA 8 87 " --> pdb=" O GLU 8 83 " (cutoff:3.500A) removed outlier: 5.028A pdb=" N ARG 8 88 " --> pdb=" O GLU 8 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLU 8 89 " --> pdb=" O ASN 8 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALA 8 90 " --> pdb=" O LEU 8 86 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N LEU 8 91 " --> pdb=" O ALA 8 87 " (cutoff:3.500A) Processing helix chain '8' and resid 163 through 177 removed outlier: 3.508A pdb=" N MET 8 171 " --> pdb=" O ALA 8 167 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N LEU 8 176 " --> pdb=" O GLU 8 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASP 8 177 " --> pdb=" O ASN 8 173 " (cutoff:3.500A) Processing helix chain '8' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLU 8 187 " --> pdb=" O GLN 8 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLU 8 201 " --> pdb=" O PHE 8 197 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N SER 8 204 " --> pdb=" O LEU 8 200 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N VAL 8 206 " --> pdb=" O ALA 8 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLU 8 207 " --> pdb=" O SER 8 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU 8 209 " --> pdb=" O GLY 8 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS 8 214 " --> pdb=" O LEU 8 210 " (cutoff:3.500A) removed outlier: 5.314A pdb=" N ALA 8 215 " --> pdb=" O ALA 8 211 " (cutoff:3.500A) Processing helix chain 'e' and resid 2 through 23 Processing helix chain 'e' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASN e 81 " --> pdb=" O LEU e 77 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLY e 82 " --> pdb=" O ALA e 78 " (cutoff:3.500A) Processing helix chain 'e' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALA e 87 " --> pdb=" O GLU e 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARG e 88 " --> pdb=" O GLU e 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLU e 89 " --> pdb=" O ASN e 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALA e 90 " --> pdb=" O LEU e 86 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LEU e 91 " --> pdb=" O ALA e 87 " (cutoff:3.500A) Processing helix chain 'e' and resid 163 through 177 removed outlier: 3.507A pdb=" N MET e 171 " --> pdb=" O ALA e 167 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N LEU e 176 " --> pdb=" O GLU e 172 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ASP e 177 " --> pdb=" O ASN e 173 " (cutoff:3.500A) Processing helix chain 'e' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLU e 187 " --> pdb=" O GLN e 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLU e 201 " --> pdb=" O PHE e 197 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N SER e 204 " --> pdb=" O LEU e 200 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N VAL e 206 " --> pdb=" O ALA e 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLU e 207 " --> pdb=" O SER e 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU e 209 " --> pdb=" O GLY e 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS e 214 " --> pdb=" O LEU e 210 " (cutoff:3.500A) removed outlier: 5.314A pdb=" N ALA e 215 " --> pdb=" O ALA e 211 " (cutoff:3.500A) Processing helix chain 'k' and resid 2 through 23 Processing helix chain 'k' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASN k 81 " --> pdb=" O LEU k 77 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLY k 82 " --> pdb=" O ALA k 78 " (cutoff:3.500A) Processing helix chain 'k' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALA k 87 " --> pdb=" O GLU k 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARG k 88 " --> pdb=" O GLU k 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLU k 89 " --> pdb=" O ASN k 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALA k 90 " --> pdb=" O LEU k 86 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LEU k 91 " --> pdb=" O ALA k 87 " (cutoff:3.500A) Processing helix chain 'k' and resid 163 through 177 removed outlier: 3.508A pdb=" N MET k 171 " --> pdb=" O ALA k 167 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N LEU k 176 " --> pdb=" O GLU k 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASP k 177 " --> pdb=" O ASN k 173 " (cutoff:3.500A) Processing helix chain 'k' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLU k 187 " --> pdb=" O GLN k 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLU k 201 " --> pdb=" O PHE k 197 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N SER k 204 " --> pdb=" O LEU k 200 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N VAL k 206 " --> pdb=" O ALA k 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLU k 207 " --> pdb=" O SER k 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU k 209 " --> pdb=" O GLY k 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS k 214 " --> pdb=" O LEU k 210 " (cutoff:3.500A) removed outlier: 5.314A pdb=" N ALA k 215 " --> pdb=" O ALA k 211 " (cutoff:3.500A) Processing helix chain 'q' and resid 2 through 23 Processing helix chain 'q' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASN q 81 " --> pdb=" O LEU q 77 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLY q 82 " --> pdb=" O ALA q 78 " (cutoff:3.500A) Processing helix chain 'q' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALA q 87 " --> pdb=" O GLU q 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARG q 88 " --> pdb=" O GLU q 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLU q 89 " --> pdb=" O ASN q 85 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N ALA q 90 " --> pdb=" O LEU q 86 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LEU q 91 " --> pdb=" O ALA q 87 " (cutoff:3.500A) Processing helix chain 'q' and resid 163 through 177 removed outlier: 3.508A pdb=" N MET q 171 " --> pdb=" O ALA q 167 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N LEU q 176 " --> pdb=" O GLU q 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASP q 177 " --> pdb=" O ASN q 173 " (cutoff:3.500A) Processing helix chain 'q' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLU q 187 " --> pdb=" O GLN q 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLU q 201 " --> pdb=" O PHE q 197 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N SER q 204 " --> pdb=" O LEU q 200 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N VAL q 206 " --> pdb=" O ALA q 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLU q 207 " --> pdb=" O SER q 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU q 209 " --> pdb=" O GLY q 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS q 214 " --> pdb=" O LEU q 210 " (cutoff:3.500A) removed outlier: 5.315A pdb=" N ALA q 215 " --> pdb=" O ALA q 211 " (cutoff:3.500A) Processing helix chain 'w' and resid 2 through 23 Processing helix chain 'w' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASN w 81 " --> pdb=" O LEU w 77 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLY w 82 " --> pdb=" O ALA w 78 " (cutoff:3.500A) Processing helix chain 'w' and resid 83 through 157 removed outlier: 4.898A pdb=" N ALA w 87 " --> pdb=" O GLU w 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARG w 88 " --> pdb=" O GLU w 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLU w 89 " --> pdb=" O ASN w 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALA w 90 " --> pdb=" O LEU w 86 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LEU w 91 " --> pdb=" O ALA w 87 " (cutoff:3.500A) Processing helix chain 'w' and resid 163 through 177 removed outlier: 3.508A pdb=" N MET w 171 " --> pdb=" O ALA w 167 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N LEU w 176 " --> pdb=" O GLU w 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASP w 177 " --> pdb=" O ASN w 173 " (cutoff:3.500A) Processing helix chain 'w' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLU w 187 " --> pdb=" O GLN w 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLU w 201 " --> pdb=" O PHE w 197 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N SER w 204 " --> pdb=" O LEU w 200 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N VAL w 206 " --> pdb=" O ALA w 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLU w 207 " --> pdb=" O SER w 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU w 209 " --> pdb=" O GLY w 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS w 214 " --> pdb=" O LEU w 210 " (cutoff:3.500A) removed outlier: 5.314A pdb=" N ALA w 215 " --> pdb=" O ALA w 211 " (cutoff:3.500A) Processing helix chain 'AC' and resid 2 through 23 Processing helix chain 'AC' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASNAC 81 " --> pdb=" O LEUAC 77 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLYAC 82 " --> pdb=" O ALAAC 78 " (cutoff:3.500A) Processing helix chain 'AC' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALAAC 87 " --> pdb=" O GLUAC 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARGAC 88 " --> pdb=" O GLUAC 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLUAC 89 " --> pdb=" O ASNAC 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALAAC 90 " --> pdb=" O LEUAC 86 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LEUAC 91 " --> pdb=" O ALAAC 87 " (cutoff:3.500A) Processing helix chain 'AC' and resid 163 through 177 removed outlier: 3.507A pdb=" N METAC 171 " --> pdb=" O ALAAC 167 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N LEUAC 176 " --> pdb=" O GLUAC 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASPAC 177 " --> pdb=" O ASNAC 173 " (cutoff:3.500A) Processing helix chain 'AC' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLUAC 187 " --> pdb=" O GLNAC 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLUAC 201 " --> pdb=" O PHEAC 197 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N SERAC 204 " --> pdb=" O LEUAC 200 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N VALAC 206 " --> pdb=" O ALAAC 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLUAC 207 " --> pdb=" O SERAC 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLUAC 209 " --> pdb=" O GLYAC 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYSAC 214 " --> pdb=" O LEUAC 210 " (cutoff:3.500A) removed outlier: 5.315A pdb=" N ALAAC 215 " --> pdb=" O ALAAC 211 " (cutoff:3.500A) Processing helix chain 'AI' and resid 2 through 23 Processing helix chain 'AI' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASNAI 81 " --> pdb=" O LEUAI 77 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLYAI 82 " --> pdb=" O ALAAI 78 " (cutoff:3.500A) Processing helix chain 'AI' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALAAI 87 " --> pdb=" O GLUAI 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARGAI 88 " --> pdb=" O GLUAI 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLUAI 89 " --> pdb=" O ASNAI 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALAAI 90 " --> pdb=" O LEUAI 86 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N LEUAI 91 " --> pdb=" O ALAAI 87 " (cutoff:3.500A) Processing helix chain 'AI' and resid 163 through 177 removed outlier: 3.508A pdb=" N METAI 171 " --> pdb=" O ALAAI 167 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N LEUAI 176 " --> pdb=" O GLUAI 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASPAI 177 " --> pdb=" O ASNAI 173 " (cutoff:3.500A) Processing helix chain 'AI' and resid 182 through 215 removed outlier: 4.390A pdb=" N GLUAI 187 " --> pdb=" O GLNAI 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLUAI 201 " --> pdb=" O PHEAI 197 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N SERAI 204 " --> pdb=" O LEUAI 200 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N VALAI 206 " --> pdb=" O ALAAI 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLUAI 207 " --> pdb=" O SERAI 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLUAI 209 " --> pdb=" O GLYAI 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYSAI 214 " --> pdb=" O LEUAI 210 " (cutoff:3.500A) removed outlier: 5.315A pdb=" N ALAAI 215 " --> pdb=" O ALAAI 211 " (cutoff:3.500A) Processing helix chain 'AO' and resid 2 through 23 Processing helix chain 'AO' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASNAO 81 " --> pdb=" O LEUAO 77 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLYAO 82 " --> pdb=" O ALAAO 78 " (cutoff:3.500A) Processing helix chain 'AO' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALAAO 87 " --> pdb=" O GLUAO 83 " (cutoff:3.500A) removed outlier: 5.028A pdb=" N ARGAO 88 " --> pdb=" O GLUAO 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLUAO 89 " --> pdb=" O ASNAO 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALAAO 90 " --> pdb=" O LEUAO 86 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N LEUAO 91 " --> pdb=" O ALAAO 87 " (cutoff:3.500A) Processing helix chain 'AO' and resid 163 through 177 removed outlier: 3.508A pdb=" N METAO 171 " --> pdb=" O ALAAO 167 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N LEUAO 176 " --> pdb=" O GLUAO 172 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASPAO 177 " --> pdb=" O ASNAO 173 " (cutoff:3.500A) Processing helix chain 'AO' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLUAO 187 " --> pdb=" O GLNAO 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLUAO 201 " --> pdb=" O PHEAO 197 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N SERAO 204 " --> pdb=" O LEUAO 200 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N VALAO 206 " --> pdb=" O ALAAO 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLUAO 207 " --> pdb=" O SERAO 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLUAO 209 " --> pdb=" O GLYAO 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYSAO 214 " --> pdb=" O LEUAO 210 " (cutoff:3.500A) removed outlier: 5.314A pdb=" N ALAAO 215 " --> pdb=" O ALAAO 211 " (cutoff:3.500A) Processing helix chain 'AU' and resid 2 through 23 Processing helix chain 'AU' and resid 24 through 82 removed outlier: 3.507A pdb=" N ASNAU 81 " --> pdb=" O LEUAU 77 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLYAU 82 " --> pdb=" O ALAAU 78 " (cutoff:3.500A) Processing helix chain 'AU' and resid 83 through 157 removed outlier: 4.897A pdb=" N ALAAU 87 " --> pdb=" O GLUAU 83 " (cutoff:3.500A) removed outlier: 5.029A pdb=" N ARGAU 88 " --> pdb=" O GLUAU 84 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLUAU 89 " --> pdb=" O ASNAU 85 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ALAAU 90 " --> pdb=" O LEUAU 86 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LEUAU 91 " --> pdb=" O ALAAU 87 " (cutoff:3.500A) Processing helix chain 'AU' and resid 163 through 177 removed outlier: 3.507A pdb=" N METAU 171 " --> pdb=" O ALAAU 167 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N LEUAU 176 " --> pdb=" O GLUAU 172 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ASPAU 177 " --> pdb=" O ASNAU 173 " (cutoff:3.500A) Processing helix chain 'AU' and resid 182 through 215 removed outlier: 4.389A pdb=" N GLUAU 187 " --> pdb=" O GLNAU 183 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N GLUAU 201 " --> pdb=" O PHEAU 197 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N SERAU 204 " --> pdb=" O LEUAU 200 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N VALAU 206 " --> pdb=" O ALAAU 202 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLUAU 207 " --> pdb=" O SERAU 203 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLUAU 209 " --> pdb=" O GLYAU 205 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYSAU 214 " --> pdb=" O LEUAU 210 " (cutoff:3.500A) removed outlier: 5.314A pdb=" N ALAAU 215 " --> pdb=" O ALAAU 211 " (cutoff:3.500A) Processing helix chain 'B' and resid 2 through 23 Processing helix chain 'B' and resid 24 through 82 removed outlier: 4.005A pdb=" N GLU B 30 " --> pdb=" O GLU B 26 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ASP B 35 " --> pdb=" O GLN B 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLN B 42 " --> pdb=" O GLU B 38 " (cutoff:3.500A) Processing helix chain 'B' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASN B 117 " --> pdb=" O THR B 113 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ARG B 119 " --> pdb=" O SER B 115 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG B 120 " --> pdb=" O GLU B 116 " (cutoff:3.500A) Processing helix chain 'B' and resid 163 through 190 Processing helix chain 'B' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLN B 196 " --> pdb=" O GLY B 192 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHE B 197 " --> pdb=" O ILE B 193 " (cutoff:3.500A) Processing helix chain 'L' and resid 2 through 23 Processing helix chain 'L' and resid 24 through 82 removed outlier: 4.005A pdb=" N GLU L 30 " --> pdb=" O GLU L 26 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASP L 35 " --> pdb=" O GLN L 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLN L 42 " --> pdb=" O GLU L 38 " (cutoff:3.500A) Processing helix chain 'L' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASN L 117 " --> pdb=" O THR L 113 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ARG L 119 " --> pdb=" O SER L 115 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG L 120 " --> pdb=" O GLU L 116 " (cutoff:3.500A) Processing helix chain 'L' and resid 163 through 190 Processing helix chain 'L' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLN L 196 " --> pdb=" O GLY L 192 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHE L 197 " --> pdb=" O ILE L 193 " (cutoff:3.500A) Processing helix chain 'R' and resid 2 through 23 Processing helix chain 'R' and resid 24 through 82 removed outlier: 4.004A pdb=" N GLU R 30 " --> pdb=" O GLU R 26 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ASP R 35 " --> pdb=" O GLN R 31 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N GLN R 42 " --> pdb=" O GLU R 38 " (cutoff:3.500A) Processing helix chain 'R' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASN R 117 " --> pdb=" O THR R 113 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ARG R 119 " --> pdb=" O SER R 115 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG R 120 " --> pdb=" O GLU R 116 " (cutoff:3.500A) Processing helix chain 'R' and resid 163 through 190 Processing helix chain 'R' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLN R 196 " --> pdb=" O GLY R 192 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHE R 197 " --> pdb=" O ILE R 193 " (cutoff:3.500A) Processing helix chain 'X' and resid 2 through 23 Processing helix chain 'X' and resid 24 through 82 removed outlier: 4.005A pdb=" N GLU X 30 " --> pdb=" O GLU X 26 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASP X 35 " --> pdb=" O GLN X 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLN X 42 " --> pdb=" O GLU X 38 " (cutoff:3.500A) Processing helix chain 'X' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASN X 117 " --> pdb=" O THR X 113 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ARG X 119 " --> pdb=" O SER X 115 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ARG X 120 " --> pdb=" O GLU X 116 " (cutoff:3.500A) Processing helix chain 'X' and resid 163 through 190 Processing helix chain 'X' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLN X 196 " --> pdb=" O GLY X 192 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHE X 197 " --> pdb=" O ILE X 193 " (cutoff:3.500A) Processing helix chain '3' and resid 2 through 23 Processing helix chain '3' and resid 24 through 82 removed outlier: 4.005A pdb=" N GLU 3 30 " --> pdb=" O GLU 3 26 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASP 3 35 " --> pdb=" O GLN 3 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLN 3 42 " --> pdb=" O GLU 3 38 " (cutoff:3.500A) Processing helix chain '3' and resid 83 through 155 removed outlier: 4.224A pdb=" N ASN 3 117 " --> pdb=" O THR 3 113 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ARG 3 119 " --> pdb=" O SER 3 115 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ARG 3 120 " --> pdb=" O GLU 3 116 " (cutoff:3.500A) Processing helix chain '3' and resid 163 through 190 Processing helix chain '3' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLN 3 196 " --> pdb=" O GLY 3 192 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHE 3 197 " --> pdb=" O ILE 3 193 " (cutoff:3.500A) Processing helix chain '9' and resid 2 through 23 Processing helix chain '9' and resid 24 through 82 removed outlier: 4.004A pdb=" N GLU 9 30 " --> pdb=" O GLU 9 26 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ASP 9 35 " --> pdb=" O GLN 9 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLN 9 42 " --> pdb=" O GLU 9 38 " (cutoff:3.500A) Processing helix chain '9' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASN 9 117 " --> pdb=" O THR 9 113 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ARG 9 119 " --> pdb=" O SER 9 115 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ARG 9 120 " --> pdb=" O GLU 9 116 " (cutoff:3.500A) Processing helix chain '9' and resid 163 through 190 Processing helix chain '9' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLN 9 196 " --> pdb=" O GLY 9 192 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N PHE 9 197 " --> pdb=" O ILE 9 193 " (cutoff:3.500A) Processing helix chain 'f' and resid 2 through 23 Processing helix chain 'f' and resid 24 through 82 removed outlier: 4.005A pdb=" N GLU f 30 " --> pdb=" O GLU f 26 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ASP f 35 " --> pdb=" O GLN f 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLN f 42 " --> pdb=" O GLU f 38 " (cutoff:3.500A) Processing helix chain 'f' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASN f 117 " --> pdb=" O THR f 113 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ARG f 119 " --> pdb=" O SER f 115 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG f 120 " --> pdb=" O GLU f 116 " (cutoff:3.500A) Processing helix chain 'f' and resid 163 through 190 Processing helix chain 'f' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLN f 196 " --> pdb=" O GLY f 192 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N PHE f 197 " --> pdb=" O ILE f 193 " (cutoff:3.500A) Processing helix chain 'l' and resid 2 through 23 Processing helix chain 'l' and resid 24 through 82 removed outlier: 4.005A pdb=" N GLU l 30 " --> pdb=" O GLU l 26 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ASP l 35 " --> pdb=" O GLN l 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLN l 42 " --> pdb=" O GLU l 38 " (cutoff:3.500A) Processing helix chain 'l' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASN l 117 " --> pdb=" O THR l 113 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ARG l 119 " --> pdb=" O SER l 115 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG l 120 " --> pdb=" O GLU l 116 " (cutoff:3.500A) Processing helix chain 'l' and resid 163 through 190 Processing helix chain 'l' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLN l 196 " --> pdb=" O GLY l 192 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHE l 197 " --> pdb=" O ILE l 193 " (cutoff:3.500A) Processing helix chain 'r' and resid 2 through 23 Processing helix chain 'r' and resid 24 through 82 removed outlier: 4.005A pdb=" N GLU r 30 " --> pdb=" O GLU r 26 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASP r 35 " --> pdb=" O GLN r 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLN r 42 " --> pdb=" O GLU r 38 " (cutoff:3.500A) Processing helix chain 'r' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASN r 117 " --> pdb=" O THR r 113 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ARG r 119 " --> pdb=" O SER r 115 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG r 120 " --> pdb=" O GLU r 116 " (cutoff:3.500A) Processing helix chain 'r' and resid 163 through 190 Processing helix chain 'r' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLN r 196 " --> pdb=" O GLY r 192 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHE r 197 " --> pdb=" O ILE r 193 " (cutoff:3.500A) Processing helix chain 'x' and resid 2 through 23 Processing helix chain 'x' and resid 24 through 82 removed outlier: 4.004A pdb=" N GLU x 30 " --> pdb=" O GLU x 26 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ASP x 35 " --> pdb=" O GLN x 31 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N GLN x 42 " --> pdb=" O GLU x 38 " (cutoff:3.500A) Processing helix chain 'x' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASN x 117 " --> pdb=" O THR x 113 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ARG x 119 " --> pdb=" O SER x 115 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG x 120 " --> pdb=" O GLU x 116 " (cutoff:3.500A) Processing helix chain 'x' and resid 163 through 190 Processing helix chain 'x' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLN x 196 " --> pdb=" O GLY x 192 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHE x 197 " --> pdb=" O ILE x 193 " (cutoff:3.500A) Processing helix chain 'AD' and resid 2 through 23 Processing helix chain 'AD' and resid 24 through 82 removed outlier: 4.005A pdb=" N GLUAD 30 " --> pdb=" O GLUAD 26 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASPAD 35 " --> pdb=" O GLNAD 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLNAD 42 " --> pdb=" O GLUAD 38 " (cutoff:3.500A) Processing helix chain 'AD' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASNAD 117 " --> pdb=" O THRAD 113 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ARGAD 119 " --> pdb=" O SERAD 115 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ARGAD 120 " --> pdb=" O GLUAD 116 " (cutoff:3.500A) Processing helix chain 'AD' and resid 163 through 190 Processing helix chain 'AD' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLNAD 196 " --> pdb=" O GLYAD 192 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHEAD 197 " --> pdb=" O ILEAD 193 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 2 through 23 Processing helix chain 'AJ' and resid 24 through 82 removed outlier: 4.005A pdb=" N GLUAJ 30 " --> pdb=" O GLUAJ 26 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASPAJ 35 " --> pdb=" O GLNAJ 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLNAJ 42 " --> pdb=" O GLUAJ 38 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 83 through 155 removed outlier: 4.224A pdb=" N ASNAJ 117 " --> pdb=" O THRAJ 113 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ARGAJ 119 " --> pdb=" O SERAJ 115 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ARGAJ 120 " --> pdb=" O GLUAJ 116 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 163 through 190 Processing helix chain 'AJ' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLNAJ 196 " --> pdb=" O GLYAJ 192 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHEAJ 197 " --> pdb=" O ILEAJ 193 " (cutoff:3.500A) Processing helix chain 'AP' and resid 2 through 23 Processing helix chain 'AP' and resid 24 through 82 removed outlier: 4.004A pdb=" N GLUAP 30 " --> pdb=" O GLUAP 26 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ASPAP 35 " --> pdb=" O GLNAP 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLNAP 42 " --> pdb=" O GLUAP 38 " (cutoff:3.500A) Processing helix chain 'AP' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASNAP 117 " --> pdb=" O THRAP 113 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ARGAP 119 " --> pdb=" O SERAP 115 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ARGAP 120 " --> pdb=" O GLUAP 116 " (cutoff:3.500A) Processing helix chain 'AP' and resid 163 through 190 Processing helix chain 'AP' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLNAP 196 " --> pdb=" O GLYAP 192 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N PHEAP 197 " --> pdb=" O ILEAP 193 " (cutoff:3.500A) Processing helix chain 'AV' and resid 2 through 23 Processing helix chain 'AV' and resid 24 through 82 removed outlier: 4.005A pdb=" N GLUAV 30 " --> pdb=" O GLUAV 26 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ASPAV 35 " --> pdb=" O GLNAV 31 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLNAV 42 " --> pdb=" O GLUAV 38 " (cutoff:3.500A) Processing helix chain 'AV' and resid 83 through 155 removed outlier: 4.225A pdb=" N ASNAV 117 " --> pdb=" O THRAV 113 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ARGAV 119 " --> pdb=" O SERAV 115 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARGAV 120 " --> pdb=" O GLUAV 116 " (cutoff:3.500A) Processing helix chain 'AV' and resid 163 through 190 Processing helix chain 'AV' and resid 192 through 215 removed outlier: 5.250A pdb=" N GLNAV 196 " --> pdb=" O GLYAV 192 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N PHEAV 197 " --> pdb=" O ILEAV 193 " (cutoff:3.500A) 13974 hydrogen bonds defined for protein. 41922 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: 61.83 Time building geometry restraints manager: 45.08 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: 32736 1.34 - 1.46: 40176 1.46 - 1.58: 65212 1.58 - 1.71: 42 1.71 - 1.83: 840 Bond restraints: 139006 Sorted by residual: bond pdb=" CA MET e 36 " pdb=" C MET e 36 " ideal model delta sigma weight residual 1.523 1.471 0.052 1.30e-02 5.92e+03 1.62e+01 bond pdb=" CA METAU 36 " pdb=" C METAU 36 " ideal model delta sigma weight residual 1.523 1.471 0.052 1.30e-02 5.92e+03 1.62e+01 bond pdb=" CA METAO 36 " pdb=" C METAO 36 " ideal model delta sigma weight residual 1.523 1.471 0.052 1.30e-02 5.92e+03 1.61e+01 bond pdb=" CA MET 8 36 " pdb=" C MET 8 36 " ideal model delta sigma weight residual 1.523 1.471 0.052 1.30e-02 5.92e+03 1.61e+01 bond pdb=" N PRO I 25 " pdb=" CD PRO I 25 " ideal model delta sigma weight residual 1.473 1.529 -0.056 1.40e-02 5.10e+03 1.59e+01 ... (remaining 139001 not shown) Histogram of bond angle deviations from ideal: 95.17 - 103.50: 630 103.50 - 111.82: 51072 111.82 - 120.14: 77218 120.14 - 128.46: 57434 128.46 - 136.78: 252 Bond angle restraints: 186606 Sorted by residual: angle pdb=" N ARG W 88 " pdb=" CA ARG W 88 " pdb=" C ARG W 88 " ideal model delta sigma weight residual 113.88 104.78 9.10 1.23e+00 6.61e-01 5.47e+01 angle pdb=" N ARGAC 88 " pdb=" CA ARGAC 88 " pdb=" C ARGAC 88 " ideal model delta sigma weight residual 113.88 104.78 9.10 1.23e+00 6.61e-01 5.47e+01 angle pdb=" N ARG e 88 " pdb=" CA ARG e 88 " pdb=" C ARG e 88 " ideal model delta sigma weight residual 113.88 104.78 9.10 1.23e+00 6.61e-01 5.47e+01 angle pdb=" N ARGAU 88 " pdb=" CA ARGAU 88 " pdb=" C ARGAU 88 " ideal model delta sigma weight residual 113.88 104.78 9.10 1.23e+00 6.61e-01 5.47e+01 angle pdb=" N ARG w 88 " pdb=" CA ARG w 88 " pdb=" C ARG w 88 " ideal model delta sigma weight residual 113.88 104.79 9.09 1.23e+00 6.61e-01 5.46e+01 ... (remaining 186601 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 33.23: 84798 33.23 - 66.45: 2632 66.45 - 99.68: 882 99.68 - 132.90: 28 132.90 - 166.13: 14 Dihedral angle restraints: 88354 sinusoidal: 35938 harmonic: 52416 Sorted by residual: dihedral pdb=" C2' ADP 2 301 " pdb=" C1' ADP 2 301 " pdb=" N9 ADP 2 301 " pdb=" C4 ADP 2 301 " ideal model delta sinusoidal sigma weight residual 91.55 -102.33 -166.13 1 2.00e+01 2.50e-03 4.73e+01 dihedral pdb=" C2' ADPAI 301 " pdb=" C1' ADPAI 301 " pdb=" N9 ADPAI 301 " pdb=" C4 ADPAI 301 " ideal model delta sinusoidal sigma weight residual 91.55 -102.33 -166.13 1 2.00e+01 2.50e-03 4.73e+01 dihedral pdb=" C2' ADP A 301 " pdb=" C1' ADP A 301 " pdb=" N9 ADP A 301 " pdb=" C4 ADP A 301 " ideal model delta sinusoidal sigma weight residual 91.55 -102.36 -166.09 1 2.00e+01 2.50e-03 4.73e+01 ... (remaining 88351 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.082: 13968 0.082 - 0.163: 5048 0.163 - 0.245: 1824 0.245 - 0.326: 594 0.326 - 0.408: 210 Chirality restraints: 21644 Sorted by residual: chirality pdb=" CA THR m 57 " pdb=" N THR m 57 " pdb=" C THR m 57 " pdb=" CB THR m 57 " both_signs ideal model delta sigma weight residual False 2.53 2.12 0.41 2.00e-01 2.50e+01 4.16e+00 chirality pdb=" CA THR G 57 " pdb=" N THR G 57 " pdb=" C THR G 57 " pdb=" CB THR G 57 " both_signs ideal model delta sigma weight residual False 2.53 2.12 0.41 2.00e-01 2.50e+01 4.16e+00 chirality pdb=" CA THR s 57 " pdb=" N THR s 57 " pdb=" C THR s 57 " pdb=" CB THR s 57 " both_signs ideal model delta sigma weight residual False 2.53 2.12 0.41 2.00e-01 2.50e+01 4.16e+00 ... (remaining 21641 not shown) Planarity restraints: 24962 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CD ARG R 44 " 0.368 9.50e-02 1.11e+02 1.65e-01 1.94e+01 pdb=" NE ARG R 44 " -0.030 2.00e-02 2.50e+03 pdb=" CZ ARG R 44 " 0.026 2.00e-02 2.50e+03 pdb=" NH1 ARG R 44 " -0.014 2.00e-02 2.50e+03 pdb=" NH2 ARG R 44 " 0.002 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CD ARG x 44 " 0.368 9.50e-02 1.11e+02 1.65e-01 1.94e+01 pdb=" NE ARG x 44 " -0.030 2.00e-02 2.50e+03 pdb=" CZ ARG x 44 " 0.026 2.00e-02 2.50e+03 pdb=" NH1 ARG x 44 " -0.014 2.00e-02 2.50e+03 pdb=" NH2 ARG x 44 " 0.002 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CD ARGAJ 44 " 0.367 9.50e-02 1.11e+02 1.65e-01 1.94e+01 pdb=" NE ARGAJ 44 " -0.030 2.00e-02 2.50e+03 pdb=" CZ ARGAJ 44 " 0.026 2.00e-02 2.50e+03 pdb=" NH1 ARGAJ 44 " -0.014 2.00e-02 2.50e+03 pdb=" NH2 ARGAJ 44 " 0.002 2.00e-02 2.50e+03 ... (remaining 24959 not shown) Histogram of nonbonded interaction distances: 0.36 - 1.27: 112 1.27 - 2.18: 896 2.18 - 3.08: 90742 3.08 - 3.99: 387922 3.99 - 4.90: 648638 Warning: very small nonbonded interaction distances. Nonbonded interactions: 1128310 Sorted by model distance: nonbonded pdb=" CG GLU W 23 " pdb=" CB THR 2 161 " model vdw 0.360 3.870 nonbonded pdb=" CG GLUAC 23 " pdb=" CB THRAI 161 " model vdw 0.360 3.870 nonbonded pdb=" CG GLU w 23 " pdb=" CB THRAC 161 " model vdw 0.360 3.870 nonbonded pdb=" CG GLU Q 23 " pdb=" CB THR W 161 " model vdw 0.360 3.870 nonbonded pdb=" CG GLU A 23 " pdb=" CB THR K 161 " model vdw 0.360 3.870 ... (remaining 1128305 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' and resid 2 through 215) selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = (chain '8' and resid 2 through 215) selection = chain '9' selection = (chain 'A' and resid 2 through 215) selection = chain 'AA' selection = chain 'AB' selection = (chain 'AC' and resid 2 through 215) selection = chain 'AD' selection = chain 'AE' selection = chain 'AF' selection = chain 'AG' selection = chain 'AH' selection = (chain 'AI' and resid 2 through 215) selection = chain 'AJ' selection = chain 'AK' selection = chain 'AL' selection = chain 'AM' selection = chain 'AN' selection = (chain 'AO' and resid 2 through 215) selection = chain 'AP' selection = chain 'AQ' selection = chain 'AR' selection = chain 'AS' selection = chain 'AT' selection = (chain 'AU' and resid 2 through 215) selection = chain 'AV' 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' and resid 2 through 215) selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = (chain 'Q' and resid 2 through 215) selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = (chain 'W' and resid 2 through 215) selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = (chain 'e' and resid 2 through 215) selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = (chain 'k' and resid 2 through 215) selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = (chain 'q' and resid 2 through 215) selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = (chain 'w' and resid 2 through 215) selection = chain 'x' selection = chain 'y' selection = chain 'z' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.010 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.220 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.130 Extract box with map and model: 14.850 Check model and map are aligned: 1.480 Set scattering table: 0.930 Process input model: 299.060 Find NCS groups from input model: 8.240 Set up NCS constraints: 2.330 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.750 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 332.020 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5684 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 : 0.017 0.062 139006 Z= 1.070 Angle : 1.835 11.779 186606 Z= 1.287 Chirality : 0.105 0.408 21644 Planarity : 0.010 0.165 24962 Dihedral : 18.079 166.128 53914 Min Nonbonded Distance : 0.360 Molprobity Statistics. All-atom Clashscore : 24.19 Ramachandran Plot: Outliers : 0.16 % Allowed : 3.46 % Favored : 96.38 % Rotamer: Outliers : 0.30 % Allowed : 5.19 % Favored : 94.51 % 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: 1.74 (0.06), residues: 17808 helix: 1.52 (0.04), residues: 16646 sheet: None (None), residues: 0 loop : -4.08 (0.12), residues: 1162 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.027 0.008 TRPAG 71 PHE 0.030 0.005 PHE J 191 TYR 0.057 0.014 TYR z 104 ARG 0.030 0.001 ARG L 44 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 8012 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 42 poor density : 7970 time to evaluate : 11.493 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: 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symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 4 PHE cc_start: 0.6763 (t80) cc_final: 0.6399 (t80) REVERT: D 34 ILE cc_start: 0.9267 (mt) cc_final: 0.8709 (mt) REVERT: D 40 LEU cc_start: 0.8338 (tp) cc_final: 0.7956 (tt) REVERT: D 43 LEU cc_start: 0.8617 (tp) cc_final: 0.8364 (tp) REVERT: D 97 LEU cc_start: 0.9056 (mt) cc_final: 0.8823 (mt) REVERT: D 114 MET cc_start: 0.6890 (tpt) cc_final: 0.6577 (tpp) REVERT: D 115 SER cc_start: 0.8777 (m) cc_final: 0.7036 (p) REVERT: D 117 ASN cc_start: 0.6418 (t0) cc_final: 0.5924 (t0) REVERT: D 121 ASN cc_start: 0.7202 (m-40) cc_final: 0.6775 (m-40) REVERT: D 122 LEU cc_start: 0.8223 (tp) cc_final: 0.7651 (tp) REVERT: D 129 ILE cc_start: 0.9022 (mt) cc_final: 0.6722 (mt) REVERT: D 138 MET cc_start: 0.6242 (ptp) cc_final: 0.5592 (mtm) REVERT: D 139 LEU cc_start: 0.8208 (tp) cc_final: 0.6835 (tp) REVERT: D 152 LEU cc_start: 0.8695 (mt) cc_final: 0.7604 (mt) REVERT: D 156 LEU cc_start: 0.8599 (mt) cc_final: 0.8360 (pp) REVERT: D 176 LEU cc_start: 0.8745 (mt) cc_final: 0.8463 (mt) REVERT: C 97 LEU cc_start: 0.8927 (mt) cc_final: 0.8316 (mt) REVERT: C 100 THR cc_start: 0.8595 (m) cc_final: 0.8388 (m) REVERT: C 115 SER cc_start: 0.9191 (m) cc_final: 0.8033 (p) REVERT: C 129 ILE cc_start: 0.9383 (mt) cc_final: 0.7937 (mt) REVERT: C 135 LYS cc_start: 0.8503 (tppp) cc_final: 0.8067 (tppp) REVERT: C 139 LEU cc_start: 0.8550 (mt) cc_final: 0.7594 (mt) REVERT: C 176 LEU cc_start: 0.8486 (mt) cc_final: 0.7680 (mm) REVERT: E 56 ARG cc_start: 0.7140 (mmm160) cc_final: 0.6755 (mmm-85) REVERT: E 115 SER cc_start: 0.8445 (m) cc_final: 0.7889 (p) REVERT: E 117 ASN cc_start: 0.7080 (t0) cc_final: 0.5821 (m-40) REVERT: F 51 ILE cc_start: 0.8421 (mt) cc_final: 0.7972 (tp) REVERT: F 53 GLU cc_start: 0.6211 (mm-30) cc_final: 0.4841 (mm-30) REVERT: F 71 TRP cc_start: 0.5179 (m100) cc_final: 0.4793 (m100) REVERT: F 172 GLU cc_start: 0.5522 (mt-10) cc_final: 0.5189 (tp30) REVERT: A 41 VAL cc_start: 0.9148 (t) cc_final: 0.8789 (t) REVERT: A 104 TYR cc_start: 0.6678 (m-80) cc_final: 0.6385 (m-10) REVERT: A 171 MET cc_start: 0.5771 (tmm) cc_final: 0.4966 (tmm) REVERT: B 11 VAL cc_start: 0.8216 (t) cc_final: 0.7645 (p) REVERT: B 16 ASN cc_start: 0.8448 (m110) cc_final: 0.8058 (m-40) REVERT: B 34 ILE cc_start: 0.7603 (OUTLIER) cc_final: 0.7194 (pt) REVERT: B 136 LYS cc_start: 0.7903 (tmmt) cc_final: 0.7371 (ttpp) REVERT: B 171 MET cc_start: 0.7757 (mpm) cc_final: 0.7043 (mmp) REVERT: G 4 PHE cc_start: 0.6114 (t80) cc_final: 0.5784 (t80) REVERT: G 34 ILE cc_start: 0.9298 (mt) cc_final: 0.8800 (mt) REVERT: G 40 LEU cc_start: 0.8459 (tp) cc_final: 0.7916 (tt) REVERT: G 45 GLN cc_start: 0.7319 (tp40) cc_final: 0.6900 (tp40) REVERT: G 117 ASN cc_start: 0.6634 (t0) cc_final: 0.6008 (t0) REVERT: G 121 ASN cc_start: 0.7420 (m-40) cc_final: 0.6925 (m-40) REVERT: G 122 LEU cc_start: 0.8330 (tp) cc_final: 0.7954 (tp) REVERT: G 125 LEU cc_start: 0.8429 (tp) cc_final: 0.7987 (tp) REVERT: G 129 ILE cc_start: 0.9035 (mt) cc_final: 0.7027 (mt) REVERT: G 139 LEU cc_start: 0.8069 (tp) cc_final: 0.6996 (tp) REVERT: G 152 LEU cc_start: 0.8585 (mt) cc_final: 0.7693 (mt) REVERT: G 155 THR cc_start: 0.7518 (p) cc_final: 0.7193 (p) REVERT: G 176 LEU cc_start: 0.8572 (mt) cc_final: 0.8266 (mt) REVERT: H 96 SER cc_start: 0.8307 (m) cc_final: 0.8050 (p) REVERT: H 97 LEU cc_start: 0.8812 (mt) cc_final: 0.7994 (mp) REVERT: H 100 THR cc_start: 0.8649 (m) cc_final: 0.8368 (m) REVERT: H 108 LEU cc_start: 0.8842 (tp) cc_final: 0.6874 (tt) REVERT: H 115 SER cc_start: 0.9192 (m) cc_final: 0.8003 (p) REVERT: H 129 ILE cc_start: 0.9362 (mt) cc_final: 0.7951 (mt) REVERT: H 135 LYS cc_start: 0.8594 (tppp) cc_final: 0.7842 (tppp) REVERT: H 139 LEU cc_start: 0.8156 (mt) cc_final: 0.7023 (mt) REVERT: H 165 THR cc_start: 0.7651 (p) cc_final: 0.7318 (p) REVERT: H 176 LEU cc_start: 0.8333 (mt) cc_final: 0.7146 (mm) REVERT: I 19 VAL cc_start: 0.8650 (t) cc_final: 0.6800 (t) REVERT: I 35 ASP cc_start: 0.7519 (m-30) cc_final: 0.6573 (m-30) REVERT: I 115 SER cc_start: 0.8556 (m) cc_final: 0.7969 (p) REVERT: I 117 ASN cc_start: 0.7100 (t0) cc_final: 0.5544 (m-40) REVERT: J 51 ILE cc_start: 0.8712 (mt) cc_final: 0.8131 (tp) REVERT: J 53 GLU cc_start: 0.6415 (mm-30) cc_final: 0.5250 (mm-30) REVERT: J 172 GLU cc_start: 0.6128 (mt-10) cc_final: 0.5486 (tp30) REVERT: K 40 LEU cc_start: 0.7731 (tp) cc_final: 0.7213 (tp) REVERT: K 41 VAL cc_start: 0.8990 (t) cc_final: 0.7225 (t) REVERT: K 122 LEU cc_start: 0.7871 (tp) cc_final: 0.7669 (tp) REVERT: L 11 VAL cc_start: 0.8558 (t) cc_final: 0.8059 (p) REVERT: L 16 ASN cc_start: 0.8113 (m110) cc_final: 0.7842 (m110) REVERT: L 136 LYS cc_start: 0.7605 (tmmt) cc_final: 0.7313 (ttpp) REVERT: L 171 MET cc_start: 0.7716 (mpm) cc_final: 0.7339 (mmm) REVERT: M 4 PHE cc_start: 0.6539 (t80) cc_final: 0.6338 (t80) REVERT: M 40 LEU cc_start: 0.8385 (tp) cc_final: 0.8118 (tt) REVERT: M 43 LEU cc_start: 0.8614 (tp) cc_final: 0.8394 (tp) REVERT: M 117 ASN cc_start: 0.7280 (t0) cc_final: 0.6809 (t0) REVERT: M 121 ASN cc_start: 0.7185 (m-40) cc_final: 0.6691 (m-40) REVERT: M 122 LEU cc_start: 0.8361 (tp) cc_final: 0.7934 (tp) REVERT: M 125 LEU cc_start: 0.8513 (tp) cc_final: 0.8279 (tp) REVERT: M 129 ILE cc_start: 0.8970 (mt) cc_final: 0.7059 (mt) REVERT: M 138 MET cc_start: 0.6312 (ptp) cc_final: 0.5497 (mtt) REVERT: M 139 LEU cc_start: 0.8091 (tp) cc_final: 0.6935 (tp) REVERT: M 152 LEU cc_start: 0.8595 (mt) cc_final: 0.7359 (mt) REVERT: M 156 LEU cc_start: 0.8569 (mt) cc_final: 0.8284 (pp) REVERT: M 176 LEU cc_start: 0.8492 (mt) cc_final: 0.8196 (mt) REVERT: N 56 ARG cc_start: 0.7309 (mmm-85) cc_final: 0.7097 (tpp80) REVERT: N 97 LEU cc_start: 0.8622 (mt) cc_final: 0.8110 (mp) REVERT: N 100 THR cc_start: 0.8537 (m) cc_final: 0.8226 (m) REVERT: N 115 SER cc_start: 0.9068 (m) cc_final: 0.8399 (p) REVERT: N 129 ILE cc_start: 0.9404 (mt) cc_final: 0.8563 (mt) REVERT: N 135 LYS cc_start: 0.8143 (tppp) cc_final: 0.7664 (tppp) REVERT: N 139 LEU cc_start: 0.8355 (mt) cc_final: 0.7381 (mt) REVERT: N 166 SER cc_start: 0.8179 (m) cc_final: 0.7964 (p) REVERT: N 176 LEU cc_start: 0.8709 (mt) cc_final: 0.7548 (mm) REVERT: O 19 VAL cc_start: 0.8656 (t) cc_final: 0.8099 (p) REVERT: O 56 ARG cc_start: 0.7123 (mmm160) cc_final: 0.6905 (mmm-85) REVERT: O 115 SER cc_start: 0.8582 (m) cc_final: 0.7117 (p) REVERT: O 117 ASN cc_start: 0.7550 (t0) cc_final: 0.6600 (m110) REVERT: O 118 LEU cc_start: 0.8017 (mt) cc_final: 0.6695 (mt) REVERT: P 51 ILE cc_start: 0.8717 (mt) cc_final: 0.8173 (tp) REVERT: P 60 ARG cc_start: 0.6786 (mtm180) cc_final: 0.5818 (ptp-170) REVERT: P 104 TYR cc_start: 0.7944 (m-80) cc_final: 0.7642 (m-10) REVERT: P 172 GLU cc_start: 0.6306 (mt-10) cc_final: 0.5106 (tp30) REVERT: Q 40 LEU cc_start: 0.7783 (tp) cc_final: 0.7442 (tp) REVERT: Q 41 VAL cc_start: 0.8923 (t) cc_final: 0.8567 (t) REVERT: Q 171 MET cc_start: 0.5906 (tmm) cc_final: 0.5361 (tmm) REVERT: R 11 VAL cc_start: 0.8210 (t) cc_final: 0.7690 (p) REVERT: R 16 ASN cc_start: 0.8206 (m110) cc_final: 0.7767 (m110) REVERT: R 35 ASP cc_start: 0.5803 (t0) cc_final: 0.5108 (t0) REVERT: R 136 LYS cc_start: 0.7950 (tmmt) cc_final: 0.7143 (ttpp) REVERT: R 171 MET cc_start: 0.7620 (mpm) cc_final: 0.5612 (mmm) REVERT: S 34 ILE cc_start: 0.9239 (mt) cc_final: 0.8703 (mt) REVERT: S 40 LEU cc_start: 0.8606 (tp) cc_final: 0.8384 (tp) REVERT: S 115 SER cc_start: 0.8770 (m) cc_final: 0.7223 (p) REVERT: S 117 ASN cc_start: 0.6816 (t0) cc_final: 0.6295 (t0) REVERT: S 121 ASN cc_start: 0.7511 (m-40) cc_final: 0.6810 (m-40) REVERT: S 122 LEU cc_start: 0.8289 (tp) cc_final: 0.7926 (tp) REVERT: S 129 ILE cc_start: 0.9002 (mt) cc_final: 0.7134 (mt) REVERT: S 138 MET cc_start: 0.6292 (ptp) cc_final: 0.5849 (mtm) REVERT: S 139 LEU cc_start: 0.8060 (tp) cc_final: 0.7230 (tp) REVERT: S 152 LEU cc_start: 0.8621 (mt) cc_final: 0.8006 (mt) REVERT: S 156 LEU cc_start: 0.8543 (mt) cc_final: 0.8301 (pp) REVERT: S 176 LEU cc_start: 0.8458 (mt) cc_final: 0.7945 (mt) REVERT: T 97 LEU cc_start: 0.8552 (mt) cc_final: 0.8294 (mt) REVERT: T 108 LEU cc_start: 0.9055 (tp) cc_final: 0.8497 (tt) REVERT: T 115 SER cc_start: 0.9222 (m) cc_final: 0.8218 (p) REVERT: T 129 ILE cc_start: 0.9286 (mt) cc_final: 0.7738 (mt) REVERT: T 135 LYS cc_start: 0.8643 (tppp) cc_final: 0.8035 (tppp) REVERT: T 139 LEU cc_start: 0.8255 (mt) cc_final: 0.7423 (mt) REVERT: T 176 LEU cc_start: 0.8486 (mt) cc_final: 0.7354 (mm) REVERT: U 19 VAL cc_start: 0.8524 (t) cc_final: 0.7454 (t) REVERT: U 56 ARG cc_start: 0.7437 (mmm160) cc_final: 0.7185 (mmm-85) REVERT: U 115 SER cc_start: 0.8471 (m) cc_final: 0.7073 (p) REVERT: U 117 ASN cc_start: 0.6793 (t0) cc_final: 0.5873 (m110) REVERT: U 118 LEU cc_start: 0.7796 (mt) cc_final: 0.6825 (mt) REVERT: V 60 ARG cc_start: 0.7270 (mtm180) cc_final: 0.6903 (ptp-170) REVERT: W 171 MET cc_start: 0.5908 (tmm) cc_final: 0.5382 (tmm) REVERT: X 11 VAL cc_start: 0.7797 (t) cc_final: 0.7481 (p) REVERT: X 16 ASN cc_start: 0.7862 (m110) cc_final: 0.7477 (m-40) REVERT: X 136 LYS cc_start: 0.7602 (tmmt) cc_final: 0.7288 (ttpp) REVERT: X 171 MET cc_start: 0.7785 (mpm) cc_final: 0.7537 (mmm) REVERT: Y 34 ILE cc_start: 0.9187 (mt) cc_final: 0.8875 (mt) REVERT: Y 40 LEU cc_start: 0.8373 (tp) cc_final: 0.8080 (tt) REVERT: Y 43 LEU cc_start: 0.8666 (tp) cc_final: 0.8441 (tp) REVERT: Y 71 TRP cc_start: 0.5717 (m100) cc_final: 0.5488 (m100) REVERT: Y 114 MET cc_start: 0.6485 (tpt) cc_final: 0.5936 (tpt) REVERT: Y 115 SER cc_start: 0.8645 (m) cc_final: 0.6668 (p) REVERT: Y 117 ASN cc_start: 0.6513 (t0) cc_final: 0.6206 (t0) REVERT: Y 121 ASN cc_start: 0.7220 (m-40) cc_final: 0.6932 (m-40) REVERT: Y 122 LEU cc_start: 0.8390 (tp) cc_final: 0.7875 (tp) REVERT: Y 125 LEU cc_start: 0.8219 (tp) cc_final: 0.7945 (tp) REVERT: Y 129 ILE cc_start: 0.9059 (mt) cc_final: 0.6949 (mt) REVERT: Y 138 MET cc_start: 0.6470 (ptp) cc_final: 0.6089 (mtm) REVERT: Y 139 LEU cc_start: 0.8305 (tp) cc_final: 0.7147 (tp) REVERT: Y 152 LEU cc_start: 0.8876 (mt) cc_final: 0.8175 (mt) REVERT: Y 155 THR cc_start: 0.7324 (p) cc_final: 0.7017 (p) REVERT: Y 176 LEU cc_start: 0.8670 (mt) cc_final: 0.8287 (mt) REVERT: Z 97 LEU cc_start: 0.8949 (mt) cc_final: 0.8510 (mt) REVERT: Z 100 THR cc_start: 0.8234 (m) cc_final: 0.8012 (m) REVERT: Z 115 SER cc_start: 0.9087 (m) cc_final: 0.8144 (p) REVERT: Z 129 ILE cc_start: 0.9349 (mt) cc_final: 0.8058 (mt) REVERT: Z 135 LYS cc_start: 0.8521 (tppp) cc_final: 0.7581 (tppp) REVERT: Z 139 LEU cc_start: 0.8312 (mt) cc_final: 0.7465 (mt) REVERT: Z 165 THR cc_start: 0.7698 (p) cc_final: 0.7494 (p) REVERT: Z 176 LEU cc_start: 0.8775 (mt) cc_final: 0.7661 (mm) REVERT: 0 19 VAL cc_start: 0.8644 (t) cc_final: 0.7777 (t) REVERT: 0 56 ARG cc_start: 0.7364 (mmm160) cc_final: 0.6813 (mmm-85) REVERT: 0 115 SER cc_start: 0.8642 (m) cc_final: 0.8306 (p) REVERT: 0 117 ASN cc_start: 0.7181 (t0) cc_final: 0.5642 (m-40) REVERT: 1 51 ILE cc_start: 0.8550 (mt) cc_final: 0.8145 (tp) REVERT: 1 53 GLU cc_start: 0.6214 (mm-30) cc_final: 0.5870 (mm-30) REVERT: 1 84 GLU cc_start: 0.5645 (mm-30) cc_final: 0.5384 (mm-30) REVERT: 2 41 VAL cc_start: 0.9157 (t) cc_final: 0.8887 (t) REVERT: 2 122 LEU cc_start: 0.7837 (tp) cc_final: 0.7601 (tp) REVERT: 2 171 MET cc_start: 0.6163 (tmm) cc_final: 0.5360 (tmm) REVERT: 3 11 VAL cc_start: 0.8635 (t) cc_final: 0.8268 (p) REVERT: 3 16 ASN cc_start: 0.8178 (m110) cc_final: 0.7402 (m-40) REVERT: 3 35 ASP cc_start: 0.6200 (t0) cc_final: 0.5937 (t0) REVERT: 3 136 LYS cc_start: 0.7938 (tmmt) cc_final: 0.7444 (ttpp) REVERT: 4 34 ILE cc_start: 0.9170 (mt) cc_final: 0.8794 (mt) REVERT: 4 40 LEU cc_start: 0.8291 (tp) cc_final: 0.7971 (tp) REVERT: 4 71 TRP cc_start: 0.5432 (m100) cc_final: 0.5040 (m100) REVERT: 4 115 SER cc_start: 0.8582 (m) cc_final: 0.7758 (p) REVERT: 4 117 ASN cc_start: 0.6810 (t0) cc_final: 0.6016 (t0) REVERT: 4 121 ASN cc_start: 0.6982 (m-40) cc_final: 0.6676 (m-40) REVERT: 4 122 LEU cc_start: 0.8320 (tp) cc_final: 0.7950 (tp) REVERT: 4 129 ILE cc_start: 0.9009 (mt) cc_final: 0.7591 (mt) REVERT: 4 136 LYS cc_start: 0.8615 (tmmt) cc_final: 0.8372 (tptt) REVERT: 4 138 MET cc_start: 0.6273 (ptp) cc_final: 0.5869 (mtt) REVERT: 4 139 LEU cc_start: 0.7937 (tp) cc_final: 0.6612 (tp) REVERT: 4 152 LEU cc_start: 0.8988 (mt) cc_final: 0.8099 (mt) REVERT: 4 156 LEU cc_start: 0.8730 (mt) cc_final: 0.8331 (pp) REVERT: 5 12 ARG cc_start: 0.7363 (mtm180) cc_final: 0.6905 (mtm-85) REVERT: 5 97 LEU cc_start: 0.8835 (mt) cc_final: 0.8221 (mt) REVERT: 5 115 SER cc_start: 0.9126 (m) cc_final: 0.8011 (p) REVERT: 5 129 ILE cc_start: 0.9347 (mt) cc_final: 0.8380 (mt) REVERT: 5 135 LYS cc_start: 0.8572 (tppp) cc_final: 0.7533 (tppp) REVERT: 5 139 LEU cc_start: 0.8698 (mt) cc_final: 0.7531 (mt) REVERT: 5 166 SER cc_start: 0.8234 (m) cc_final: 0.8024 (p) REVERT: 5 176 LEU cc_start: 0.8720 (mt) cc_final: 0.7533 (mm) REVERT: 6 19 VAL cc_start: 0.8574 (t) cc_final: 0.7698 (p) REVERT: 6 88 ARG cc_start: 0.7820 (mtm-85) cc_final: 0.7557 (mtt-85) REVERT: 6 115 SER cc_start: 0.8517 (m) cc_final: 0.7884 (p) REVERT: 6 117 ASN cc_start: 0.7054 (t0) cc_final: 0.6126 (m110) REVERT: 6 118 LEU cc_start: 0.7861 (mt) cc_final: 0.7288 (mt) REVERT: 7 51 ILE cc_start: 0.8657 (mt) cc_final: 0.8117 (tp) REVERT: 7 53 GLU cc_start: 0.6174 (mm-30) cc_final: 0.4725 (mm-30) REVERT: 7 172 GLU cc_start: 0.5858 (mt-10) cc_final: 0.5028 (tp30) REVERT: 8 41 VAL cc_start: 0.9158 (t) cc_final: 0.8892 (t) REVERT: 8 171 MET cc_start: 0.5946 (tmm) cc_final: 0.5431 (tmm) REVERT: 9 11 VAL cc_start: 0.8372 (t) cc_final: 0.8003 (p) REVERT: 9 16 ASN cc_start: 0.8240 (m110) cc_final: 0.7752 (m110) REVERT: 9 136 LYS cc_start: 0.7929 (tmmt) cc_final: 0.7579 (ttpp) REVERT: 9 171 MET cc_start: 0.7853 (mpm) cc_final: 0.7046 (mmm) REVERT: a 34 ILE cc_start: 0.9285 (mt) cc_final: 0.8916 (mt) REVERT: a 40 LEU cc_start: 0.8418 (tp) cc_final: 0.8188 (tp) REVERT: a 43 LEU cc_start: 0.8600 (tp) cc_final: 0.8291 (tp) REVERT: a 71 TRP cc_start: 0.6002 (m100) cc_final: 0.5676 (m100) REVERT: a 114 MET cc_start: 0.6633 (tpt) cc_final: 0.6250 (tpp) REVERT: a 115 SER cc_start: 0.8704 (m) cc_final: 0.7136 (p) REVERT: a 117 ASN cc_start: 0.6934 (t0) cc_final: 0.6159 (t0) REVERT: a 122 LEU cc_start: 0.8362 (tp) cc_final: 0.8106 (tp) REVERT: a 129 ILE cc_start: 0.9094 (mt) cc_final: 0.7015 (mt) REVERT: a 139 LEU cc_start: 0.8020 (tp) cc_final: 0.6554 (tp) REVERT: a 152 LEU cc_start: 0.8489 (mt) cc_final: 0.7873 (mt) REVERT: a 155 THR cc_start: 0.7660 (p) cc_final: 0.7414 (p) REVERT: b 97 LEU cc_start: 0.8632 (mt) cc_final: 0.7745 (mt) REVERT: b 100 THR cc_start: 0.8397 (m) cc_final: 0.8121 (m) REVERT: b 115 SER cc_start: 0.9065 (m) cc_final: 0.7976 (p) REVERT: b 129 ILE cc_start: 0.9440 (mt) cc_final: 0.8620 (mt) REVERT: b 135 LYS cc_start: 0.8539 (tppp) cc_final: 0.7710 (tppp) REVERT: b 139 LEU cc_start: 0.8070 (mt) cc_final: 0.7255 (mt) REVERT: b 166 SER cc_start: 0.7967 (m) cc_final: 0.7616 (p) REVERT: b 176 LEU cc_start: 0.8690 (mt) cc_final: 0.7512 (mm) REVERT: c 19 VAL cc_start: 0.8540 (t) cc_final: 0.7396 (t) REVERT: c 111 GLN cc_start: 0.7255 (mt0) cc_final: 0.6937 (mm-40) REVERT: c 115 SER cc_start: 0.8413 (m) cc_final: 0.6587 (p) REVERT: c 117 ASN cc_start: 0.7016 (t0) cc_final: 0.5623 (m110) REVERT: c 129 ILE cc_start: 0.9195 (mt) cc_final: 0.6963 (mt) REVERT: d 51 ILE cc_start: 0.8645 (mt) cc_final: 0.8172 (tp) REVERT: d 172 GLU cc_start: 0.6435 (mt-10) cc_final: 0.5160 (tp30) REVERT: e 41 VAL cc_start: 0.9077 (t) cc_final: 0.8767 (t) REVERT: e 171 MET cc_start: 0.5791 (tmm) cc_final: 0.5421 (tmm) REVERT: f 11 VAL cc_start: 0.8287 (t) cc_final: 0.7770 (p) REVERT: f 35 ASP cc_start: 0.5566 (t0) cc_final: 0.5223 (t0) REVERT: f 136 LYS cc_start: 0.7840 (tmmt) cc_final: 0.7440 (ttpp) REVERT: f 139 LEU cc_start: 0.8195 (mt) cc_final: 0.7911 (mt) REVERT: g 4 PHE cc_start: 0.6823 (t80) cc_final: 0.6443 (t80) REVERT: g 34 ILE cc_start: 0.9222 (mt) cc_final: 0.8652 (mt) REVERT: g 40 LEU cc_start: 0.8373 (tp) cc_final: 0.7952 (tt) REVERT: g 43 LEU cc_start: 0.8612 (tp) cc_final: 0.8357 (tp) REVERT: g 97 LEU cc_start: 0.9117 (mt) cc_final: 0.8822 (mt) REVERT: g 114 MET cc_start: 0.6917 (tpt) cc_final: 0.6537 (tpp) REVERT: g 115 SER cc_start: 0.8751 (m) cc_final: 0.7033 (p) REVERT: g 117 ASN cc_start: 0.6382 (t0) cc_final: 0.5812 (t0) REVERT: g 121 ASN cc_start: 0.7259 (m-40) cc_final: 0.6804 (m-40) REVERT: g 122 LEU cc_start: 0.8261 (tp) cc_final: 0.7707 (tp) REVERT: g 129 ILE cc_start: 0.9115 (mt) cc_final: 0.6872 (mt) REVERT: g 138 MET cc_start: 0.6125 (ptp) cc_final: 0.5625 (mtm) REVERT: g 139 LEU cc_start: 0.8152 (tp) cc_final: 0.6768 (tp) REVERT: g 152 LEU cc_start: 0.8679 (mt) cc_final: 0.7627 (mt) REVERT: g 156 LEU cc_start: 0.8619 (mt) cc_final: 0.8399 (pp) REVERT: g 176 LEU cc_start: 0.8731 (mt) cc_final: 0.8453 (mt) REVERT: h 97 LEU cc_start: 0.8983 (mt) cc_final: 0.8285 (mt) REVERT: h 100 THR cc_start: 0.8652 (m) cc_final: 0.8449 (m) REVERT: h 115 SER cc_start: 0.9243 (m) cc_final: 0.7999 (p) REVERT: h 129 ILE cc_start: 0.9378 (mt) cc_final: 0.8024 (mt) REVERT: h 135 LYS cc_start: 0.8528 (tppp) cc_final: 0.8053 (tppp) REVERT: h 139 LEU cc_start: 0.8523 (mt) cc_final: 0.7776 (mt) REVERT: h 176 LEU cc_start: 0.8511 (mt) cc_final: 0.7665 (mm) REVERT: i 56 ARG cc_start: 0.7169 (mmm160) cc_final: 0.6798 (mmm-85) REVERT: i 115 SER cc_start: 0.8461 (m) cc_final: 0.7965 (p) REVERT: i 117 ASN cc_start: 0.7063 (t0) cc_final: 0.5903 (m-40) REVERT: j 51 ILE cc_start: 0.8411 (mt) cc_final: 0.7986 (tp) REVERT: j 53 GLU cc_start: 0.6233 (mm-30) cc_final: 0.4875 (mm-30) REVERT: j 71 TRP cc_start: 0.5196 (m100) cc_final: 0.4795 (m100) REVERT: j 104 TYR cc_start: 0.7634 (m-80) cc_final: 0.7432 (m-10) REVERT: j 172 GLU cc_start: 0.5467 (mt-10) cc_final: 0.5144 (tp30) REVERT: k 41 VAL cc_start: 0.9123 (t) cc_final: 0.8817 (t) REVERT: k 104 TYR cc_start: 0.6667 (m-80) cc_final: 0.6402 (m-10) REVERT: k 171 MET cc_start: 0.5796 (tmm) cc_final: 0.5097 (tmm) REVERT: l 11 VAL cc_start: 0.8259 (t) cc_final: 0.7696 (p) REVERT: l 16 ASN cc_start: 0.8395 (m110) cc_final: 0.8014 (m-40) REVERT: l 34 ILE cc_start: 0.7629 (OUTLIER) cc_final: 0.7208 (pt) REVERT: l 136 LYS cc_start: 0.7937 (tmmt) cc_final: 0.7398 (ttpp) REVERT: m 4 PHE cc_start: 0.6123 (t80) cc_final: 0.5828 (t80) REVERT: m 34 ILE cc_start: 0.9281 (mt) cc_final: 0.8807 (mt) REVERT: m 40 LEU cc_start: 0.8433 (tp) cc_final: 0.7905 (tt) REVERT: m 45 GLN cc_start: 0.7240 (tp40) cc_final: 0.6853 (tp40) REVERT: m 117 ASN cc_start: 0.6644 (t0) cc_final: 0.6018 (t0) REVERT: m 121 ASN cc_start: 0.7424 (m-40) cc_final: 0.6913 (m-40) REVERT: m 122 LEU cc_start: 0.8337 (tp) cc_final: 0.7910 (tp) REVERT: m 125 LEU cc_start: 0.8406 (tp) cc_final: 0.7990 (tp) REVERT: m 129 ILE cc_start: 0.9015 (mt) cc_final: 0.7061 (mt) REVERT: m 139 LEU cc_start: 0.8194 (tp) cc_final: 0.7018 (tp) REVERT: m 152 LEU cc_start: 0.8610 (mt) cc_final: 0.7737 (mt) REVERT: m 155 THR cc_start: 0.7547 (p) cc_final: 0.7201 (p) REVERT: m 176 LEU cc_start: 0.8576 (mt) cc_final: 0.8262 (mt) REVERT: n 96 SER cc_start: 0.8379 (m) cc_final: 0.8122 (p) REVERT: n 97 LEU cc_start: 0.8812 (mt) cc_final: 0.8018 (mp) REVERT: n 100 THR cc_start: 0.8720 (m) cc_final: 0.8427 (m) REVERT: n 108 LEU cc_start: 0.8829 (tp) cc_final: 0.6865 (tt) REVERT: n 115 SER cc_start: 0.9188 (m) cc_final: 0.7969 (p) REVERT: n 129 ILE cc_start: 0.9358 (mt) cc_final: 0.7887 (mt) REVERT: n 135 LYS cc_start: 0.8559 (tppp) cc_final: 0.7826 (tppp) REVERT: n 139 LEU cc_start: 0.8172 (mt) cc_final: 0.7004 (mt) REVERT: n 165 THR cc_start: 0.7619 (p) cc_final: 0.7342 (p) REVERT: n 176 LEU cc_start: 0.8332 (mt) cc_final: 0.7398 (mm) REVERT: o 19 VAL cc_start: 0.8641 (t) cc_final: 0.6757 (t) REVERT: o 35 ASP cc_start: 0.7443 (m-30) cc_final: 0.6534 (m-30) REVERT: o 115 SER cc_start: 0.8555 (m) cc_final: 0.7977 (p) REVERT: o 117 ASN cc_start: 0.7038 (t0) cc_final: 0.5406 (m-40) REVERT: p 51 ILE cc_start: 0.8739 (mt) cc_final: 0.8131 (tp) REVERT: p 53 GLU cc_start: 0.6490 (mm-30) cc_final: 0.5368 (mm-30) REVERT: p 172 GLU cc_start: 0.6095 (mt-10) cc_final: 0.5372 (tp30) REVERT: q 40 LEU cc_start: 0.7722 (tp) cc_final: 0.7219 (tp) REVERT: q 41 VAL cc_start: 0.8936 (t) cc_final: 0.7167 (t) REVERT: q 171 MET cc_start: 0.6159 (tmm) cc_final: 0.5795 (tmm) REVERT: r 11 VAL cc_start: 0.8553 (t) cc_final: 0.8046 (p) REVERT: r 16 ASN cc_start: 0.8114 (m110) cc_final: 0.7840 (m110) REVERT: r 136 LYS cc_start: 0.7636 (tmmt) cc_final: 0.7390 (ttpp) REVERT: r 171 MET cc_start: 0.7695 (mpm) cc_final: 0.7313 (mmm) REVERT: s 4 PHE cc_start: 0.6506 (t80) cc_final: 0.6268 (t80) REVERT: s 40 LEU cc_start: 0.8403 (tp) cc_final: 0.8111 (tt) REVERT: s 43 LEU cc_start: 0.8624 (tp) cc_final: 0.8393 (tp) REVERT: s 117 ASN cc_start: 0.7297 (t0) cc_final: 0.6811 (t0) REVERT: s 121 ASN cc_start: 0.7223 (m-40) cc_final: 0.6718 (m-40) REVERT: s 122 LEU cc_start: 0.8342 (tp) cc_final: 0.7933 (tp) REVERT: s 125 LEU cc_start: 0.8507 (tp) cc_final: 0.8260 (tp) REVERT: s 129 ILE cc_start: 0.8949 (mt) cc_final: 0.6989 (mt) REVERT: s 138 MET cc_start: 0.6274 (ptp) cc_final: 0.5541 (mtt) REVERT: s 139 LEU cc_start: 0.8079 (tp) cc_final: 0.6961 (tp) REVERT: s 152 LEU cc_start: 0.8576 (mt) cc_final: 0.7346 (mt) REVERT: s 156 LEU cc_start: 0.8559 (mt) cc_final: 0.8283 (pp) REVERT: s 176 LEU cc_start: 0.8509 (mt) cc_final: 0.8261 (mt) REVERT: t 97 LEU cc_start: 0.8652 (mt) cc_final: 0.8073 (mp) REVERT: t 100 THR cc_start: 0.8517 (m) cc_final: 0.8222 (m) REVERT: t 115 SER cc_start: 0.9072 (m) cc_final: 0.8407 (p) REVERT: t 129 ILE cc_start: 0.9408 (mt) cc_final: 0.8579 (mt) REVERT: t 135 LYS cc_start: 0.8119 (tppp) cc_final: 0.7636 (tppp) REVERT: t 139 LEU cc_start: 0.8361 (mt) cc_final: 0.7303 (mt) REVERT: t 166 SER cc_start: 0.8205 (m) cc_final: 0.7997 (p) REVERT: t 176 LEU cc_start: 0.8746 (mt) cc_final: 0.7609 (mm) REVERT: u 19 VAL cc_start: 0.8666 (t) cc_final: 0.8117 (p) REVERT: u 56 ARG cc_start: 0.7136 (mmm160) cc_final: 0.6871 (mmm-85) REVERT: u 115 SER cc_start: 0.8575 (m) cc_final: 0.7120 (p) REVERT: u 117 ASN cc_start: 0.7567 (t0) cc_final: 0.6632 (m110) REVERT: u 118 LEU cc_start: 0.8044 (mt) cc_final: 0.6749 (mt) REVERT: v 51 ILE cc_start: 0.8676 (mt) cc_final: 0.8150 (tp) REVERT: v 60 ARG cc_start: 0.6787 (mtm180) cc_final: 0.5821 (ptp-170) REVERT: v 104 TYR cc_start: 0.7923 (m-80) cc_final: 0.7654 (m-10) REVERT: v 172 GLU cc_start: 0.6305 (mt-10) cc_final: 0.5134 (tp30) REVERT: w 40 LEU cc_start: 0.7775 (tp) cc_final: 0.7430 (tp) REVERT: w 41 VAL cc_start: 0.8927 (t) cc_final: 0.8596 (t) REVERT: w 171 MET cc_start: 0.5843 (tmm) cc_final: 0.5345 (tmm) REVERT: x 11 VAL cc_start: 0.8249 (t) cc_final: 0.7745 (p) REVERT: x 16 ASN cc_start: 0.8174 (m110) cc_final: 0.7802 (m110) REVERT: x 35 ASP cc_start: 0.5801 (t0) cc_final: 0.5113 (t0) REVERT: x 136 LYS cc_start: 0.7910 (tmmt) cc_final: 0.7199 (ttpp) REVERT: x 171 MET cc_start: 0.7623 (mpm) cc_final: 0.5621 (mmm) REVERT: y 34 ILE cc_start: 0.9242 (mt) cc_final: 0.8701 (mt) REVERT: y 40 LEU cc_start: 0.8593 (tp) cc_final: 0.8328 (tp) REVERT: y 115 SER cc_start: 0.8751 (m) cc_final: 0.7182 (p) REVERT: y 117 ASN cc_start: 0.6844 (t0) cc_final: 0.6293 (t0) REVERT: y 121 ASN cc_start: 0.7510 (m-40) cc_final: 0.6831 (m-40) REVERT: y 122 LEU cc_start: 0.8283 (tp) cc_final: 0.7975 (tp) REVERT: y 129 ILE cc_start: 0.8992 (mt) cc_final: 0.7138 (mt) REVERT: y 138 MET cc_start: 0.6317 (ptp) cc_final: 0.5868 (mtm) REVERT: y 139 LEU cc_start: 0.8068 (tp) cc_final: 0.7251 (tp) REVERT: y 152 LEU cc_start: 0.8631 (mt) cc_final: 0.8020 (mt) REVERT: y 156 LEU cc_start: 0.8567 (mt) cc_final: 0.8315 (pp) REVERT: y 176 LEU cc_start: 0.8471 (mt) cc_final: 0.7941 (mt) REVERT: z 97 LEU cc_start: 0.8501 (mt) cc_final: 0.8285 (mt) REVERT: z 108 LEU cc_start: 0.9069 (tp) cc_final: 0.8497 (tt) REVERT: z 115 SER cc_start: 0.9202 (m) cc_final: 0.8195 (p) REVERT: z 129 ILE cc_start: 0.9295 (mt) cc_final: 0.7813 (mt) REVERT: z 135 LYS cc_start: 0.8591 (tppp) cc_final: 0.8024 (tppp) REVERT: z 139 LEU cc_start: 0.8254 (mt) cc_final: 0.7473 (mt) REVERT: z 176 LEU cc_start: 0.8508 (mt) cc_final: 0.7383 (mm) REVERT: AA 19 VAL cc_start: 0.8600 (t) cc_final: 0.7544 (t) REVERT: AA 56 ARG cc_start: 0.7396 (mmm160) cc_final: 0.7157 (mmm-85) REVERT: AA 115 SER cc_start: 0.8470 (m) cc_final: 0.7098 (p) REVERT: AA 117 ASN cc_start: 0.6791 (t0) cc_final: 0.5868 (m110) REVERT: AA 118 LEU cc_start: 0.7776 (mt) cc_final: 0.6827 (mt) REVERT: AB 60 ARG cc_start: 0.7233 (mtm180) cc_final: 0.6902 (ptp-170) REVERT: AC 171 MET cc_start: 0.5975 (tmm) cc_final: 0.5415 (tmm) REVERT: AD 11 VAL cc_start: 0.7778 (t) cc_final: 0.7447 (p) REVERT: AD 16 ASN cc_start: 0.7950 (m110) cc_final: 0.7515 (m-40) REVERT: AD 136 LYS cc_start: 0.7625 (tmmt) cc_final: 0.7306 (ttpp) REVERT: AE 34 ILE cc_start: 0.9189 (mt) cc_final: 0.8883 (mt) REVERT: AE 40 LEU cc_start: 0.8360 (tp) cc_final: 0.8089 (tt) REVERT: AE 43 LEU cc_start: 0.8674 (tp) cc_final: 0.8432 (tp) REVERT: AE 71 TRP cc_start: 0.5817 (m100) cc_final: 0.5471 (m100) REVERT: AE 114 MET cc_start: 0.6446 (tpt) cc_final: 0.5896 (tpt) REVERT: AE 115 SER cc_start: 0.8655 (m) cc_final: 0.6653 (p) REVERT: AE 117 ASN cc_start: 0.6479 (t0) cc_final: 0.6173 (t0) REVERT: AE 121 ASN cc_start: 0.7341 (m-40) cc_final: 0.7028 (m-40) REVERT: AE 122 LEU cc_start: 0.8413 (tp) cc_final: 0.7928 (tp) REVERT: AE 125 LEU cc_start: 0.8196 (tp) cc_final: 0.7919 (tp) REVERT: AE 129 ILE cc_start: 0.9128 (mt) cc_final: 0.7058 (mt) REVERT: AE 138 MET cc_start: 0.6495 (ptp) cc_final: 0.6038 (mtm) REVERT: AE 139 LEU cc_start: 0.8249 (tp) cc_final: 0.7108 (tp) REVERT: AE 152 LEU cc_start: 0.8862 (mt) cc_final: 0.8178 (mt) REVERT: AE 155 THR cc_start: 0.7331 (p) cc_final: 0.7068 (p) REVERT: AE 176 LEU cc_start: 0.8671 (mt) cc_final: 0.8264 (mt) REVERT: AF 97 LEU cc_start: 0.8905 (mt) cc_final: 0.8510 (mt) REVERT: AF 115 SER cc_start: 0.9116 (m) cc_final: 0.8174 (p) REVERT: AF 129 ILE cc_start: 0.9346 (mt) cc_final: 0.8084 (mt) REVERT: AF 135 LYS cc_start: 0.8507 (tppp) cc_final: 0.7579 (tppp) REVERT: AF 139 LEU cc_start: 0.8315 (mt) cc_final: 0.7465 (mt) REVERT: AF 165 THR cc_start: 0.7712 (p) cc_final: 0.7503 (p) REVERT: AF 176 LEU cc_start: 0.8772 (mt) cc_final: 0.7657 (mm) REVERT: AG 19 VAL cc_start: 0.8644 (t) cc_final: 0.7769 (t) REVERT: AG 56 ARG cc_start: 0.7439 (mmm160) cc_final: 0.6843 (mmm-85) REVERT: AG 115 SER cc_start: 0.8633 (m) cc_final: 0.8345 (p) REVERT: AG 117 ASN cc_start: 0.7219 (t0) cc_final: 0.5690 (m-40) REVERT: AH 51 ILE cc_start: 0.8570 (mt) cc_final: 0.8172 (tp) REVERT: AH 53 GLU cc_start: 0.6159 (mm-30) cc_final: 0.5890 (mm-30) REVERT: AH 54 GLU cc_start: 0.7930 (mt-10) cc_final: 0.7720 (mp0) REVERT: AH 108 LEU cc_start: 0.8460 (tp) cc_final: 0.8249 (tt) REVERT: AI 41 VAL cc_start: 0.9180 (t) cc_final: 0.8929 (t) REVERT: AI 122 LEU cc_start: 0.7810 (tp) cc_final: 0.7578 (tp) REVERT: AI 171 MET cc_start: 0.6128 (tmm) cc_final: 0.5335 (tmm) REVERT: AJ 11 VAL cc_start: 0.8659 (t) cc_final: 0.8324 (p) REVERT: AJ 16 ASN cc_start: 0.8221 (m110) cc_final: 0.7394 (m-40) REVERT: AJ 35 ASP cc_start: 0.6174 (t0) cc_final: 0.5892 (t0) REVERT: AJ 136 LYS cc_start: 0.7896 (tmmt) cc_final: 0.7392 (ttpp) REVERT: AK 34 ILE cc_start: 0.9160 (mt) cc_final: 0.8804 (mt) REVERT: AK 40 LEU cc_start: 0.8295 (tp) cc_final: 0.7970 (tp) REVERT: AK 71 TRP cc_start: 0.5299 (m100) cc_final: 0.4979 (m100) REVERT: AK 115 SER cc_start: 0.8624 (m) cc_final: 0.7785 (p) REVERT: AK 117 ASN cc_start: 0.6813 (t0) cc_final: 0.6078 (t0) REVERT: AK 121 ASN cc_start: 0.6948 (m-40) cc_final: 0.6608 (m-40) REVERT: AK 122 LEU cc_start: 0.8320 (tp) cc_final: 0.7922 (tp) REVERT: AK 129 ILE cc_start: 0.8997 (mt) cc_final: 0.7634 (mt) REVERT: AK 136 LYS cc_start: 0.8669 (tmmt) cc_final: 0.8410 (tptt) REVERT: AK 138 MET cc_start: 0.6285 (ptp) cc_final: 0.5921 (mtt) REVERT: AK 139 LEU cc_start: 0.7932 (tp) cc_final: 0.6584 (tp) REVERT: AK 152 LEU cc_start: 0.8965 (mt) cc_final: 0.8037 (mt) REVERT: AK 156 LEU cc_start: 0.8705 (mt) cc_final: 0.8322 (pp) REVERT: AL 12 ARG cc_start: 0.7367 (mtm180) cc_final: 0.6921 (mtm-85) REVERT: AL 56 ARG cc_start: 0.7332 (mmm-85) cc_final: 0.7127 (mmm-85) REVERT: AL 59 GLN cc_start: 0.8026 (mt0) cc_final: 0.7774 (tm-30) REVERT: AL 97 LEU cc_start: 0.8814 (mt) cc_final: 0.8157 (mt) REVERT: AL 100 THR cc_start: 0.8705 (m) cc_final: 0.8480 (m) REVERT: AL 115 SER cc_start: 0.9124 (m) cc_final: 0.7989 (p) REVERT: AL 129 ILE cc_start: 0.9354 (mt) cc_final: 0.8317 (mt) REVERT: AL 135 LYS cc_start: 0.8523 (tppp) cc_final: 0.7509 (tppp) REVERT: AL 139 LEU cc_start: 0.8687 (mt) cc_final: 0.7500 (mt) REVERT: AL 166 SER cc_start: 0.8228 (m) cc_final: 0.7981 (p) REVERT: AL 176 LEU cc_start: 0.8772 (mt) cc_final: 0.7587 (mm) REVERT: AM 19 VAL cc_start: 0.8590 (t) cc_final: 0.7736 (p) REVERT: AM 88 ARG cc_start: 0.7794 (mtm-85) cc_final: 0.7501 (mtt-85) REVERT: AM 115 SER cc_start: 0.8540 (m) cc_final: 0.7874 (p) REVERT: AM 117 ASN cc_start: 0.6983 (t0) cc_final: 0.6003 (m110) REVERT: AM 118 LEU cc_start: 0.7814 (mt) cc_final: 0.7317 (mt) REVERT: AN 51 ILE cc_start: 0.8628 (mt) cc_final: 0.8083 (tp) REVERT: AN 53 GLU cc_start: 0.6160 (mm-30) cc_final: 0.4699 (mm-30) REVERT: AN 172 GLU cc_start: 0.5912 (mt-10) cc_final: 0.5071 (tp30) REVERT: AO 41 VAL cc_start: 0.9107 (t) cc_final: 0.8848 (t) REVERT: AO 171 MET cc_start: 0.5902 (tmm) cc_final: 0.5369 (tmm) REVERT: AP 11 VAL cc_start: 0.8430 (t) cc_final: 0.8057 (p) REVERT: AP 16 ASN cc_start: 0.8114 (m110) cc_final: 0.7655 (m110) REVERT: AP 136 LYS cc_start: 0.7973 (tmmt) cc_final: 0.7591 (ttpp) REVERT: AP 171 MET cc_start: 0.7869 (mpm) cc_final: 0.7097 (mmm) REVERT: AQ 4 PHE cc_start: 0.6279 (t80) cc_final: 0.5997 (t80) REVERT: AQ 34 ILE cc_start: 0.9276 (mt) cc_final: 0.8849 (mt) REVERT: AQ 40 LEU cc_start: 0.8405 (tp) cc_final: 0.8135 (tp) REVERT: AQ 43 LEU cc_start: 0.8574 (tp) cc_final: 0.8312 (tp) REVERT: AQ 71 TRP cc_start: 0.6040 (m100) cc_final: 0.5666 (m100) REVERT: AQ 115 SER cc_start: 0.8738 (m) cc_final: 0.7090 (p) REVERT: AQ 117 ASN cc_start: 0.6933 (t0) cc_final: 0.5724 (t0) REVERT: AQ 122 LEU cc_start: 0.8389 (tp) cc_final: 0.8049 (tp) REVERT: AQ 129 ILE cc_start: 0.9087 (mt) cc_final: 0.7001 (mt) REVERT: AQ 139 LEU cc_start: 0.8005 (tp) cc_final: 0.6589 (tp) REVERT: AQ 152 LEU cc_start: 0.8513 (mt) cc_final: 0.7852 (mt) REVERT: AQ 155 THR cc_start: 0.7651 (p) cc_final: 0.7450 (p) REVERT: AR 56 ARG cc_start: 0.7270 (mmm-85) cc_final: 0.6696 (mmm-85) REVERT: AR 59 GLN cc_start: 0.7896 (mt0) cc_final: 0.7198 (tm-30) REVERT: AR 97 LEU cc_start: 0.8623 (mt) cc_final: 0.7701 (mt) REVERT: AR 100 THR cc_start: 0.8394 (m) cc_final: 0.8123 (m) REVERT: AR 115 SER cc_start: 0.9051 (m) cc_final: 0.7996 (p) REVERT: AR 129 ILE cc_start: 0.9425 (mt) cc_final: 0.8578 (mt) REVERT: AR 135 LYS cc_start: 0.8553 (tppp) cc_final: 0.7769 (tppp) REVERT: AR 139 LEU cc_start: 0.8125 (mt) cc_final: 0.7341 (mt) REVERT: AR 166 SER cc_start: 0.7931 (m) cc_final: 0.7601 (p) REVERT: AR 176 LEU cc_start: 0.8688 (mt) cc_final: 0.7543 (mm) REVERT: AS 19 VAL cc_start: 0.8526 (t) cc_final: 0.7400 (t) REVERT: AS 56 ARG cc_start: 0.7255 (mmm160) cc_final: 0.6859 (mmm-85) REVERT: AS 115 SER cc_start: 0.8467 (m) cc_final: 0.6525 (p) REVERT: AS 117 ASN cc_start: 0.6990 (t0) cc_final: 0.5660 (m110) REVERT: AS 129 ILE cc_start: 0.9200 (mt) cc_final: 0.7044 (mt) REVERT: AT 51 ILE cc_start: 0.8563 (mt) cc_final: 0.8110 (tp) REVERT: AT 53 GLU cc_start: 0.5417 (mm-30) cc_final: 0.4725 (mm-30) REVERT: AT 60 ARG cc_start: 0.7286 (mtm180) cc_final: 0.7055 (ptp-170) REVERT: AT 172 GLU cc_start: 0.6491 (mt-10) cc_final: 0.5222 (tp30) REVERT: AU 41 VAL cc_start: 0.9083 (t) cc_final: 0.8720 (t) REVERT: AU 171 MET cc_start: 0.5880 (tmm) cc_final: 0.5463 (tmm) REVERT: AV 11 VAL cc_start: 0.8228 (t) cc_final: 0.7704 (p) REVERT: AV 35 ASP cc_start: 0.5592 (t0) cc_final: 0.5241 (t0) REVERT: AV 136 LYS cc_start: 0.7809 (tmmt) cc_final: 0.7294 (ttpp) REVERT: AV 139 LEU cc_start: 0.8197 (mt) cc_final: 0.7868 (mt) outliers start: 42 outliers final: 26 residues processed: 7970 average time/residue: 1.2884 time to fit residues: 17327.8557 Evaluate side-chains 4743 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 28 poor density : 4715 time to evaluate : 11.547 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1764 random chunks: chunk 1489 optimal weight: 1.9990 chunk 1337 optimal weight: 7.9990 chunk 741 optimal weight: 3.9990 chunk 456 optimal weight: 10.0000 chunk 901 optimal weight: 3.9990 chunk 714 optimal weight: 7.9990 chunk 1382 optimal weight: 3.9990 chunk 535 optimal weight: 5.9990 chunk 840 optimal weight: 0.8980 chunk 1029 optimal weight: 8.9990 chunk 1601 optimal weight: 7.9990 overall best weight: 2.9788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** D 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 59 GLN D 81 ASN ** D 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 173 ASN C 31 GLN ** C 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 153 GLN E 107 GLN E 153 GLN E 195 ASN ** F 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 195 ASN ** A 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 121 ASN A 154 GLN ** B 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 173 ASN ** G 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 59 GLN ** G 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 173 ASN G 195 ASN H 31 GLN ** H 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 137 ASN H 153 GLN I 31 GLN ** I 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 153 GLN I 195 ASN J 195 ASN K 16 ASN K 37 GLN ** K 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 121 ASN K 154 GLN ** L 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 121 ASN ** L 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 173 ASN ** M 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 59 GLN M 81 ASN ** M 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 173 ASN N 31 GLN ** N 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 137 ASN N 153 GLN O 107 GLN ** O 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 153 GLN O 195 ASN ** P 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 195 ASN Q 16 ASN ** Q 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 121 ASN Q 154 GLN ** R 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 173 ASN ** S 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 59 GLN S 81 ASN ** S 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 149 ASN S 173 ASN ** T 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 31 GLN ** T 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 153 GLN U 153 GLN U 195 ASN V 81 ASN ** V 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 195 ASN W 16 ASN ** W 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 121 ASN W 199 GLN ** X 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 121 ASN ** X 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 173 ASN ** Y 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 59 GLN Y 81 ASN Y 107 GLN Y 173 ASN Z 31 GLN ** Z 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 137 ASN Z 153 GLN ** 0 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 153 GLN 0 195 ASN 1 195 ASN 2 16 ASN ** 2 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 121 ASN 2 154 GLN 2 199 GLN ** 3 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 173 ASN ** 4 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 59 GLN 4 81 ASN 4 107 GLN 4 173 ASN 5 16 ASN 5 31 GLN ** 5 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 137 ASN 5 153 GLN ** 6 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 153 GLN 6 195 ASN ** 7 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 195 ASN 8 121 ASN 8 154 GLN 8 196 GLN ** 9 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 59 GLN ** a 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 81 ASN ** a 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 173 ASN b 31 GLN ** b 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 153 GLN ** c 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 153 GLN c 195 ASN ** d 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 195 ASN e 16 ASN ** e 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 121 ASN e 196 GLN ** f 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 173 ASN ** g 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 59 GLN g 81 ASN ** g 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 173 ASN h 31 GLN ** h 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 153 GLN i 107 GLN i 153 GLN i 195 ASN ** j 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 195 ASN ** k 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 121 ASN k 154 GLN k 199 GLN ** l 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 173 ASN ** m 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 59 GLN ** m 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 173 ASN m 195 ASN n 31 GLN ** n 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 137 ASN n 153 GLN o 31 GLN ** o 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 153 GLN o 195 ASN p 195 ASN q 16 ASN q 37 GLN ** q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 121 ASN q 154 GLN q 199 GLN ** r 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 121 ASN ** r 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 173 ASN ** s 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 59 GLN s 81 ASN ** s 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 173 ASN t 31 GLN ** t 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 137 ASN t 153 GLN u 107 GLN ** u 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 153 GLN u 195 ASN ** v 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 195 ASN w 16 ASN ** w 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 121 ASN w 154 GLN w 199 GLN ** x 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 173 ASN ** y 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 59 GLN y 81 ASN ** y 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 149 ASN y 173 ASN ** z 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 31 GLN ** z 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 153 GLN AA 107 GLN ** AA 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 153 GLN AA 195 ASN AB 81 ASN ** AB 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AB 121 ASN AB 195 ASN AC 16 ASN ** AC 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 121 ASN AC 199 GLN ** AD 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 121 ASN ** AD 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 173 ASN ** AE 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 59 GLN AE 81 ASN AE 107 GLN AE 173 ASN AF 31 GLN ** AF 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AF 137 ASN AF 153 GLN ** AG 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 153 GLN AG 195 ASN AH 81 ASN AH 195 ASN AI 16 ASN ** AI 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 121 ASN AI 154 GLN AI 199 GLN ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 173 ASN ** AK 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AK 59 GLN AK 81 ASN AK 107 GLN AK 173 ASN AL 16 ASN AL 31 GLN ** AL 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AL 137 ASN AL 153 GLN ** AM 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AM 153 GLN AM 195 ASN ** AN 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AN 195 ASN AO 37 GLN AO 121 ASN AO 154 GLN AO 196 GLN ** AP 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 59 GLN ** AQ 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 173 ASN AR 31 GLN ** AR 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 153 GLN AS 111 GLN ** AS 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 153 GLN AS 195 ASN ** AT 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AT 195 ASN AU 16 ASN ** AU 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AU 121 ASN AU 196 GLN ** AV 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 173 ASN Total number of N/Q/H flips: 203 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6268 moved from start: 0.6215 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.067 139006 Z= 0.272 Angle : 0.743 14.936 186606 Z= 0.402 Chirality : 0.037 0.199 21644 Planarity : 0.006 0.083 24962 Dihedral : 7.605 178.030 19390 Min Nonbonded Distance : 2.041 Molprobity Statistics. All-atom Clashscore : 20.36 Ramachandran Plot: Outliers : 0.08 % Allowed : 1.04 % Favored : 98.88 % Rotamer: Outliers : 0.33 % Allowed : 4.06 % Favored : 95.61 % 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: 3.15 (0.06), residues: 17808 helix: 2.39 (0.04), residues: 16702 sheet: None (None), residues: 0 loop : -3.14 (0.16), residues: 1106 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.032 0.003 TRP K 71 PHE 0.033 0.002 PHE d 197 TYR 0.023 0.002 TYR R 104 ARG 0.016 0.001 ARG d 56 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6081 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 46 poor density : 6035 time to evaluate : 13.388 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: 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symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry 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symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 34 ILE cc_start: 0.9292 (mt) cc_final: 0.9008 (mt) REVERT: D 64 ASP cc_start: 0.8346 (p0) cc_final: 0.7137 (p0) REVERT: D 108 LEU cc_start: 0.8505 (tp) cc_final: 0.8115 (tp) REVERT: D 117 ASN cc_start: 0.6722 (t0) cc_final: 0.6350 (t0) REVERT: D 122 LEU cc_start: 0.8692 (tp) cc_final: 0.8486 (tp) REVERT: D 134 THR cc_start: 0.8998 (m) cc_final: 0.8770 (p) REVERT: D 152 LEU cc_start: 0.8873 (mt) cc_final: 0.8377 (mt) REVERT: D 174 LYS cc_start: 0.8557 (ptpt) cc_final: 0.8078 (ptpt) REVERT: D 193 ILE cc_start: 0.7508 (mp) cc_final: 0.7269 (mp) REVERT: C 18 LEU cc_start: 0.8927 (mm) cc_final: 0.7772 (mm) REVERT: C 47 VAL cc_start: 0.9329 (t) cc_final: 0.8738 (t) REVERT: C 135 LYS cc_start: 0.8235 (tppp) cc_final: 0.7693 (tppp) REVERT: C 139 LEU cc_start: 0.8533 (mt) cc_final: 0.7673 (mt) REVERT: E 57 THR cc_start: 0.8987 (p) cc_final: 0.8518 (p) REVERT: E 110 GLN cc_start: 0.7876 (tm-30) cc_final: 0.7450 (tm-30) REVERT: E 125 LEU cc_start: 0.8994 (mp) cc_final: 0.8430 (mt) REVERT: E 138 MET cc_start: 0.5301 (mtm) cc_final: 0.5086 (mtp) REVERT: E 171 MET cc_start: 0.8298 (mmp) cc_final: 0.7999 (mmp) REVERT: E 176 LEU cc_start: 0.8612 (mt) cc_final: 0.8053 (mt) REVERT: E 208 ASP cc_start: 0.6966 (m-30) cc_final: 0.6739 (m-30) REVERT: F 27 LYS cc_start: 0.8038 (mtpt) cc_final: 0.7725 (mttm) REVERT: F 51 ILE cc_start: 0.9042 (mt) cc_final: 0.8604 (mm) REVERT: F 104 TYR cc_start: 0.6858 (m-10) cc_final: 0.6617 (m-10) REVERT: A 35 ASP cc_start: 0.8536 (m-30) cc_final: 0.8273 (m-30) REVERT: A 114 MET cc_start: 0.7155 (ttt) cc_final: 0.6417 (ttt) REVERT: A 128 LYS cc_start: 0.7843 (ptpt) cc_final: 0.7440 (ptpt) REVERT: A 169 GLU cc_start: 0.7309 (mm-30) cc_final: 0.6604 (mm-30) REVERT: A 171 MET cc_start: 0.5907 (tmm) cc_final: 0.5047 (tmm) REVERT: B 11 VAL cc_start: 0.8784 (t) cc_final: 0.8363 (p) REVERT: B 33 VAL cc_start: 0.8453 (t) cc_final: 0.7710 (t) REVERT: B 35 ASP cc_start: 0.6765 (t0) cc_final: 0.6250 (t0) REVERT: B 49 ARG cc_start: 0.5931 (tpp-160) cc_final: 0.5714 (tpp80) REVERT: B 51 ILE cc_start: 0.8362 (mt) cc_final: 0.7672 (mm) REVERT: B 116 GLU cc_start: 0.6657 (pt0) cc_final: 0.6258 (pt0) REVERT: B 136 LYS cc_start: 0.8612 (tmmt) cc_final: 0.7997 (ttpp) REVERT: B 138 MET cc_start: 0.7142 (ppp) cc_final: 0.6268 (ppp) REVERT: G 11 VAL cc_start: 0.9196 (t) cc_final: 0.8846 (p) REVERT: G 59 GLN cc_start: 0.7786 (mt0) cc_final: 0.7576 (mt0) REVERT: G 108 LEU cc_start: 0.8560 (tp) cc_final: 0.8077 (tp) REVERT: G 117 ASN cc_start: 0.6861 (t0) cc_final: 0.6569 (t0) REVERT: G 122 LEU cc_start: 0.8564 (tp) cc_final: 0.8288 (tp) REVERT: G 134 THR cc_start: 0.9248 (m) cc_final: 0.8933 (p) REVERT: H 18 LEU cc_start: 0.8734 (mt) cc_final: 0.7905 (mm) REVERT: H 35 ASP cc_start: 0.8220 (m-30) cc_final: 0.7057 (m-30) REVERT: H 37 GLN cc_start: 0.7738 (mm-40) cc_final: 0.7203 (mm110) REVERT: H 43 LEU cc_start: 0.8918 (tp) cc_final: 0.8639 (tp) REVERT: H 47 VAL cc_start: 0.9348 (t) cc_final: 0.8983 (t) REVERT: H 58 GLU cc_start: 0.8094 (pm20) cc_final: 0.7888 (pm20) REVERT: H 64 ASP cc_start: 0.7015 (t0) cc_final: 0.6286 (t0) REVERT: H 135 LYS cc_start: 0.8251 (tppp) cc_final: 0.7430 (tppp) REVERT: H 139 LEU cc_start: 0.8391 (mt) cc_final: 0.7487 (mt) REVERT: H 171 MET cc_start: 0.6178 (tpt) cc_final: 0.5880 (tpt) REVERT: H 179 GLU cc_start: 0.8221 (pt0) cc_final: 0.8003 (pt0) REVERT: I 24 ASP cc_start: 0.5703 (m-30) cc_final: 0.4926 (m-30) REVERT: I 57 THR cc_start: 0.8710 (p) cc_final: 0.8458 (p) REVERT: I 114 MET cc_start: 0.6796 (tpt) cc_final: 0.6371 (tpt) REVERT: I 115 SER cc_start: 0.8476 (m) cc_final: 0.8024 (p) REVERT: I 118 LEU cc_start: 0.8403 (mt) cc_final: 0.8093 (mt) REVERT: I 125 LEU cc_start: 0.8990 (mp) cc_final: 0.8503 (mt) REVERT: I 149 ASN cc_start: 0.7953 (m-40) cc_final: 0.7275 (m110) REVERT: I 176 LEU cc_start: 0.8478 (mt) cc_final: 0.7635 (mt) REVERT: J 27 LYS cc_start: 0.7421 (mtpt) cc_final: 0.7167 (mttm) REVERT: J 36 MET cc_start: 0.7011 (ptm) cc_final: 0.6784 (ptm) REVERT: J 50 THR cc_start: 0.8552 (t) cc_final: 0.8051 (p) REVERT: K 51 ILE cc_start: 0.8984 (OUTLIER) cc_final: 0.8649 (pt) REVERT: K 114 MET cc_start: 0.6882 (ttt) cc_final: 0.6278 (ttt) REVERT: K 171 MET cc_start: 0.6478 (tmm) cc_final: 0.5949 (tmm) REVERT: L 4 PHE cc_start: 0.5897 (t80) cc_final: 0.5597 (t80) REVERT: L 11 VAL cc_start: 0.8726 (t) cc_final: 0.7964 (p) REVERT: L 16 ASN cc_start: 0.8889 (m110) cc_final: 0.8634 (m-40) REVERT: L 33 VAL cc_start: 0.8698 (t) cc_final: 0.8486 (t) REVERT: L 34 ILE cc_start: 0.8647 (pt) cc_final: 0.8235 (pt) REVERT: L 35 ASP cc_start: 0.6215 (t0) cc_final: 0.5858 (t0) REVERT: L 49 ARG cc_start: 0.6035 (tpp-160) cc_final: 0.5760 (tpp80) REVERT: L 51 ILE cc_start: 0.8371 (mt) cc_final: 0.8148 (mm) REVERT: L 56 ARG cc_start: 0.8187 (mtt180) cc_final: 0.7235 (ptp-110) REVERT: L 136 LYS cc_start: 0.8442 (tmmt) cc_final: 0.7785 (ttpp) REVERT: L 149 ASN cc_start: 0.9248 (t0) cc_final: 0.8964 (t0) REVERT: L 171 MET cc_start: 0.8545 (mmp) cc_final: 0.8260 (mmp) REVERT: L 173 ASN cc_start: 0.7438 (m-40) cc_final: 0.7127 (m110) REVERT: M 34 ILE cc_start: 0.9106 (mt) cc_final: 0.8514 (mt) REVERT: M 43 LEU cc_start: 0.8668 (tp) cc_final: 0.8431 (tp) REVERT: M 108 LEU cc_start: 0.8396 (tp) cc_final: 0.8084 (tp) REVERT: M 117 ASN cc_start: 0.7000 (t0) cc_final: 0.6612 (t0) REVERT: M 122 LEU cc_start: 0.8655 (tp) cc_final: 0.8426 (tp) REVERT: M 134 THR cc_start: 0.8949 (m) cc_final: 0.8744 (p) REVERT: M 152 LEU cc_start: 0.8772 (mt) cc_final: 0.8354 (mt) REVERT: M 171 MET cc_start: 0.8698 (mmp) cc_final: 0.8182 (mmp) REVERT: M 174 LYS cc_start: 0.8877 (ptpt) cc_final: 0.8393 (ptpt) REVERT: M 177 ASP cc_start: 0.7783 (t70) cc_final: 0.7426 (t70) REVERT: M 193 ILE cc_start: 0.6824 (mp) cc_final: 0.6494 (mp) REVERT: N 18 LEU cc_start: 0.8626 (mt) cc_final: 0.7858 (mm) REVERT: N 35 ASP cc_start: 0.8118 (m-30) cc_final: 0.7028 (m-30) REVERT: N 37 GLN cc_start: 0.7701 (mm-40) cc_final: 0.7320 (mm-40) REVERT: N 40 LEU cc_start: 0.8559 (tp) cc_final: 0.8236 (tp) REVERT: N 64 ASP cc_start: 0.7344 (t0) cc_final: 0.6496 (t0) REVERT: N 133 LYS cc_start: 0.8653 (ttmt) cc_final: 0.8282 (ttmt) REVERT: N 135 LYS cc_start: 0.8069 (tppp) cc_final: 0.7551 (tppp) REVERT: N 171 MET cc_start: 0.5793 (tpt) cc_final: 0.5430 (tpt) REVERT: O 114 MET cc_start: 0.6846 (tpt) cc_final: 0.6193 (tpt) REVERT: O 115 SER cc_start: 0.8559 (m) cc_final: 0.7597 (p) REVERT: O 125 LEU cc_start: 0.8797 (mp) cc_final: 0.8424 (mt) REVERT: O 149 ASN cc_start: 0.8320 (m-40) cc_final: 0.7478 (m110) REVERT: O 176 LEU cc_start: 0.8079 (mt) cc_final: 0.7607 (mt) REVERT: P 27 LYS cc_start: 0.7705 (mtpt) cc_final: 0.7457 (mttm) REVERT: P 36 MET cc_start: 0.6705 (ptm) cc_final: 0.6279 (ptm) REVERT: P 50 THR cc_start: 0.8437 (t) cc_final: 0.7807 (p) REVERT: P 64 ASP cc_start: 0.8222 (m-30) cc_final: 0.7976 (t0) REVERT: P 85 ASN cc_start: 0.6183 (t0) cc_final: 0.5770 (t0) REVERT: Q 114 MET cc_start: 0.7303 (ttt) cc_final: 0.6310 (ttt) REVERT: Q 171 MET cc_start: 0.6426 (tmm) cc_final: 0.5426 (tmm) REVERT: Q 181 THR cc_start: 0.7246 (p) cc_final: 0.6951 (p) REVERT: R 11 VAL cc_start: 0.8925 (t) cc_final: 0.8101 (p) REVERT: R 16 ASN cc_start: 0.8697 (m110) cc_final: 0.8268 (m-40) REVERT: R 34 ILE cc_start: 0.8683 (pt) cc_final: 0.7877 (pt) REVERT: R 51 ILE cc_start: 0.8401 (mt) cc_final: 0.7965 (mm) REVERT: R 136 LYS cc_start: 0.8181 (tmmt) cc_final: 0.7389 (ttpp) REVERT: R 138 MET cc_start: 0.7025 (ppp) cc_final: 0.6418 (ppp) REVERT: R 139 LEU cc_start: 0.8218 (mt) cc_final: 0.7693 (mt) REVERT: R 171 MET cc_start: 0.9025 (mmp) cc_final: 0.7583 (mmp) REVERT: R 174 LYS cc_start: 0.7932 (mtmt) cc_final: 0.7609 (mtpt) REVERT: R 188 LEU cc_start: 0.8745 (mt) cc_final: 0.8511 (mt) REVERT: S 36 MET cc_start: 0.6856 (tmm) cc_final: 0.6608 (tmm) REVERT: S 108 LEU cc_start: 0.8683 (tp) cc_final: 0.8364 (tp) REVERT: S 117 ASN cc_start: 0.7246 (t0) cc_final: 0.6906 (t0) REVERT: S 152 LEU cc_start: 0.8835 (mt) cc_final: 0.8409 (mt) REVERT: S 177 ASP cc_start: 0.7788 (t70) cc_final: 0.7378 (t70) REVERT: T 35 ASP cc_start: 0.8583 (m-30) cc_final: 0.6320 (m-30) REVERT: T 40 LEU cc_start: 0.8636 (tp) cc_final: 0.8333 (tp) REVERT: T 64 ASP cc_start: 0.7175 (t0) cc_final: 0.6823 (t0) REVERT: T 135 LYS cc_start: 0.7907 (tppp) cc_final: 0.7580 (tppp) REVERT: T 136 LYS cc_start: 0.8488 (ttmt) cc_final: 0.8260 (ttmm) REVERT: T 139 LEU cc_start: 0.7905 (mt) cc_final: 0.7037 (mt) REVERT: T 196 GLN cc_start: 0.7303 (mp-120) cc_final: 0.7050 (mp10) REVERT: U 19 VAL cc_start: 0.8509 (t) cc_final: 0.8208 (t) REVERT: U 24 ASP cc_start: 0.5138 (m-30) cc_final: 0.4848 (m-30) REVERT: U 55 LYS cc_start: 0.8410 (mmtt) cc_final: 0.7688 (mmmt) REVERT: U 57 THR cc_start: 0.8874 (p) cc_final: 0.8337 (p) REVERT: U 64 ASP cc_start: 0.6713 (m-30) cc_final: 0.5613 (m-30) REVERT: U 107 GLN cc_start: 0.7481 (tp40) cc_final: 0.7138 (tp-100) REVERT: U 115 SER cc_start: 0.8716 (m) cc_final: 0.8147 (p) REVERT: U 129 ILE cc_start: 0.9431 (mm) cc_final: 0.9206 (mm) REVERT: U 138 MET cc_start: 0.7068 (mtm) cc_final: 0.6809 (mtp) REVERT: U 149 ASN cc_start: 0.8231 (m-40) cc_final: 0.7307 (m110) REVERT: U 171 MET cc_start: 0.8447 (mmp) cc_final: 0.7790 (mmp) REVERT: U 176 LEU cc_start: 0.8605 (mt) cc_final: 0.7928 (mt) REVERT: U 208 ASP cc_start: 0.7741 (m-30) cc_final: 0.7529 (m-30) REVERT: V 27 LYS cc_start: 0.7918 (mtpt) cc_final: 0.7215 (mttm) REVERT: V 85 ASN cc_start: 0.5746 (t0) cc_final: 0.5226 (t0) REVERT: V 104 TYR cc_start: 0.7479 (m-10) cc_final: 0.7040 (m-10) REVERT: W 34 ILE cc_start: 0.8508 (mt) cc_final: 0.8026 (mt) REVERT: W 40 LEU cc_start: 0.7968 (tp) cc_final: 0.7400 (tp) REVERT: W 114 MET cc_start: 0.7279 (ttt) cc_final: 0.6556 (ttt) REVERT: W 171 MET cc_start: 0.6715 (tmm) cc_final: 0.5562 (tmm) REVERT: X 11 VAL cc_start: 0.8566 (t) cc_final: 0.8144 (p) REVERT: X 29 LEU cc_start: 0.8729 (tp) cc_final: 0.8448 (tp) REVERT: X 34 ILE cc_start: 0.8611 (pt) cc_final: 0.8335 (pt) REVERT: X 136 LYS cc_start: 0.8491 (tmmt) cc_final: 0.7725 (ttpp) REVERT: X 138 MET cc_start: 0.6896 (ppp) cc_final: 0.6620 (ppp) REVERT: X 171 MET cc_start: 0.8708 (mmp) cc_final: 0.8306 (mmp) REVERT: X 173 ASN cc_start: 0.7731 (m-40) cc_final: 0.6907 (m-40) REVERT: Y 58 GLU cc_start: 0.8330 (pm20) cc_final: 0.6955 (pm20) REVERT: Y 117 ASN cc_start: 0.7148 (t0) cc_final: 0.6912 (t0) REVERT: Y 122 LEU cc_start: 0.8817 (tp) cc_final: 0.8546 (tp) REVERT: Y 134 THR cc_start: 0.9159 (m) cc_final: 0.8868 (p) REVERT: Y 187 GLU cc_start: 0.6341 (pp20) cc_final: 0.5234 (tm-30) REVERT: Y 193 ILE cc_start: 0.7003 (mp) cc_final: 0.6791 (mp) REVERT: Z 47 VAL cc_start: 0.9440 (t) cc_final: 0.9127 (t) REVERT: Z 56 ARG cc_start: 0.6597 (tpm170) cc_final: 0.5357 (tpp-160) REVERT: Z 64 ASP cc_start: 0.7496 (t0) cc_final: 0.6436 (t0) REVERT: Z 136 LYS cc_start: 0.8394 (ttmt) cc_final: 0.8154 (ttmm) REVERT: Z 139 LEU cc_start: 0.8304 (mt) cc_final: 0.7946 (mt) REVERT: Z 171 MET cc_start: 0.6321 (tpt) cc_final: 0.5856 (tpt) REVERT: Z 179 GLU cc_start: 0.8218 (pt0) cc_final: 0.7877 (pt0) REVERT: 0 19 VAL cc_start: 0.8597 (t) cc_final: 0.8368 (t) REVERT: 0 24 ASP cc_start: 0.5235 (m-30) cc_final: 0.4469 (m-30) REVERT: 0 57 THR cc_start: 0.8385 (p) cc_final: 0.7746 (p) REVERT: 0 97 LEU cc_start: 0.8731 (mt) cc_final: 0.8380 (mt) REVERT: 0 115 SER cc_start: 0.8536 (m) cc_final: 0.7490 (p) REVERT: 0 125 LEU cc_start: 0.8901 (mp) cc_final: 0.8600 (mt) REVERT: 0 138 MET cc_start: 0.7320 (mtm) cc_final: 0.6949 (mtp) REVERT: 0 149 ASN cc_start: 0.7903 (m-40) cc_final: 0.7426 (m110) REVERT: 0 171 MET cc_start: 0.7795 (mmp) cc_final: 0.7493 (mmp) REVERT: 0 176 LEU cc_start: 0.8194 (mt) cc_final: 0.7134 (mt) REVERT: 1 27 LYS cc_start: 0.8012 (mtpt) cc_final: 0.7652 (mttm) REVERT: 1 50 THR cc_start: 0.8405 (t) cc_final: 0.7709 (p) REVERT: 1 51 ILE cc_start: 0.8805 (mt) cc_final: 0.8478 (mt) REVERT: 1 86 LEU cc_start: 0.7794 (tp) cc_final: 0.7419 (tp) REVERT: 1 118 LEU cc_start: 0.7759 (mt) cc_final: 0.7471 (mt) REVERT: 2 114 MET cc_start: 0.7083 (ttt) cc_final: 0.6731 (ttt) REVERT: 2 171 MET cc_start: 0.6198 (tmm) cc_final: 0.5409 (tmm) REVERT: 3 11 VAL cc_start: 0.8686 (t) cc_final: 0.8192 (p) REVERT: 3 16 ASN cc_start: 0.8662 (m110) cc_final: 0.8026 (m110) REVERT: 3 33 VAL cc_start: 0.8263 (t) cc_final: 0.7701 (t) REVERT: 3 136 LYS cc_start: 0.8582 (tmmt) cc_final: 0.7935 (ttpp) REVERT: 3 171 MET cc_start: 0.8923 (mmm) cc_final: 0.7973 (mmp) REVERT: 3 188 LEU cc_start: 0.8920 (mt) cc_final: 0.8627 (mt) REVERT: 4 64 ASP cc_start: 0.8360 (p0) cc_final: 0.7245 (p0) REVERT: 4 108 LEU cc_start: 0.8673 (tp) cc_final: 0.8252 (tp) REVERT: 4 117 ASN cc_start: 0.6998 (t0) cc_final: 0.6450 (t0) REVERT: 4 152 LEU cc_start: 0.8997 (mt) cc_final: 0.8563 (mt) REVERT: 4 176 LEU cc_start: 0.8823 (mt) cc_final: 0.8582 (mm) REVERT: 4 193 ILE cc_start: 0.6563 (mp) cc_final: 0.6281 (mp) REVERT: 5 17 ASP cc_start: 0.7804 (m-30) cc_final: 0.7221 (m-30) REVERT: 5 18 LEU cc_start: 0.8648 (mt) cc_final: 0.7496 (mm) REVERT: 5 35 ASP cc_start: 0.8585 (m-30) cc_final: 0.7379 (m-30) REVERT: 5 37 GLN cc_start: 0.8359 (mm-40) cc_final: 0.7849 (mm110) REVERT: 5 64 ASP cc_start: 0.7195 (t0) cc_final: 0.6883 (t0) REVERT: 5 122 LEU cc_start: 0.8293 (tp) cc_final: 0.8088 (tp) REVERT: 5 133 LYS cc_start: 0.8743 (ttmt) cc_final: 0.8307 (ttmt) REVERT: 5 135 LYS cc_start: 0.8354 (tppp) cc_final: 0.7700 (tppp) REVERT: 5 139 LEU cc_start: 0.8457 (mt) cc_final: 0.8071 (mt) REVERT: 5 171 MET cc_start: 0.6451 (tpt) cc_final: 0.6049 (tpt) REVERT: 6 107 GLN cc_start: 0.7843 (tp40) cc_final: 0.7375 (tp-100) REVERT: 6 110 GLN cc_start: 0.7276 (tm-30) cc_final: 0.5812 (tm-30) REVERT: 6 149 ASN cc_start: 0.7604 (m-40) cc_final: 0.6439 (m110) REVERT: 6 176 LEU cc_start: 0.8066 (mt) cc_final: 0.7589 (mt) REVERT: 7 27 LYS cc_start: 0.7574 (mtpt) cc_final: 0.7103 (mttm) REVERT: 7 85 ASN cc_start: 0.6514 (t0) cc_final: 0.5998 (t0) REVERT: 8 3 LEU cc_start: 0.7593 (tp) cc_final: 0.7231 (pt) REVERT: 8 40 LEU cc_start: 0.7940 (tp) cc_final: 0.7296 (tp) REVERT: 8 51 ILE cc_start: 0.9107 (OUTLIER) cc_final: 0.8708 (pt) REVERT: 8 114 MET cc_start: 0.6705 (ttt) cc_final: 0.6046 (ttt) REVERT: 8 169 GLU cc_start: 0.5509 (mt-10) cc_final: 0.4943 (mt-10) REVERT: 8 171 MET cc_start: 0.6423 (tmm) cc_final: 0.5490 (tmm) REVERT: 9 4 PHE cc_start: 0.6086 (t80) cc_final: 0.5734 (t80) REVERT: 9 11 VAL cc_start: 0.8585 (t) cc_final: 0.8082 (p) REVERT: 9 16 ASN cc_start: 0.8713 (m110) cc_final: 0.8390 (m-40) REVERT: 9 29 LEU cc_start: 0.8879 (tp) cc_final: 0.8421 (tp) REVERT: 9 34 ILE cc_start: 0.8721 (pt) cc_final: 0.8124 (pt) REVERT: 9 136 LYS cc_start: 0.8284 (tmmt) cc_final: 0.7758 (ttpp) REVERT: 9 138 MET cc_start: 0.6876 (ppp) cc_final: 0.6646 (ppp) REVERT: a 108 LEU cc_start: 0.8545 (tp) cc_final: 0.8161 (tp) REVERT: a 117 ASN cc_start: 0.7032 (t0) cc_final: 0.6705 (t0) REVERT: a 122 LEU cc_start: 0.8869 (tp) cc_final: 0.8636 (tp) REVERT: b 16 ASN cc_start: 0.7578 (m-40) cc_final: 0.7246 (m110) REVERT: b 17 ASP cc_start: 0.7732 (m-30) cc_final: 0.6979 (m-30) REVERT: b 35 ASP cc_start: 0.8234 (m-30) cc_final: 0.6860 (m-30) REVERT: b 37 GLN cc_start: 0.7417 (mm110) cc_final: 0.7091 (mm-40) REVERT: b 47 VAL cc_start: 0.9346 (t) cc_final: 0.8974 (t) REVERT: b 64 ASP cc_start: 0.7482 (t0) cc_final: 0.6781 (t0) REVERT: b 135 LYS cc_start: 0.8408 (tppp) cc_final: 0.7856 (tppp) REVERT: b 136 LYS cc_start: 0.8590 (ttpp) cc_final: 0.8198 (tttp) REVERT: b 139 LEU cc_start: 0.8184 (mt) cc_final: 0.7349 (mt) REVERT: b 171 MET cc_start: 0.6010 (tpt) cc_final: 0.5597 (tpt) REVERT: b 196 GLN cc_start: 0.7858 (mp-120) cc_final: 0.7129 (mp10) REVERT: b 206 VAL cc_start: 0.7427 (p) cc_final: 0.6512 (m) REVERT: c 19 VAL cc_start: 0.8621 (t) cc_final: 0.8339 (t) REVERT: c 57 THR cc_start: 0.8763 (p) cc_final: 0.8241 (p) REVERT: c 149 ASN cc_start: 0.7771 (m-40) cc_final: 0.7072 (m110) REVERT: c 176 LEU cc_start: 0.8051 (mt) cc_final: 0.7684 (mt) REVERT: c 208 ASP cc_start: 0.7258 (m-30) cc_final: 0.7019 (m-30) REVERT: d 50 THR cc_start: 0.8613 (t) cc_final: 0.8145 (p) REVERT: d 85 ASN cc_start: 0.6787 (t0) cc_final: 0.6246 (t0) REVERT: e 40 LEU cc_start: 0.7922 (tp) cc_final: 0.7294 (tp) REVERT: e 114 MET cc_start: 0.7462 (ttt) cc_final: 0.7024 (ttt) REVERT: e 171 MET cc_start: 0.5880 (tmm) cc_final: 0.5307 (tmm) REVERT: f 11 VAL cc_start: 0.8409 (t) cc_final: 0.7740 (p) REVERT: f 16 ASN cc_start: 0.8811 (m110) cc_final: 0.8293 (m110) REVERT: f 28 VAL cc_start: 0.9457 (m) cc_final: 0.9172 (m) REVERT: f 33 VAL cc_start: 0.8275 (t) cc_final: 0.7547 (t) REVERT: f 34 ILE cc_start: 0.8569 (pt) cc_final: 0.7885 (pt) REVERT: f 49 ARG cc_start: 0.5760 (tpp-160) cc_final: 0.5466 (tpp-160) REVERT: f 56 ARG cc_start: 0.8314 (mtt180) cc_final: 0.7878 (mtt-85) REVERT: f 136 LYS cc_start: 0.8374 (tmmt) cc_final: 0.7921 (ttpp) REVERT: f 138 MET cc_start: 0.6922 (ppp) cc_final: 0.6675 (ppp) REVERT: f 139 LEU cc_start: 0.8189 (mt) cc_final: 0.7855 (mt) REVERT: f 171 MET cc_start: 0.8820 (mmm) cc_final: 0.8146 (mmp) REVERT: f 188 LEU cc_start: 0.8851 (mt) cc_final: 0.8616 (mt) REVERT: g 34 ILE cc_start: 0.9248 (mt) cc_final: 0.8976 (mt) REVERT: g 64 ASP cc_start: 0.8341 (p0) cc_final: 0.7071 (p0) REVERT: g 108 LEU cc_start: 0.8518 (tp) cc_final: 0.8142 (tp) REVERT: g 117 ASN cc_start: 0.6749 (t0) cc_final: 0.6311 (t0) REVERT: g 134 THR cc_start: 0.9006 (m) cc_final: 0.8766 (p) REVERT: g 156 LEU cc_start: 0.8865 (mt) cc_final: 0.8530 (pp) REVERT: h 18 LEU cc_start: 0.8944 (mm) cc_final: 0.7747 (mm) REVERT: h 47 VAL cc_start: 0.9338 (t) cc_final: 0.8735 (t) REVERT: h 135 LYS cc_start: 0.8281 (tppp) cc_final: 0.7583 (tppp) REVERT: h 139 LEU cc_start: 0.8450 (mt) cc_final: 0.7575 (mt) REVERT: h 171 MET cc_start: 0.6270 (tpt) cc_final: 0.6065 (tpt) REVERT: i 57 THR cc_start: 0.8918 (p) cc_final: 0.8453 (p) REVERT: i 110 GLN cc_start: 0.7806 (tm-30) cc_final: 0.7520 (tm-30) REVERT: i 114 MET cc_start: 0.6526 (tpt) cc_final: 0.6181 (tpp) REVERT: i 118 LEU cc_start: 0.8506 (mt) cc_final: 0.8282 (mt) REVERT: i 125 LEU cc_start: 0.9004 (mp) cc_final: 0.8431 (mt) REVERT: i 149 ASN cc_start: 0.7470 (m-40) cc_final: 0.6962 (m110) REVERT: i 171 MET cc_start: 0.8215 (mmp) cc_final: 0.7930 (mmp) REVERT: i 176 LEU cc_start: 0.8595 (mt) cc_final: 0.8073 (mt) REVERT: i 208 ASP cc_start: 0.6967 (m-30) cc_final: 0.6761 (m-30) REVERT: j 27 LYS cc_start: 0.8022 (mtpt) cc_final: 0.7760 (mttm) REVERT: j 50 THR cc_start: 0.8104 (t) cc_final: 0.7840 (p) REVERT: j 104 TYR cc_start: 0.7311 (m-80) cc_final: 0.7102 (m-10) REVERT: k 35 ASP cc_start: 0.8450 (m-30) cc_final: 0.8214 (m-30) REVERT: k 114 MET cc_start: 0.7173 (ttt) cc_final: 0.6436 (ttt) REVERT: k 128 LYS cc_start: 0.7954 (ptpt) cc_final: 0.7499 (ptpt) REVERT: k 171 MET cc_start: 0.6107 (tmm) cc_final: 0.5193 (tmm) REVERT: k 181 THR cc_start: 0.7177 (p) cc_final: 0.6538 (p) REVERT: l 11 VAL cc_start: 0.8869 (t) cc_final: 0.8430 (p) REVERT: l 33 VAL cc_start: 0.8395 (t) cc_final: 0.7662 (t) REVERT: l 35 ASP cc_start: 0.6507 (t0) cc_final: 0.6159 (t0) REVERT: l 51 ILE cc_start: 0.8364 (mt) cc_final: 0.7683 (mm) REVERT: l 116 GLU cc_start: 0.6621 (pt0) cc_final: 0.6248 (pt0) REVERT: l 136 LYS cc_start: 0.8594 (tmmt) cc_final: 0.8037 (ttpp) REVERT: l 138 MET cc_start: 0.7009 (ppp) cc_final: 0.6189 (ppp) REVERT: l 188 LEU cc_start: 0.8977 (mt) cc_final: 0.8754 (mt) REVERT: m 11 VAL cc_start: 0.9185 (t) cc_final: 0.8842 (p) REVERT: m 108 LEU cc_start: 0.8580 (tp) cc_final: 0.8116 (tp) REVERT: m 117 ASN cc_start: 0.6841 (t0) cc_final: 0.6550 (t0) REVERT: m 122 LEU cc_start: 0.8554 (tp) cc_final: 0.8270 (tp) REVERT: m 134 THR cc_start: 0.9297 (m) cc_final: 0.8996 (p) REVERT: n 17 ASP cc_start: 0.8368 (m-30) cc_final: 0.8103 (m-30) REVERT: n 18 LEU cc_start: 0.8746 (mt) cc_final: 0.7925 (mm) REVERT: n 35 ASP cc_start: 0.8263 (m-30) cc_final: 0.7094 (m-30) REVERT: n 37 GLN cc_start: 0.7749 (mm-40) cc_final: 0.7259 (mm110) REVERT: n 43 LEU cc_start: 0.8924 (tp) cc_final: 0.8650 (tp) REVERT: n 47 VAL cc_start: 0.9346 (t) cc_final: 0.8946 (t) REVERT: n 64 ASP cc_start: 0.7055 (t0) cc_final: 0.6391 (t0) REVERT: n 135 LYS cc_start: 0.8248 (tppp) cc_final: 0.7426 (tppp) REVERT: n 139 LEU cc_start: 0.8387 (mt) cc_final: 0.7472 (mt) REVERT: n 171 MET cc_start: 0.6172 (tpt) cc_final: 0.5736 (tpt) REVERT: n 179 GLU cc_start: 0.8207 (pt0) cc_final: 0.7949 (pt0) REVERT: o 24 ASP cc_start: 0.5685 (m-30) cc_final: 0.5003 (m-30) REVERT: o 57 THR cc_start: 0.8677 (p) cc_final: 0.8462 (p) REVERT: o 114 MET cc_start: 0.6759 (tpt) cc_final: 0.6317 (tpt) REVERT: o 115 SER cc_start: 0.8447 (m) cc_final: 0.8021 (p) REVERT: o 118 LEU cc_start: 0.8389 (mt) cc_final: 0.8103 (mt) REVERT: o 125 LEU cc_start: 0.8992 (mp) cc_final: 0.8517 (mt) REVERT: o 149 ASN cc_start: 0.7963 (m-40) cc_final: 0.7180 (m110) REVERT: o 176 LEU cc_start: 0.8341 (mt) cc_final: 0.7545 (mt) REVERT: p 27 LYS cc_start: 0.7489 (mtpt) cc_final: 0.7161 (mttm) REVERT: p 50 THR cc_start: 0.8527 (t) cc_final: 0.8041 (p) REVERT: q 51 ILE cc_start: 0.8966 (OUTLIER) cc_final: 0.8647 (pt) REVERT: q 114 MET cc_start: 0.6876 (ttt) cc_final: 0.6267 (ttt) REVERT: q 171 MET cc_start: 0.6125 (tmm) cc_final: 0.5330 (tmm) REVERT: r 4 PHE cc_start: 0.5946 (t80) cc_final: 0.5660 (t80) REVERT: r 11 VAL cc_start: 0.8709 (t) cc_final: 0.7959 (p) REVERT: r 16 ASN cc_start: 0.8925 (m110) cc_final: 0.8618 (m-40) REVERT: r 34 ILE cc_start: 0.8619 (pt) cc_final: 0.8222 (pt) REVERT: r 35 ASP cc_start: 0.6172 (t0) cc_final: 0.5906 (t0) REVERT: r 49 ARG cc_start: 0.6054 (tpp-160) cc_final: 0.5777 (tpp80) REVERT: r 56 ARG cc_start: 0.8184 (mtt180) cc_final: 0.7229 (ptp-110) REVERT: r 136 LYS cc_start: 0.8413 (tmmt) cc_final: 0.7780 (ttpp) REVERT: r 149 ASN cc_start: 0.9254 (t0) cc_final: 0.8946 (t0) REVERT: r 171 MET cc_start: 0.8575 (mmp) cc_final: 0.8209 (mmp) REVERT: s 34 ILE cc_start: 0.9125 (mt) cc_final: 0.8484 (mt) REVERT: s 43 LEU cc_start: 0.8674 (tp) cc_final: 0.8409 (tp) REVERT: s 108 LEU cc_start: 0.8382 (tp) cc_final: 0.8087 (tp) REVERT: s 117 ASN cc_start: 0.7083 (t0) cc_final: 0.6657 (t0) REVERT: s 122 LEU cc_start: 0.8640 (tp) cc_final: 0.8426 (tp) REVERT: s 134 THR cc_start: 0.8961 (m) cc_final: 0.8754 (p) REVERT: s 152 LEU cc_start: 0.8771 (mt) cc_final: 0.8292 (mt) REVERT: s 171 MET cc_start: 0.8718 (mmp) cc_final: 0.8206 (mmp) REVERT: s 174 LYS cc_start: 0.8878 (ptpt) cc_final: 0.8395 (ptpt) REVERT: s 177 ASP cc_start: 0.7776 (t70) cc_final: 0.7503 (t70) REVERT: s 193 ILE cc_start: 0.6880 (mp) cc_final: 0.6535 (mp) REVERT: t 18 LEU cc_start: 0.8596 (mt) cc_final: 0.7802 (mm) REVERT: t 35 ASP cc_start: 0.8168 (m-30) cc_final: 0.7031 (m-30) REVERT: t 37 GLN cc_start: 0.7669 (mm-40) cc_final: 0.7204 (mm-40) REVERT: t 40 LEU cc_start: 0.8559 (tp) cc_final: 0.8222 (tp) REVERT: t 64 ASP cc_start: 0.7099 (t0) cc_final: 0.6394 (t0) REVERT: t 133 LYS cc_start: 0.8643 (ttmt) cc_final: 0.8300 (ttmt) REVERT: t 135 LYS cc_start: 0.8053 (tppp) cc_final: 0.7546 (tppp) REVERT: t 171 MET cc_start: 0.5823 (tpt) cc_final: 0.5535 (tpt) REVERT: u 114 MET cc_start: 0.6786 (tpt) cc_final: 0.6244 (tpt) REVERT: u 115 SER cc_start: 0.8516 (m) cc_final: 0.7601 (p) REVERT: u 125 LEU cc_start: 0.8806 (mp) cc_final: 0.8442 (mt) REVERT: u 149 ASN cc_start: 0.8349 (m-40) cc_final: 0.7493 (m110) REVERT: u 176 LEU cc_start: 0.8163 (mt) cc_final: 0.7641 (mt) REVERT: v 27 LYS cc_start: 0.7685 (mtpt) cc_final: 0.7453 (mttm) REVERT: v 36 MET cc_start: 0.6640 (ptm) cc_final: 0.6250 (ptm) REVERT: v 50 THR cc_start: 0.8422 (t) cc_final: 0.7814 (p) REVERT: v 64 ASP cc_start: 0.8236 (m-30) cc_final: 0.7966 (t0) REVERT: v 85 ASN cc_start: 0.6228 (t0) cc_final: 0.5772 (t0) REVERT: w 114 MET cc_start: 0.7268 (ttt) cc_final: 0.6299 (ttt) REVERT: w 171 MET cc_start: 0.6422 (tmm) cc_final: 0.5385 (tmm) REVERT: w 181 THR cc_start: 0.7239 (p) cc_final: 0.6903 (p) REVERT: x 11 VAL cc_start: 0.8947 (t) cc_final: 0.8100 (p) REVERT: x 16 ASN cc_start: 0.8696 (m110) cc_final: 0.8326 (m-40) REVERT: x 34 ILE cc_start: 0.8690 (pt) cc_final: 0.7866 (pt) REVERT: x 51 ILE cc_start: 0.8406 (mt) cc_final: 0.7942 (mm) REVERT: x 136 LYS cc_start: 0.8195 (tmmt) cc_final: 0.7348 (ttpp) REVERT: x 138 MET cc_start: 0.7015 (ppp) cc_final: 0.6405 (ppp) REVERT: x 139 LEU cc_start: 0.8228 (mt) cc_final: 0.7690 (mt) REVERT: x 171 MET cc_start: 0.9003 (mmp) cc_final: 0.7560 (mmp) REVERT: x 174 LYS cc_start: 0.7936 (mtmt) cc_final: 0.7585 (mtpt) REVERT: x 188 LEU cc_start: 0.8770 (mt) cc_final: 0.8502 (mt) REVERT: y 36 MET cc_start: 0.6871 (tmm) cc_final: 0.6631 (tmm) REVERT: y 108 LEU cc_start: 0.8674 (tp) cc_final: 0.8357 (tp) REVERT: y 117 ASN cc_start: 0.7239 (t0) cc_final: 0.6870 (t0) REVERT: y 152 LEU cc_start: 0.8830 (mt) cc_final: 0.8448 (mt) REVERT: y 177 ASP cc_start: 0.7801 (t70) cc_final: 0.7399 (t70) REVERT: z 35 ASP cc_start: 0.8607 (m-30) cc_final: 0.6362 (m-30) REVERT: z 40 LEU cc_start: 0.8622 (tp) cc_final: 0.8327 (tp) REVERT: z 64 ASP cc_start: 0.7120 (t0) cc_final: 0.6889 (t0) REVERT: z 135 LYS cc_start: 0.7931 (tppp) cc_final: 0.7678 (tppp) REVERT: z 139 LEU cc_start: 0.8024 (mt) cc_final: 0.7190 (mt) REVERT: z 196 GLN cc_start: 0.7265 (mp-120) cc_final: 0.7052 (mp10) REVERT: AA 19 VAL cc_start: 0.8563 (t) cc_final: 0.8253 (t) REVERT: AA 24 ASP cc_start: 0.5213 (m-30) cc_final: 0.4931 (m-30) REVERT: AA 55 LYS cc_start: 0.8456 (mmtt) cc_final: 0.7720 (mmmt) REVERT: AA 57 THR cc_start: 0.8862 (p) cc_final: 0.8321 (p) REVERT: AA 64 ASP cc_start: 0.6816 (m-30) cc_final: 0.5683 (m-30) REVERT: AA 107 GLN cc_start: 0.7496 (tp-100) cc_final: 0.7160 (tp-100) REVERT: AA 115 SER cc_start: 0.8760 (m) cc_final: 0.8164 (p) REVERT: AA 129 ILE cc_start: 0.9429 (mm) cc_final: 0.9198 (mm) REVERT: AA 138 MET cc_start: 0.7108 (mtm) cc_final: 0.6878 (mtp) REVERT: AA 149 ASN cc_start: 0.8211 (m-40) cc_final: 0.7368 (m110) REVERT: AA 171 MET cc_start: 0.8420 (mmp) cc_final: 0.7766 (mmp) REVERT: AA 176 LEU cc_start: 0.8599 (mt) cc_final: 0.7907 (mt) REVERT: AA 208 ASP cc_start: 0.7776 (m-30) cc_final: 0.7575 (m-30) REVERT: AB 27 LYS cc_start: 0.7876 (mtpt) cc_final: 0.7181 (mttm) REVERT: AB 85 ASN cc_start: 0.5837 (t0) cc_final: 0.5261 (t0) REVERT: AB 104 TYR cc_start: 0.7437 (m-10) cc_final: 0.6990 (m-10) REVERT: AC 34 ILE cc_start: 0.8463 (mt) cc_final: 0.8024 (mt) REVERT: AC 40 LEU cc_start: 0.7964 (tp) cc_final: 0.7410 (tp) REVERT: AC 114 MET cc_start: 0.7314 (ttt) cc_final: 0.6585 (ttt) REVERT: AC 171 MET cc_start: 0.6710 (tmm) cc_final: 0.5586 (tmm) REVERT: AD 11 VAL cc_start: 0.8581 (t) cc_final: 0.8146 (p) REVERT: AD 29 LEU cc_start: 0.8746 (tp) cc_final: 0.8443 (tp) REVERT: AD 34 ILE cc_start: 0.8616 (pt) cc_final: 0.8279 (pt) REVERT: AD 136 LYS cc_start: 0.8477 (tmmt) cc_final: 0.7691 (ttpp) REVERT: AD 138 MET cc_start: 0.6962 (ppp) cc_final: 0.6711 (ppp) REVERT: AD 171 MET cc_start: 0.8897 (mmm) cc_final: 0.8261 (mmp) REVERT: AD 173 ASN cc_start: 0.7776 (m-40) cc_final: 0.7093 (m-40) REVERT: AE 58 GLU cc_start: 0.8376 (pm20) cc_final: 0.7011 (pm20) REVERT: AE 117 ASN cc_start: 0.7117 (t0) cc_final: 0.6887 (t0) REVERT: AE 122 LEU cc_start: 0.8816 (tp) cc_final: 0.8537 (tp) REVERT: AE 134 THR cc_start: 0.9142 (m) cc_final: 0.8889 (p) REVERT: AE 187 GLU cc_start: 0.6334 (pp20) cc_final: 0.5260 (tm-30) REVERT: AE 193 ILE cc_start: 0.6984 (mp) cc_final: 0.6777 (mp) REVERT: AF 47 VAL cc_start: 0.9457 (t) cc_final: 0.9123 (t) REVERT: AF 56 ARG cc_start: 0.6515 (tpm170) cc_final: 0.5347 (tpp-160) REVERT: AF 64 ASP cc_start: 0.7459 (t0) cc_final: 0.6430 (t0) REVERT: AF 136 LYS cc_start: 0.8411 (ttmt) cc_final: 0.8092 (ttmm) REVERT: AF 139 LEU cc_start: 0.8312 (mt) cc_final: 0.7970 (mt) REVERT: AF 171 MET cc_start: 0.6333 (tpt) cc_final: 0.5899 (tpt) REVERT: AF 179 GLU cc_start: 0.8330 (pt0) cc_final: 0.7991 (pt0) REVERT: AG 19 VAL cc_start: 0.8589 (t) cc_final: 0.8341 (t) REVERT: AG 24 ASP cc_start: 0.5351 (m-30) cc_final: 0.4548 (m-30) REVERT: AG 57 THR cc_start: 0.8417 (p) cc_final: 0.7726 (p) REVERT: AG 97 LEU cc_start: 0.8719 (mt) cc_final: 0.8382 (mt) REVERT: AG 115 SER cc_start: 0.8571 (m) cc_final: 0.7513 (p) REVERT: AG 125 LEU cc_start: 0.8901 (mp) cc_final: 0.8607 (mt) REVERT: AG 138 MET cc_start: 0.7349 (mtm) cc_final: 0.6961 (mtp) REVERT: AG 149 ASN cc_start: 0.7857 (m-40) cc_final: 0.7382 (m110) REVERT: AG 171 MET cc_start: 0.7706 (mmp) cc_final: 0.7495 (mmp) REVERT: AG 176 LEU cc_start: 0.8210 (mt) cc_final: 0.7130 (mt) REVERT: AH 27 LYS cc_start: 0.8019 (mtpt) cc_final: 0.7632 (mttm) REVERT: AH 50 THR cc_start: 0.8157 (t) cc_final: 0.7733 (p) REVERT: AH 51 ILE cc_start: 0.8688 (mt) cc_final: 0.8075 (mt) REVERT: AH 118 LEU cc_start: 0.7702 (mt) cc_final: 0.7479 (mt) REVERT: AI 114 MET cc_start: 0.7126 (ttt) cc_final: 0.6841 (ttt) REVERT: AI 171 MET cc_start: 0.6176 (tmm) cc_final: 0.5384 (tmm) REVERT: AJ 11 VAL cc_start: 0.8716 (t) cc_final: 0.8226 (p) REVERT: AJ 16 ASN cc_start: 0.8667 (m110) cc_final: 0.8010 (m110) REVERT: AJ 33 VAL cc_start: 0.8267 (t) cc_final: 0.7712 (t) REVERT: AJ 136 LYS cc_start: 0.8541 (tmmt) cc_final: 0.7908 (ttpp) REVERT: AJ 171 MET cc_start: 0.8881 (mmm) cc_final: 0.7934 (mmp) REVERT: AJ 188 LEU cc_start: 0.8909 (mt) cc_final: 0.8617 (mt) REVERT: AK 64 ASP cc_start: 0.8344 (p0) cc_final: 0.7271 (p0) REVERT: AK 108 LEU cc_start: 0.8649 (tp) cc_final: 0.8232 (tp) REVERT: AK 117 ASN cc_start: 0.6998 (t0) cc_final: 0.6500 (t0) REVERT: AK 122 LEU cc_start: 0.8695 (tp) cc_final: 0.8475 (tp) REVERT: AK 152 LEU cc_start: 0.8964 (mt) cc_final: 0.8539 (mt) REVERT: AK 176 LEU cc_start: 0.8816 (mt) cc_final: 0.8578 (mm) REVERT: AK 193 ILE cc_start: 0.6549 (mp) cc_final: 0.6303 (mp) REVERT: AL 17 ASP cc_start: 0.7938 (m-30) cc_final: 0.7343 (m-30) REVERT: AL 18 LEU cc_start: 0.8684 (mt) cc_final: 0.7574 (mm) REVERT: AL 35 ASP cc_start: 0.8527 (m-30) cc_final: 0.7344 (m-30) REVERT: AL 37 GLN cc_start: 0.8336 (mm-40) cc_final: 0.7718 (mm110) REVERT: AL 122 LEU cc_start: 0.8332 (tp) cc_final: 0.7893 (tp) REVERT: AL 133 LYS cc_start: 0.8824 (ttmt) cc_final: 0.8287 (ttmt) REVERT: AL 135 LYS cc_start: 0.8348 (tppp) cc_final: 0.7699 (tppp) REVERT: AL 139 LEU cc_start: 0.8437 (mt) cc_final: 0.8052 (mt) REVERT: AL 171 MET cc_start: 0.6378 (tpt) cc_final: 0.5973 (tpt) REVERT: AM 19 VAL cc_start: 0.8598 (t) cc_final: 0.8387 (t) REVERT: AM 107 GLN cc_start: 0.7857 (tp40) cc_final: 0.7379 (tp-100) REVERT: AM 110 GLN cc_start: 0.7244 (tm-30) cc_final: 0.5851 (tm-30) REVERT: AM 149 ASN cc_start: 0.7663 (m-40) cc_final: 0.6503 (m110) REVERT: AM 176 LEU cc_start: 0.8020 (mt) cc_final: 0.7534 (mt) REVERT: AN 27 LYS cc_start: 0.7570 (mtpt) cc_final: 0.7173 (mttm) REVERT: AO 3 LEU cc_start: 0.7652 (tp) cc_final: 0.7279 (pt) REVERT: AO 40 LEU cc_start: 0.7919 (tp) cc_final: 0.7357 (tp) REVERT: AO 51 ILE cc_start: 0.9120 (OUTLIER) cc_final: 0.8767 (pt) REVERT: AO 114 MET cc_start: 0.6721 (ttt) cc_final: 0.6145 (ttt) REVERT: AO 169 GLU cc_start: 0.5516 (mt-10) cc_final: 0.4954 (mt-10) REVERT: AO 171 MET cc_start: 0.6414 (tmm) cc_final: 0.5468 (tmm) REVERT: AP 4 PHE cc_start: 0.6051 (t80) cc_final: 0.5681 (t80) REVERT: AP 11 VAL cc_start: 0.8570 (t) cc_final: 0.8075 (p) REVERT: AP 16 ASN cc_start: 0.8629 (m110) cc_final: 0.8293 (m-40) REVERT: AP 29 LEU cc_start: 0.8850 (tp) cc_final: 0.8441 (tp) REVERT: AP 34 ILE cc_start: 0.8673 (pt) cc_final: 0.8074 (pt) REVERT: AP 51 ILE cc_start: 0.8274 (mt) cc_final: 0.7898 (mm) REVERT: AP 136 LYS cc_start: 0.8330 (tmmt) cc_final: 0.7807 (ttpp) REVERT: AP 138 MET cc_start: 0.6895 (ppp) cc_final: 0.6644 (ppp) REVERT: AQ 108 LEU cc_start: 0.8525 (tp) cc_final: 0.8215 (tp) REVERT: AQ 134 THR cc_start: 0.9096 (m) cc_final: 0.8858 (p) REVERT: AR 16 ASN cc_start: 0.7683 (m-40) cc_final: 0.7330 (m110) REVERT: AR 17 ASP cc_start: 0.7754 (m-30) cc_final: 0.7033 (m-30) REVERT: AR 35 ASP cc_start: 0.8179 (m-30) cc_final: 0.6833 (m-30) REVERT: AR 37 GLN cc_start: 0.7417 (mm110) cc_final: 0.7043 (mm-40) REVERT: AR 47 VAL cc_start: 0.9385 (t) cc_final: 0.8992 (t) REVERT: AR 64 ASP cc_start: 0.7416 (t0) cc_final: 0.6314 (t0) REVERT: AR 135 LYS cc_start: 0.8414 (tppp) cc_final: 0.7912 (tppp) REVERT: AR 136 LYS cc_start: 0.8571 (ttpp) cc_final: 0.8222 (tttp) REVERT: AR 139 LEU cc_start: 0.8207 (mt) cc_final: 0.7454 (mt) REVERT: AR 171 MET cc_start: 0.5958 (tpt) cc_final: 0.5489 (tpt) REVERT: AR 196 GLN cc_start: 0.7846 (mp-120) cc_final: 0.7136 (mp10) REVERT: AR 206 VAL cc_start: 0.7407 (p) cc_final: 0.6506 (m) REVERT: AS 19 VAL cc_start: 0.8644 (t) cc_final: 0.8359 (t) REVERT: AS 114 MET cc_start: 0.6674 (tpt) cc_final: 0.6424 (tpp) REVERT: AS 115 SER cc_start: 0.8600 (m) cc_final: 0.8330 (p) REVERT: AS 149 ASN cc_start: 0.7802 (m-40) cc_final: 0.7047 (m110) REVERT: AS 176 LEU cc_start: 0.8098 (mt) cc_final: 0.7737 (mt) REVERT: AS 208 ASP cc_start: 0.7327 (m-30) cc_final: 0.7062 (m-30) REVERT: AT 64 ASP cc_start: 0.8475 (m-30) cc_final: 0.8164 (t0) REVERT: AT 85 ASN cc_start: 0.6443 (t0) cc_final: 0.5870 (t0) REVERT: AU 40 LEU cc_start: 0.7927 (tp) cc_final: 0.7174 (tp) REVERT: AU 171 MET cc_start: 0.5844 (tmm) cc_final: 0.5316 (tmm) REVERT: AV 11 VAL cc_start: 0.8313 (t) cc_final: 0.7657 (p) REVERT: AV 16 ASN cc_start: 0.8780 (m110) cc_final: 0.8091 (m110) REVERT: AV 33 VAL cc_start: 0.8336 (t) cc_final: 0.7611 (t) REVERT: AV 34 ILE cc_start: 0.8656 (pt) cc_final: 0.7947 (pt) REVERT: AV 51 ILE cc_start: 0.8126 (mt) cc_final: 0.7920 (mm) REVERT: AV 136 LYS cc_start: 0.8282 (tmmt) cc_final: 0.7461 (ttpp) REVERT: AV 138 MET cc_start: 0.6960 (ppp) cc_final: 0.6437 (ppp) REVERT: AV 139 LEU cc_start: 0.8363 (mt) cc_final: 0.7914 (mt) REVERT: AV 171 MET cc_start: 0.8789 (mmm) cc_final: 0.8134 (mmp) outliers start: 46 outliers final: 10 residues processed: 6049 average time/residue: 1.1853 time to fit residues: 12213.0499 Evaluate side-chains 4210 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 14 poor density : 4196 time to evaluate : 11.516 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1764 random chunks: chunk 890 optimal weight: 0.9990 chunk 497 optimal weight: 9.9990 chunk 1333 optimal weight: 9.9990 chunk 1090 optimal weight: 6.9990 chunk 441 optimal weight: 50.0000 chunk 1604 optimal weight: 2.9990 chunk 1733 optimal weight: 9.9990 chunk 1429 optimal weight: 10.0000 chunk 1591 optimal weight: 8.9990 chunk 547 optimal weight: 9.9990 chunk 1287 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: ** D 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 42 GLN D 105 GLN ** D 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 117 ASN ** C 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 196 GLN E 199 GLN ** F 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 111 GLN A 154 GLN ** B 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 153 GLN ** B 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 173 ASN ** H 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 37 GLN ** I 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 85 ASN ** I 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 121 ASN K 16 ASN ** K 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 111 GLN ** K 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 154 GLN ** L 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 121 ASN L 153 GLN ** L 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 105 GLN ** N 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 117 ASN O 37 GLN ** O 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 196 GLN O 199 GLN P 66 GLN ** P 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 121 ASN Q 16 ASN Q 37 GLN ** Q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 111 GLN Q 154 GLN ** R 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 153 GLN ** R 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 105 GLN S 173 ASN ** T 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 117 ASN U 37 GLN ** U 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 196 GLN U 199 GLN ** V 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 16 ASN W 37 GLN W 111 GLN W 154 GLN ** X 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 121 ASN X 153 GLN ** X 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 173 ASN ** Z 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 117 ASN ** 0 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 196 GLN 0 199 GLN ** 1 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 16 ASN 2 37 GLN ** 2 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 154 GLN 2 173 ASN ** 3 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 153 GLN ** 3 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 173 ASN ** 4 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 117 ASN ** 5 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 37 GLN ** 6 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 62 ASN ** 7 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 16 ASN 8 37 GLN 8 111 GLN ** 8 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 154 GLN 8 173 ASN ** 9 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 153 GLN ** 9 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 42 GLN ** a 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 137 ASN ** b 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 117 ASN ** b 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 85 ASN ** c 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 196 GLN c 199 GLN ** d 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 16 ASN e 111 GLN ** e 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 154 GLN ** f 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 153 GLN ** f 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 42 GLN g 105 GLN ** g 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 117 ASN ** h 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 196 GLN i 199 GLN ** j 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 111 GLN k 154 GLN ** l 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 153 GLN ** l 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 37 GLN ** o 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 85 ASN ** o 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 173 ASN ** o 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 121 ASN ** p 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 16 ASN ** q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 111 GLN ** q 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 154 GLN ** r 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 121 ASN r 153 GLN ** r 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 105 GLN ** t 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 37 GLN u 196 GLN u 199 GLN v 66 GLN ** v 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 121 ASN w 16 ASN w 37 GLN ** w 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 111 GLN w 154 GLN ** x 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 153 GLN ** x 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 105 GLN y 173 ASN ** z 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 196 GLN AA 199 GLN ** AB 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 16 ASN AC 37 GLN AC 111 GLN AC 154 GLN ** AD 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 121 ASN AD 153 GLN ** AD 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 173 ASN ** AF 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AF 117 ASN ** AG 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 196 GLN AG 199 GLN ** AH 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AH 137 ASN AI 16 ASN AI 37 GLN ** AI 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 154 GLN AI 173 ASN ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 153 GLN ** AJ 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AL 117 ASN ** AL 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AM 37 GLN ** AM 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AN 62 ASN ** AN 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 16 ASN AO 111 GLN ** AO 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 154 GLN AO 173 ASN ** AP 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AP 153 GLN ** AP 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 42 GLN ** AQ 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 137 ASN ** AR 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 117 ASN ** AR 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 85 ASN AS 111 GLN ** AS 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 196 GLN AS 199 GLN ** AT 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AT 66 GLN ** AT 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AU 16 ASN AU 154 GLN ** AV 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 153 GLN ** AV 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 137 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6491 moved from start: 0.7993 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.068 139006 Z= 0.281 Angle : 0.738 12.235 186606 Z= 0.402 Chirality : 0.037 0.169 21644 Planarity : 0.005 0.099 24962 Dihedral : 7.320 179.405 19390 Min Nonbonded Distance : 2.070 Molprobity Statistics. All-atom Clashscore : 26.29 Ramachandran Plot: Outliers : 0.15 % Allowed : 1.21 % Favored : 98.64 % Rotamer: Outliers : 0.52 % Allowed : 4.36 % Favored : 95.12 % 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: 2.67 (0.06), residues: 17808 helix: 2.02 (0.04), residues: 16744 sheet: None (None), residues: 0 loop : -2.32 (0.18), residues: 1064 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.020 0.002 TRP m 71 PHE 0.038 0.002 PHEAS 197 TYR 0.034 0.003 TYRAM 104 ARG 0.010 0.001 ARG 6 56 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5452 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 73 poor density : 5379 time to evaluate : 11.657 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: 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clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash 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symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 11 VAL cc_start: 0.9147 (t) cc_final: 0.8672 (p) REVERT: D 14 ASN cc_start: 0.8722 (p0) cc_final: 0.8512 (p0) REVERT: D 64 ASP cc_start: 0.8427 (p0) cc_final: 0.7769 (p0) REVERT: D 139 LEU cc_start: 0.7627 (tp) cc_final: 0.7295 (tp) REVERT: D 152 LEU cc_start: 0.8514 (mt) cc_final: 0.8292 (mt) REVERT: D 171 MET cc_start: 0.8838 (mmp) cc_final: 0.8555 (mmp) REVERT: D 187 GLU cc_start: 0.6471 (pp20) cc_final: 0.6053 (tm-30) REVERT: C 11 VAL cc_start: 0.9339 (t) cc_final: 0.9058 (p) REVERT: C 139 LEU cc_start: 0.8736 (mt) cc_final: 0.7698 (mt) REVERT: C 149 ASN cc_start: 0.8399 (m-40) cc_final: 0.7738 (m110) REVERT: E 57 THR cc_start: 0.9087 (p) cc_final: 0.8668 (p) REVERT: E 171 MET cc_start: 0.8022 (mmp) cc_final: 0.7822 (mmm) REVERT: E 208 ASP cc_start: 0.7671 (m-30) cc_final: 0.7366 (m-30) REVERT: A 40 LEU cc_start: 0.7626 (tp) cc_final: 0.7371 (tp) REVERT: A 117 ASN cc_start: 0.7026 (m110) cc_final: 0.6813 (m110) REVERT: A 193 ILE cc_start: 0.9135 (pt) cc_final: 0.8909 (pt) REVERT: B 19 VAL cc_start: 0.9476 (p) cc_final: 0.9210 (p) REVERT: B 35 ASP cc_start: 0.7782 (t0) cc_final: 0.6119 (t0) REVERT: B 133 LYS cc_start: 0.8074 (ttmm) cc_final: 0.7507 (ttmm) REVERT: B 136 LYS cc_start: 0.8701 (tmmt) cc_final: 0.7949 (ttpp) REVERT: B 139 LEU cc_start: 0.8421 (mt) cc_final: 0.7796 (mt) REVERT: B 149 ASN cc_start: 0.9097 (t0) cc_final: 0.8888 (t0) REVERT: B 188 LEU cc_start: 0.8820 (tp) cc_final: 0.8183 (tt) REVERT: G 33 VAL cc_start: 0.8607 (t) cc_final: 0.8267 (t) REVERT: G 34 ILE cc_start: 0.9153 (mt) cc_final: 0.8749 (mt) REVERT: G 58 GLU cc_start: 0.8384 (OUTLIER) cc_final: 0.8157 (pm20) REVERT: G 104 TYR cc_start: 0.6422 (m-80) cc_final: 0.5931 (m-80) REVERT: G 171 MET cc_start: 0.8980 (mmp) cc_final: 0.8560 (mmp) REVERT: G 193 ILE cc_start: 0.8445 (mp) cc_final: 0.8207 (mp) REVERT: H 135 LYS cc_start: 0.7781 (tppp) cc_final: 0.7268 (tppp) REVERT: H 139 LEU cc_start: 0.8409 (mt) cc_final: 0.7307 (mt) REVERT: I 35 ASP cc_start: 0.7713 (m-30) cc_final: 0.6892 (m-30) REVERT: I 59 GLN cc_start: 0.7706 (mp10) cc_final: 0.7086 (mp10) REVERT: I 64 ASP cc_start: 0.6992 (t0) cc_final: 0.6286 (t0) REVERT: I 115 SER cc_start: 0.8442 (m) cc_final: 0.7811 (p) REVERT: I 128 LYS cc_start: 0.8407 (ptpp) cc_final: 0.8079 (pttm) REVERT: I 134 THR cc_start: 0.7354 (p) cc_final: 0.6696 (p) REVERT: I 176 LEU cc_start: 0.8649 (mt) cc_final: 0.8380 (mt) REVERT: I 183 GLN cc_start: 0.8526 (pt0) cc_final: 0.8215 (pt0) REVERT: I 214 LYS cc_start: 0.7526 (pptt) cc_final: 0.7256 (tttm) REVERT: J 33 VAL cc_start: 0.7894 (m) cc_final: 0.7691 (m) REVERT: J 36 MET cc_start: 0.6938 (ptm) cc_final: 0.6640 (ptm) REVERT: J 45 GLN cc_start: 0.8901 (pt0) cc_final: 0.8671 (pt0) REVERT: J 50 THR cc_start: 0.8176 (t) cc_final: 0.7875 (p) REVERT: K 114 MET cc_start: 0.7443 (ttt) cc_final: 0.6893 (ttt) REVERT: K 116 GLU cc_start: 0.7324 (pt0) cc_final: 0.7093 (pt0) REVERT: L 19 VAL cc_start: 0.9414 (p) cc_final: 0.9097 (p) REVERT: L 34 ILE cc_start: 0.8592 (pt) cc_final: 0.8273 (pt) REVERT: L 35 ASP cc_start: 0.6839 (t0) cc_final: 0.6501 (t0) REVERT: L 116 GLU cc_start: 0.7239 (pt0) cc_final: 0.5569 (pt0) REVERT: L 136 LYS cc_start: 0.8947 (tmmt) cc_final: 0.8413 (ttpp) REVERT: L 147 LYS cc_start: 0.8182 (ptpp) cc_final: 0.7959 (pttm) REVERT: L 171 MET cc_start: 0.8453 (mmp) cc_final: 0.7603 (mmp) REVERT: L 188 LEU cc_start: 0.8985 (mt) cc_final: 0.8638 (tp) REVERT: M 33 VAL cc_start: 0.8288 (t) cc_final: 0.8017 (t) REVERT: M 34 ILE cc_start: 0.9094 (mt) cc_final: 0.8723 (mt) REVERT: M 58 GLU cc_start: 0.8222 (OUTLIER) cc_final: 0.7932 (pm20) REVERT: M 139 LEU cc_start: 0.7965 (tp) cc_final: 0.7686 (tp) REVERT: N 40 LEU cc_start: 0.8726 (tp) cc_final: 0.8463 (tp) REVERT: N 118 LEU cc_start: 0.9011 (mt) cc_final: 0.8546 (mt) REVERT: N 135 LYS cc_start: 0.8005 (tppp) cc_final: 0.7781 (tppp) REVERT: N 139 LEU cc_start: 0.8647 (mt) cc_final: 0.7988 (mt) REVERT: O 57 THR cc_start: 0.8743 (p) cc_final: 0.7832 (p) REVERT: O 115 SER cc_start: 0.8828 (m) cc_final: 0.8513 (p) REVERT: O 117 ASN cc_start: 0.6725 (t0) cc_final: 0.6482 (t0) REVERT: O 149 ASN cc_start: 0.7736 (m-40) cc_final: 0.7172 (m110) REVERT: Q 34 ILE cc_start: 0.8866 (mt) cc_final: 0.8599 (mt) REVERT: Q 114 MET cc_start: 0.7465 (ttt) cc_final: 0.7203 (ttt) REVERT: Q 117 ASN cc_start: 0.7052 (m110) cc_final: 0.6594 (m110) REVERT: Q 137 ASN cc_start: 0.7897 (p0) cc_final: 0.7419 (p0) REVERT: R 3 LEU cc_start: 0.8081 (pp) cc_final: 0.7794 (pt) REVERT: R 35 ASP cc_start: 0.6929 (t0) cc_final: 0.6620 (t0) REVERT: R 42 GLN cc_start: 0.8123 (mp-120) cc_final: 0.7913 (mp-120) REVERT: R 49 ARG cc_start: 0.6895 (tpp-160) cc_final: 0.6521 (tpp80) REVERT: R 116 GLU cc_start: 0.7091 (pt0) cc_final: 0.5509 (pt0) REVERT: R 136 LYS cc_start: 0.8391 (tmmt) cc_final: 0.7989 (ttpp) REVERT: R 138 MET cc_start: 0.7380 (ppp) cc_final: 0.6925 (ppp) REVERT: R 171 MET cc_start: 0.9014 (mmp) cc_final: 0.8480 (mmp) REVERT: R 188 LEU cc_start: 0.9081 (mt) cc_final: 0.8743 (mt) REVERT: S 26 GLU cc_start: 0.6157 (mm-30) cc_final: 0.5878 (mm-30) REVERT: S 33 VAL cc_start: 0.8273 (t) cc_final: 0.7406 (t) REVERT: S 139 LEU cc_start: 0.7749 (tp) cc_final: 0.7232 (tp) REVERT: S 171 MET cc_start: 0.9147 (mmp) cc_final: 0.8184 (mmp) REVERT: S 187 GLU cc_start: 0.6225 (pp20) cc_final: 0.5746 (tm-30) REVERT: T 16 ASN cc_start: 0.7644 (m-40) cc_final: 0.7361 (t0) REVERT: T 18 LEU cc_start: 0.8881 (mm) cc_final: 0.7819 (mm) REVERT: T 40 LEU cc_start: 0.9091 (tp) cc_final: 0.8648 (tp) REVERT: T 135 LYS cc_start: 0.7943 (tppp) cc_final: 0.7507 (tppp) REVERT: T 139 LEU cc_start: 0.8043 (mt) cc_final: 0.7168 (mt) REVERT: T 176 LEU cc_start: 0.8600 (mt) cc_final: 0.7965 (mt) REVERT: U 34 ILE cc_start: 0.8748 (OUTLIER) cc_final: 0.8513 (mp) REVERT: U 57 THR cc_start: 0.9039 (p) cc_final: 0.8276 (p) REVERT: U 171 MET cc_start: 0.7684 (mmp) cc_final: 0.7289 (mmm) REVERT: V 26 GLU cc_start: 0.5102 (pm20) cc_final: 0.4045 (pm20) REVERT: V 54 GLU cc_start: 0.7794 (mp0) cc_final: 0.7391 (mm-30) REVERT: W 20 SER cc_start: 0.8297 (p) cc_final: 0.8002 (p) REVERT: W 114 MET cc_start: 0.7795 (ttt) cc_final: 0.7516 (ttt) REVERT: W 117 ASN cc_start: 0.6467 (m110) cc_final: 0.6091 (m110) REVERT: W 137 ASN cc_start: 0.8189 (p0) cc_final: 0.7841 (p0) REVERT: W 152 LEU cc_start: 0.7780 (pp) cc_final: 0.7572 (pp) REVERT: W 171 MET cc_start: 0.6614 (tmm) cc_final: 0.5396 (tmm) REVERT: X 11 VAL cc_start: 0.8968 (t) cc_final: 0.8483 (p) REVERT: X 29 LEU cc_start: 0.8911 (tp) cc_final: 0.8413 (tp) REVERT: X 35 ASP cc_start: 0.7533 (t0) cc_final: 0.6431 (t0) REVERT: X 49 ARG cc_start: 0.7274 (tpp-160) cc_final: 0.6935 (mmp80) REVERT: X 51 ILE cc_start: 0.8206 (mm) cc_final: 0.7843 (mm) REVERT: X 116 GLU cc_start: 0.7364 (pt0) cc_final: 0.5252 (pt0) REVERT: X 136 LYS cc_start: 0.8788 (tmmt) cc_final: 0.8153 (tmmt) REVERT: X 137 ASN cc_start: 0.7703 (m-40) cc_final: 0.6881 (m-40) REVERT: X 139 LEU cc_start: 0.8721 (mt) cc_final: 0.8403 (mt) REVERT: X 147 LYS cc_start: 0.8905 (pttm) cc_final: 0.8630 (pttp) REVERT: X 149 ASN cc_start: 0.8918 (t0) cc_final: 0.7940 (t0) REVERT: X 171 MET cc_start: 0.8355 (mmp) cc_final: 0.7966 (mmp) REVERT: X 173 ASN cc_start: 0.6894 (m-40) cc_final: 0.6479 (m-40) REVERT: X 193 ILE cc_start: 0.6707 (mp) cc_final: 0.6458 (mp) REVERT: Y 17 ASP cc_start: 0.7701 (m-30) cc_final: 0.7212 (m-30) REVERT: Y 33 VAL cc_start: 0.8308 (t) cc_final: 0.7974 (t) REVERT: Y 34 ILE cc_start: 0.9220 (mt) cc_final: 0.8725 (mt) REVERT: Y 117 ASN cc_start: 0.7102 (t0) cc_final: 0.6734 (t0) REVERT: Y 139 LEU cc_start: 0.8039 (tp) cc_final: 0.7655 (tp) REVERT: Z 18 LEU cc_start: 0.8805 (mt) cc_final: 0.8529 (mt) REVERT: Z 40 LEU cc_start: 0.8777 (tp) cc_final: 0.8468 (tp) REVERT: Z 147 LYS cc_start: 0.8490 (ptpp) cc_final: 0.7954 (pttm) REVERT: Z 176 LEU cc_start: 0.8804 (mt) cc_final: 0.8217 (mt) REVERT: Z 179 GLU cc_start: 0.8239 (pt0) cc_final: 0.7994 (pt0) REVERT: 0 35 ASP cc_start: 0.7925 (m-30) cc_final: 0.7150 (m-30) REVERT: 0 64 ASP cc_start: 0.7345 (t0) cc_final: 0.6429 (t0) REVERT: 0 149 ASN cc_start: 0.7786 (m-40) cc_final: 0.7333 (m110) REVERT: 0 183 GLN cc_start: 0.8184 (pt0) cc_final: 0.7979 (pt0) REVERT: 1 26 GLU cc_start: 0.6029 (pm20) cc_final: 0.4876 (pm20) REVERT: 1 64 ASP cc_start: 0.7395 (t0) cc_final: 0.7180 (t0) REVERT: 1 67 GLU cc_start: 0.7133 (mp0) cc_final: 0.6780 (mp0) REVERT: 1 125 LEU cc_start: 0.7272 (tp) cc_final: 0.6852 (tp) REVERT: 3 19 VAL cc_start: 0.9540 (p) cc_final: 0.9295 (p) REVERT: 3 29 LEU cc_start: 0.8860 (tp) cc_final: 0.8552 (tp) REVERT: 3 34 ILE cc_start: 0.8657 (pt) cc_final: 0.8455 (pt) REVERT: 3 42 GLN cc_start: 0.8740 (mp-120) cc_final: 0.8371 (mp10) REVERT: 3 43 LEU cc_start: 0.7642 (OUTLIER) cc_final: 0.7410 (tp) REVERT: 3 99 ASP cc_start: 0.8463 (m-30) cc_final: 0.8178 (p0) REVERT: 3 114 MET cc_start: 0.5739 (ptp) cc_final: 0.5203 (ptp) REVERT: 3 116 GLU cc_start: 0.7481 (pt0) cc_final: 0.5979 (pt0) REVERT: 3 136 LYS cc_start: 0.8717 (tmmt) cc_final: 0.7651 (ttpp) REVERT: 3 138 MET cc_start: 0.7420 (ppp) cc_final: 0.6822 (ppp) REVERT: 3 139 LEU cc_start: 0.8738 (mt) cc_final: 0.8222 (mt) REVERT: 3 149 ASN cc_start: 0.9163 (t0) cc_final: 0.8779 (t0) REVERT: 3 171 MET cc_start: 0.9133 (mmm) cc_final: 0.7011 (mmp) REVERT: 4 33 VAL cc_start: 0.8354 (t) cc_final: 0.7858 (t) REVERT: 4 34 ILE cc_start: 0.9249 (mt) cc_final: 0.8887 (mt) REVERT: 4 49 ARG cc_start: 0.7429 (mtm180) cc_final: 0.6866 (ttm110) REVERT: 4 64 ASP cc_start: 0.8483 (p0) cc_final: 0.7598 (p0) REVERT: 4 122 LEU cc_start: 0.8745 (tp) cc_final: 0.8023 (tp) REVERT: 4 171 MET cc_start: 0.9028 (mmp) cc_final: 0.8050 (mmm) REVERT: 5 18 LEU cc_start: 0.8850 (mt) cc_final: 0.8467 (mm) REVERT: 5 44 ARG cc_start: 0.7274 (mtp-110) cc_final: 0.6979 (mtp-110) REVERT: 5 149 ASN cc_start: 0.8045 (m-40) cc_final: 0.7563 (m110) REVERT: 6 34 ILE cc_start: 0.8903 (OUTLIER) cc_final: 0.8638 (mp) REVERT: 6 176 LEU cc_start: 0.8522 (mt) cc_final: 0.8313 (mt) REVERT: 6 214 LYS cc_start: 0.8043 (pptt) cc_final: 0.7479 (ttmm) REVERT: 7 36 MET cc_start: 0.6654 (ptm) cc_final: 0.6283 (ptm) REVERT: 7 171 MET cc_start: 0.7901 (ptp) cc_final: 0.7695 (ptt) REVERT: 8 43 LEU cc_start: 0.8151 (tt) cc_final: 0.7890 (tp) REVERT: 8 137 ASN cc_start: 0.8329 (p0) cc_final: 0.8097 (p0) REVERT: 8 171 MET cc_start: 0.6550 (tmm) cc_final: 0.6275 (tmm) REVERT: 9 27 LYS cc_start: 0.8866 (ptmm) cc_final: 0.8642 (ptmt) REVERT: 9 29 LEU cc_start: 0.9013 (tp) cc_final: 0.8632 (tp) REVERT: 9 33 VAL cc_start: 0.8629 (t) cc_final: 0.8056 (t) REVERT: 9 34 ILE cc_start: 0.8740 (pt) cc_final: 0.8361 (pt) REVERT: 9 49 ARG cc_start: 0.6399 (tpp-160) cc_final: 0.5890 (tpp80) REVERT: 9 51 ILE cc_start: 0.8477 (mm) cc_final: 0.7815 (mm) REVERT: 9 133 LYS cc_start: 0.8232 (tttm) cc_final: 0.7921 (tttm) REVERT: 9 136 LYS cc_start: 0.8822 (tmmt) cc_final: 0.8018 (tmmt) REVERT: 9 137 ASN cc_start: 0.7978 (m-40) cc_final: 0.7315 (m-40) REVERT: 9 138 MET cc_start: 0.7242 (ppp) cc_final: 0.7027 (ppp) REVERT: 9 149 ASN cc_start: 0.9015 (t0) cc_final: 0.8645 (t0) REVERT: 9 171 MET cc_start: 0.9008 (OUTLIER) cc_final: 0.7454 (mmp) REVERT: 9 188 LEU cc_start: 0.8859 (mt) cc_final: 0.8627 (mt) REVERT: a 33 VAL cc_start: 0.8421 (t) cc_final: 0.7942 (t) REVERT: a 34 ILE cc_start: 0.9060 (mt) cc_final: 0.8727 (mt) REVERT: a 174 LYS cc_start: 0.8811 (ptpt) cc_final: 0.8394 (ptpt) REVERT: b 37 GLN cc_start: 0.7623 (mm110) cc_final: 0.7351 (mm-40) REVERT: b 40 LEU cc_start: 0.8763 (tp) cc_final: 0.8540 (tp) REVERT: b 41 VAL cc_start: 0.8933 (p) cc_final: 0.8616 (p) REVERT: b 118 LEU cc_start: 0.8739 (mt) cc_final: 0.8380 (mt) REVERT: b 149 ASN cc_start: 0.8112 (m-40) cc_final: 0.7602 (m110) REVERT: b 206 VAL cc_start: 0.7020 (p) cc_final: 0.6550 (m) REVERT: c 34 ILE cc_start: 0.8483 (mm) cc_final: 0.8043 (mm) REVERT: c 35 ASP cc_start: 0.7425 (m-30) cc_final: 0.7141 (m-30) REVERT: c 66 GLN cc_start: 0.8031 (mp10) cc_final: 0.7722 (mp10) REVERT: c 134 THR cc_start: 0.6887 (p) cc_final: 0.6463 (p) REVERT: c 208 ASP cc_start: 0.7786 (m-30) cc_final: 0.7584 (m-30) REVERT: c 214 LYS cc_start: 0.7839 (pptt) cc_final: 0.7337 (tttm) REVERT: d 125 LEU cc_start: 0.7170 (tp) cc_final: 0.6562 (tp) REVERT: d 138 MET cc_start: 0.6105 (mtm) cc_final: 0.5833 (ptp) REVERT: e 35 ASP cc_start: 0.8767 (m-30) cc_final: 0.8320 (m-30) REVERT: e 104 TYR cc_start: 0.5884 (m-80) cc_final: 0.5667 (m-80) REVERT: e 114 MET cc_start: 0.7930 (ttt) cc_final: 0.7675 (ttt) REVERT: e 137 ASN cc_start: 0.8171 (p0) cc_final: 0.7948 (p0) REVERT: f 11 VAL cc_start: 0.8901 (t) cc_final: 0.8282 (p) REVERT: f 33 VAL cc_start: 0.8588 (t) cc_final: 0.8075 (t) REVERT: f 42 GLN cc_start: 0.8433 (mp-120) cc_final: 0.7741 (mp-120) REVERT: f 114 MET cc_start: 0.6420 (ptp) cc_final: 0.5662 (ptp) REVERT: f 133 LYS cc_start: 0.7858 (ttmm) cc_final: 0.7420 (ttmm) REVERT: f 136 LYS cc_start: 0.8504 (tmmt) cc_final: 0.8014 (ttpp) REVERT: f 138 MET cc_start: 0.7480 (ppp) cc_final: 0.7046 (ppp) REVERT: f 149 ASN cc_start: 0.9020 (t0) cc_final: 0.8051 (t0) REVERT: f 171 MET cc_start: 0.9185 (OUTLIER) cc_final: 0.7806 (mmp) REVERT: f 173 ASN cc_start: 0.7084 (m-40) cc_final: 0.6805 (m-40) REVERT: f 188 LEU cc_start: 0.8947 (mt) cc_final: 0.8525 (mt) REVERT: g 11 VAL cc_start: 0.9102 (t) cc_final: 0.8632 (p) REVERT: g 14 ASN cc_start: 0.8814 (p0) cc_final: 0.8436 (p0) REVERT: g 34 ILE cc_start: 0.9198 (mt) cc_final: 0.8972 (mt) REVERT: g 64 ASP cc_start: 0.8373 (p0) cc_final: 0.7711 (p0) REVERT: g 171 MET cc_start: 0.8856 (mmp) cc_final: 0.8601 (mmp) REVERT: g 178 MET cc_start: 0.8556 (mmp) cc_final: 0.8337 (mmm) REVERT: g 187 GLU cc_start: 0.6415 (pp20) cc_final: 0.6030 (tm-30) REVERT: h 11 VAL cc_start: 0.9324 (t) cc_final: 0.9036 (p) REVERT: h 40 LEU cc_start: 0.8987 (tp) cc_final: 0.8782 (tp) REVERT: h 149 ASN cc_start: 0.8327 (m-40) cc_final: 0.7658 (m110) REVERT: i 35 ASP cc_start: 0.7984 (m-30) cc_final: 0.7057 (m-30) REVERT: i 57 THR cc_start: 0.9097 (p) cc_final: 0.8636 (p) REVERT: i 208 ASP cc_start: 0.7694 (m-30) cc_final: 0.7409 (m-30) REVERT: j 50 THR cc_start: 0.8244 (t) cc_final: 0.7920 (p) REVERT: k 114 MET cc_start: 0.7375 (ttt) cc_final: 0.7063 (ttt) REVERT: k 137 ASN cc_start: 0.8275 (p0) cc_final: 0.7861 (p0) REVERT: l 29 LEU cc_start: 0.8707 (tp) cc_final: 0.8505 (tp) REVERT: l 33 VAL cc_start: 0.8512 (t) cc_final: 0.8088 (t) REVERT: l 35 ASP cc_start: 0.7704 (t0) cc_final: 0.6955 (t0) REVERT: l 133 LYS cc_start: 0.8058 (ttmm) cc_final: 0.7809 (ttmm) REVERT: l 136 LYS cc_start: 0.8795 (tmmt) cc_final: 0.7871 (ttpp) REVERT: l 138 MET cc_start: 0.7356 (ppp) cc_final: 0.6872 (ppp) REVERT: l 139 LEU cc_start: 0.8389 (mt) cc_final: 0.7949 (mt) REVERT: l 147 LYS cc_start: 0.8844 (pttm) cc_final: 0.8607 (pttm) REVERT: l 149 ASN cc_start: 0.9123 (t0) cc_final: 0.8871 (t0) REVERT: l 171 MET cc_start: 0.9118 (mmm) cc_final: 0.8420 (mmp) REVERT: l 188 LEU cc_start: 0.9000 (mt) cc_final: 0.8691 (mt) REVERT: m 11 VAL cc_start: 0.8988 (t) cc_final: 0.8779 (t) REVERT: m 33 VAL cc_start: 0.8592 (t) cc_final: 0.8225 (t) REVERT: m 34 ILE cc_start: 0.9142 (mt) cc_final: 0.8632 (mt) REVERT: m 104 TYR cc_start: 0.6469 (m-80) cc_final: 0.5895 (m-80) REVERT: m 114 MET cc_start: 0.6563 (tpp) cc_final: 0.6356 (tpp) REVERT: m 171 MET cc_start: 0.9021 (mmp) cc_final: 0.8512 (mmp) REVERT: m 181 THR cc_start: 0.9416 (p) cc_final: 0.9210 (p) REVERT: n 16 ASN cc_start: 0.8083 (m-40) cc_final: 0.7561 (t0) REVERT: n 58 GLU cc_start: 0.8359 (OUTLIER) cc_final: 0.8057 (pp20) REVERT: n 135 LYS cc_start: 0.7809 (tppp) cc_final: 0.7279 (tppp) REVERT: n 139 LEU cc_start: 0.8411 (mt) cc_final: 0.7331 (mt) REVERT: o 35 ASP cc_start: 0.7637 (m-30) cc_final: 0.6876 (m-30) REVERT: o 59 GLN cc_start: 0.7661 (mp10) cc_final: 0.7061 (mp10) REVERT: o 64 ASP cc_start: 0.6941 (t0) cc_final: 0.6198 (t0) REVERT: o 115 SER cc_start: 0.8446 (m) cc_final: 0.7773 (p) REVERT: o 128 LYS cc_start: 0.8393 (ptpp) cc_final: 0.8098 (pttm) REVERT: o 134 THR cc_start: 0.7387 (p) cc_final: 0.6717 (p) REVERT: o 149 ASN cc_start: 0.7762 (m-40) cc_final: 0.7215 (m110) REVERT: o 176 LEU cc_start: 0.8648 (mt) cc_final: 0.8400 (mt) REVERT: o 214 LYS cc_start: 0.7520 (pptt) cc_final: 0.7240 (tttm) REVERT: p 36 MET cc_start: 0.6816 (ptm) cc_final: 0.6200 (ptm) REVERT: p 50 THR cc_start: 0.8167 (t) cc_final: 0.7910 (p) REVERT: q 114 MET cc_start: 0.7471 (ttt) cc_final: 0.7075 (ttt) REVERT: r 19 VAL cc_start: 0.9419 (p) cc_final: 0.9025 (p) REVERT: r 29 LEU cc_start: 0.8895 (tp) cc_final: 0.8674 (tp) REVERT: r 30 GLU cc_start: 0.6543 (pt0) cc_final: 0.6285 (pt0) REVERT: r 34 ILE cc_start: 0.8661 (pt) cc_final: 0.8163 (pt) REVERT: r 35 ASP cc_start: 0.6733 (t0) cc_final: 0.6415 (t0) REVERT: r 49 ARG cc_start: 0.6963 (tpp-160) cc_final: 0.6734 (tpp-160) REVERT: r 116 GLU cc_start: 0.7168 (pt0) cc_final: 0.6454 (pt0) REVERT: r 136 LYS cc_start: 0.8944 (tmmt) cc_final: 0.8362 (ttpp) REVERT: r 188 LEU cc_start: 0.9001 (mt) cc_final: 0.8690 (mt) REVERT: s 33 VAL cc_start: 0.8321 (t) cc_final: 0.8011 (t) REVERT: s 34 ILE cc_start: 0.9116 (mt) cc_final: 0.8710 (mt) REVERT: s 58 GLU cc_start: 0.8189 (OUTLIER) cc_final: 0.7912 (pm20) REVERT: s 139 LEU cc_start: 0.7996 (tp) cc_final: 0.7743 (tp) REVERT: s 171 MET cc_start: 0.9017 (mmp) cc_final: 0.8809 (mmp) REVERT: t 41 VAL cc_start: 0.8485 (p) cc_final: 0.8212 (p) REVERT: t 55 LYS cc_start: 0.9064 (mtmt) cc_final: 0.8690 (mtpt) REVERT: t 118 LEU cc_start: 0.8859 (mt) cc_final: 0.8447 (mt) REVERT: t 135 LYS cc_start: 0.7928 (tppp) cc_final: 0.7699 (tppp) REVERT: t 139 LEU cc_start: 0.8676 (mt) cc_final: 0.7910 (mt) REVERT: u 57 THR cc_start: 0.8711 (p) cc_final: 0.7806 (p) REVERT: u 115 SER cc_start: 0.8770 (m) cc_final: 0.8428 (p) REVERT: u 117 ASN cc_start: 0.6658 (t0) cc_final: 0.6428 (t0) REVERT: u 149 ASN cc_start: 0.7788 (m-40) cc_final: 0.7123 (m110) REVERT: w 34 ILE cc_start: 0.8868 (mt) cc_final: 0.8583 (mt) REVERT: w 114 MET cc_start: 0.7456 (ttt) cc_final: 0.7190 (ttt) REVERT: w 117 ASN cc_start: 0.7021 (m110) cc_final: 0.6557 (m110) REVERT: w 137 ASN cc_start: 0.7894 (p0) cc_final: 0.7394 (p0) REVERT: x 3 LEU cc_start: 0.8094 (pp) cc_final: 0.7823 (pt) REVERT: x 19 VAL cc_start: 0.9375 (p) cc_final: 0.9147 (p) REVERT: x 29 LEU cc_start: 0.8734 (tp) cc_final: 0.8456 (tp) REVERT: x 33 VAL cc_start: 0.8183 (t) cc_final: 0.7975 (t) REVERT: x 35 ASP cc_start: 0.6992 (t0) cc_final: 0.6568 (t0) REVERT: x 42 GLN cc_start: 0.8174 (mp-120) cc_final: 0.7921 (mp-120) REVERT: x 49 ARG cc_start: 0.6867 (tpp-160) cc_final: 0.6490 (tpp80) REVERT: x 116 GLU cc_start: 0.7003 (pt0) cc_final: 0.5492 (pt0) REVERT: x 136 LYS cc_start: 0.8364 (tmmt) cc_final: 0.7918 (ttpp) REVERT: x 138 MET cc_start: 0.7407 (ppp) cc_final: 0.6922 (ppp) REVERT: x 149 ASN cc_start: 0.9176 (t0) cc_final: 0.8953 (t0) REVERT: x 171 MET cc_start: 0.9026 (mmp) cc_final: 0.8492 (mmp) REVERT: x 188 LEU cc_start: 0.9114 (mt) cc_final: 0.8766 (mt) REVERT: y 26 GLU cc_start: 0.6170 (mm-30) cc_final: 0.5921 (mm-30) REVERT: y 33 VAL cc_start: 0.8258 (t) cc_final: 0.7382 (t) REVERT: y 139 LEU cc_start: 0.7711 (tp) cc_final: 0.7191 (tp) REVERT: y 171 MET cc_start: 0.9132 (mmp) cc_final: 0.8155 (mmp) REVERT: y 174 LYS cc_start: 0.8865 (ptpt) cc_final: 0.8651 (ptpt) REVERT: y 187 GLU cc_start: 0.6252 (pp20) cc_final: 0.5787 (tm-30) REVERT: z 16 ASN cc_start: 0.7685 (m-40) cc_final: 0.7301 (t0) REVERT: z 18 LEU cc_start: 0.8860 (mm) cc_final: 0.7771 (mm) REVERT: z 40 LEU cc_start: 0.9032 (tp) cc_final: 0.8655 (tp) REVERT: z 135 LYS cc_start: 0.7865 (tppp) cc_final: 0.7466 (tppp) REVERT: z 139 LEU cc_start: 0.8081 (mt) cc_final: 0.7182 (mt) REVERT: z 176 LEU cc_start: 0.8622 (mt) cc_final: 0.8182 (mm) REVERT: AA 34 ILE cc_start: 0.8748 (OUTLIER) cc_final: 0.8435 (mp) REVERT: AA 57 THR cc_start: 0.9035 (p) cc_final: 0.7968 (p) REVERT: AA 171 MET cc_start: 0.7650 (mmp) cc_final: 0.7278 (mmm) REVERT: AB 26 GLU cc_start: 0.5375 (pm20) cc_final: 0.4341 (pm20) REVERT: AB 54 GLU cc_start: 0.7734 (mp0) cc_final: 0.7362 (mm-30) REVERT: AC 20 SER cc_start: 0.8268 (p) cc_final: 0.7851 (p) REVERT: AC 114 MET cc_start: 0.7841 (ttt) cc_final: 0.7536 (ttt) REVERT: AC 117 ASN cc_start: 0.6529 (m110) cc_final: 0.6109 (m110) REVERT: AC 137 ASN cc_start: 0.8193 (p0) cc_final: 0.7853 (p0) REVERT: AC 152 LEU cc_start: 0.7866 (pp) cc_final: 0.7592 (pp) REVERT: AC 171 MET cc_start: 0.6625 (tmm) cc_final: 0.5352 (tmm) REVERT: AD 11 VAL cc_start: 0.8983 (t) cc_final: 0.8515 (p) REVERT: AD 27 LYS cc_start: 0.9034 (ptmm) cc_final: 0.8668 (ptmt) REVERT: AD 29 LEU cc_start: 0.8935 (tp) cc_final: 0.8413 (tp) REVERT: AD 35 ASP cc_start: 0.7637 (t0) cc_final: 0.6391 (t0) REVERT: AD 49 ARG cc_start: 0.7255 (tpp-160) cc_final: 0.6907 (mmp80) REVERT: AD 51 ILE cc_start: 0.8232 (mm) cc_final: 0.7849 (mm) REVERT: AD 116 GLU cc_start: 0.7337 (pt0) cc_final: 0.5282 (pt0) REVERT: AD 136 LYS cc_start: 0.8760 (tmmt) cc_final: 0.8153 (tmmt) REVERT: AD 137 ASN cc_start: 0.7674 (m-40) cc_final: 0.6912 (m-40) REVERT: AD 139 LEU cc_start: 0.8772 (mt) cc_final: 0.8380 (mt) REVERT: AD 149 ASN cc_start: 0.8933 (t0) cc_final: 0.7901 (t0) REVERT: AD 171 MET cc_start: 0.9057 (mmm) cc_final: 0.8255 (mmp) REVERT: AD 173 ASN cc_start: 0.6906 (m-40) cc_final: 0.6690 (m-40) REVERT: AD 193 ILE cc_start: 0.6706 (mp) cc_final: 0.6496 (mp) REVERT: AE 17 ASP cc_start: 0.7697 (m-30) cc_final: 0.7222 (m-30) REVERT: AE 33 VAL cc_start: 0.8313 (t) cc_final: 0.8021 (t) REVERT: AE 34 ILE cc_start: 0.9207 (mt) cc_final: 0.8738 (mt) REVERT: AE 117 ASN cc_start: 0.7068 (t0) cc_final: 0.6671 (t0) REVERT: AE 139 LEU cc_start: 0.7942 (tp) cc_final: 0.7672 (tp) REVERT: AF 18 LEU cc_start: 0.8808 (mt) cc_final: 0.8558 (mt) REVERT: AF 40 LEU cc_start: 0.8764 (tp) cc_final: 0.8414 (tp) REVERT: AF 147 LYS cc_start: 0.8432 (ptpp) cc_final: 0.7922 (pttm) REVERT: AF 176 LEU cc_start: 0.8795 (mt) cc_final: 0.8234 (mt) REVERT: AG 35 ASP cc_start: 0.7951 (m-30) cc_final: 0.7149 (m-30) REVERT: AG 64 ASP cc_start: 0.7344 (t0) cc_final: 0.6395 (t0) REVERT: AG 149 ASN cc_start: 0.7720 (m-40) cc_final: 0.7278 (m110) REVERT: AG 183 GLN cc_start: 0.8213 (pt0) cc_final: 0.8004 (pt0) REVERT: AH 26 GLU cc_start: 0.6194 (pm20) cc_final: 0.4999 (pm20) REVERT: AH 125 LEU cc_start: 0.7251 (tp) cc_final: 0.6919 (tp) REVERT: AJ 16 ASN cc_start: 0.8011 (m110) cc_final: 0.7767 (m110) REVERT: AJ 19 VAL cc_start: 0.9530 (p) cc_final: 0.9298 (p) REVERT: AJ 29 LEU cc_start: 0.8851 (tp) cc_final: 0.8470 (tp) REVERT: AJ 34 ILE cc_start: 0.8659 (pt) cc_final: 0.8441 (pt) REVERT: AJ 42 GLN cc_start: 0.8674 (mp-120) cc_final: 0.8331 (mp10) REVERT: AJ 43 LEU cc_start: 0.7618 (OUTLIER) cc_final: 0.7359 (tp) REVERT: AJ 99 ASP cc_start: 0.8459 (m-30) cc_final: 0.8156 (p0) REVERT: AJ 114 MET cc_start: 0.5816 (ptp) cc_final: 0.5259 (ptp) REVERT: AJ 116 GLU cc_start: 0.7557 (pt0) cc_final: 0.5982 (pt0) REVERT: AJ 136 LYS cc_start: 0.8681 (tmmt) cc_final: 0.7551 (ttpp) REVERT: AJ 138 MET cc_start: 0.7412 (ppp) cc_final: 0.6807 (ppp) REVERT: AJ 139 LEU cc_start: 0.8799 (mt) cc_final: 0.8324 (mt) REVERT: AJ 149 ASN cc_start: 0.9144 (t0) cc_final: 0.8715 (t0) REVERT: AJ 171 MET cc_start: 0.9109 (mmm) cc_final: 0.6982 (mmp) REVERT: AK 33 VAL cc_start: 0.8375 (t) cc_final: 0.7862 (t) REVERT: AK 34 ILE cc_start: 0.9230 (mt) cc_final: 0.8866 (mt) REVERT: AK 49 ARG cc_start: 0.7439 (mtm180) cc_final: 0.6854 (ttm110) REVERT: AK 64 ASP cc_start: 0.8534 (p0) cc_final: 0.7651 (p0) REVERT: AK 118 LEU cc_start: 0.9037 (mt) cc_final: 0.8815 (mt) REVERT: AK 122 LEU cc_start: 0.8752 (tp) cc_final: 0.8046 (tp) REVERT: AK 171 MET cc_start: 0.9019 (mmp) cc_final: 0.8041 (mmm) REVERT: AL 18 LEU cc_start: 0.8846 (mt) cc_final: 0.8541 (mm) REVERT: AL 55 LYS cc_start: 0.8836 (mtmt) cc_final: 0.8446 (mtpt) REVERT: AL 149 ASN cc_start: 0.8020 (m-40) cc_final: 0.7593 (m110) REVERT: AM 34 ILE cc_start: 0.8909 (OUTLIER) cc_final: 0.8596 (mp) REVERT: AM 57 THR cc_start: 0.8803 (p) cc_final: 0.7665 (p) REVERT: AM 66 GLN cc_start: 0.8167 (mp10) cc_final: 0.7881 (mp10) REVERT: AM 176 LEU cc_start: 0.8497 (mt) cc_final: 0.8211 (mt) REVERT: AM 214 LYS cc_start: 0.8001 (pptt) cc_final: 0.7462 (ttmm) REVERT: AN 55 LYS cc_start: 0.8716 (mppt) cc_final: 0.8446 (mmtm) REVERT: AN 138 MET cc_start: 0.4305 (ptp) cc_final: 0.3670 (ptm) REVERT: AO 43 LEU cc_start: 0.8006 (tt) cc_final: 0.7686 (tp) REVERT: AO 114 MET cc_start: 0.7635 (ttt) cc_final: 0.7350 (ttt) REVERT: AO 137 ASN cc_start: 0.8394 (p0) cc_final: 0.8102 (p0) REVERT: AO 171 MET cc_start: 0.6540 (tmm) cc_final: 0.6312 (tmm) REVERT: AP 27 LYS cc_start: 0.8846 (ptmm) cc_final: 0.8623 (ptmt) REVERT: AP 29 LEU cc_start: 0.9001 (tp) cc_final: 0.8620 (tp) REVERT: AP 33 VAL cc_start: 0.8557 (t) cc_final: 0.8046 (t) REVERT: AP 34 ILE cc_start: 0.8658 (pt) cc_final: 0.8345 (pt) REVERT: AP 49 ARG cc_start: 0.7304 (tpp80) cc_final: 0.6952 (tpp80) REVERT: AP 133 LYS cc_start: 0.8315 (tttm) cc_final: 0.7943 (tttm) REVERT: AP 136 LYS cc_start: 0.8826 (tmmt) cc_final: 0.8037 (tmmt) REVERT: AP 137 ASN cc_start: 0.8093 (m-40) cc_final: 0.7352 (m-40) REVERT: AP 138 MET cc_start: 0.7268 (ppp) cc_final: 0.7004 (ppp) REVERT: AP 149 ASN cc_start: 0.9055 (t0) cc_final: 0.8708 (t0) REVERT: AP 171 MET cc_start: 0.9031 (OUTLIER) cc_final: 0.7481 (mmp) REVERT: AP 188 LEU cc_start: 0.8872 (mt) cc_final: 0.8625 (mt) REVERT: AQ 33 VAL cc_start: 0.8465 (t) cc_final: 0.7867 (t) REVERT: AQ 34 ILE cc_start: 0.9054 (mt) cc_final: 0.8759 (mt) REVERT: AR 40 LEU cc_start: 0.8854 (tp) cc_final: 0.8467 (tp) REVERT: AR 41 VAL cc_start: 0.8902 (p) cc_final: 0.8623 (p) REVERT: AR 55 LYS cc_start: 0.9231 (mtmt) cc_final: 0.9017 (mtpt) REVERT: AR 118 LEU cc_start: 0.8731 (mt) cc_final: 0.8407 (mt) REVERT: AR 149 ASN cc_start: 0.8094 (m-40) cc_final: 0.7730 (m110) REVERT: AR 206 VAL cc_start: 0.7012 (p) cc_final: 0.6541 (m) REVERT: AS 19 VAL cc_start: 0.8858 (t) cc_final: 0.8598 (t) REVERT: AS 34 ILE cc_start: 0.8455 (mm) cc_final: 0.8002 (mm) REVERT: AS 35 ASP cc_start: 0.7349 (m-30) cc_final: 0.7084 (m-30) REVERT: AS 115 SER cc_start: 0.8819 (m) cc_final: 0.7873 (p) REVERT: AS 134 THR cc_start: 0.6923 (p) cc_final: 0.6554 (p) REVERT: AS 183 GLN cc_start: 0.8165 (pt0) cc_final: 0.7623 (pt0) REVERT: AS 208 ASP cc_start: 0.7862 (m-30) cc_final: 0.7621 (m-30) REVERT: AS 214 LYS cc_start: 0.7817 (pptt) cc_final: 0.7339 (tttm) REVERT: AT 67 GLU cc_start: 0.7220 (mp0) cc_final: 0.7008 (mp0) REVERT: AT 138 MET cc_start: 0.6203 (mtm) cc_final: 0.5751 (mtm) REVERT: AU 35 ASP cc_start: 0.8739 (m-30) cc_final: 0.8283 (m-30) REVERT: AU 104 TYR cc_start: 0.6098 (m-80) cc_final: 0.5790 (m-80) REVERT: AU 137 ASN cc_start: 0.8194 (p0) cc_final: 0.7989 (p0) REVERT: AV 11 VAL cc_start: 0.8946 (t) cc_final: 0.8502 (p) REVERT: AV 33 VAL cc_start: 0.8778 (t) cc_final: 0.8483 (t) REVERT: AV 114 MET cc_start: 0.6387 (ptp) cc_final: 0.5711 (ptp) REVERT: AV 133 LYS cc_start: 0.7739 (ttmm) cc_final: 0.7345 (ttmm) REVERT: AV 136 LYS cc_start: 0.8470 (tmmt) cc_final: 0.7830 (ttpp) REVERT: AV 138 MET cc_start: 0.7287 (ppp) cc_final: 0.6791 (ppp) REVERT: AV 149 ASN cc_start: 0.8979 (t0) cc_final: 0.8196 (t0) REVERT: AV 171 MET cc_start: 0.9204 (OUTLIER) cc_final: 0.7820 (mmp) REVERT: AV 173 ASN cc_start: 0.7095 (m-40) cc_final: 0.6882 (m-40) outliers start: 73 outliers final: 7 residues processed: 5407 average time/residue: 1.2077 time to fit residues: 11204.9493 Evaluate side-chains 3945 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 21 poor density : 3924 time to evaluate : 11.678 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1764 random chunks: chunk 1585 optimal weight: 2.9990 chunk 1206 optimal weight: 20.0000 chunk 832 optimal weight: 5.9990 chunk 177 optimal weight: 8.9990 chunk 765 optimal weight: 9.9990 chunk 1077 optimal weight: 7.9990 chunk 1610 optimal weight: 1.9990 chunk 1705 optimal weight: 8.9990 chunk 841 optimal weight: 0.3980 chunk 1526 optimal weight: 0.9990 chunk 459 optimal weight: 6.9990 overall best weight: 2.4788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** D 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 37 GLN ** E 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 173 ASN ** F 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 117 ASN A 154 GLN ** B 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 173 ASN ** G 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 42 GLN ** H 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 105 GLN ** I 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 111 GLN ** I 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 196 GLN I 199 GLN J 107 GLN ** J 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 14 ASN K 16 ASN K 154 GLN ** K 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 117 ASN Q 121 ASN Q 154 GLN ** R 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 42 GLN ** S 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 173 ASN ** U 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 121 ASN ** W 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 154 GLN Y 42 GLN ** Y 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 173 ASN ** Z 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 37 GLN ** 0 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 117 ASN 0 173 ASN 1 66 GLN 1 107 GLN 2 16 ASN ** 2 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 154 GLN ** 2 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 173 ASN ** 4 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 196 GLN 6 199 GLN ** 7 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 31 GLN 8 121 ASN ** 8 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 154 GLN 8 199 GLN ** 9 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 173 ASN 9 183 GLN ** a 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 81 ASN ** d 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 137 ASN ** d 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 16 ASN e 37 GLN e 199 GLN ** f 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 149 ASN ** h 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 66 GLN ** j 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 16 ASN ** k 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 117 ASN k 154 GLN ** l 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 42 GLN ** m 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 105 GLN ** o 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 111 GLN o 196 GLN o 199 GLN p 107 GLN ** p 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 14 ASN q 16 ASN ** q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 121 ASN q 154 GLN ** q 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 173 ASN ** t 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 45 GLN ** t 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 117 ASN w 121 ASN w 154 GLN ** w 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 42 GLN ** y 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 37 GLN AA 173 ASN ** AB 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 195 ASN ** AC 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 154 GLN AD 173 ASN AE 42 GLN ** AE 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 173 ASN ** AF 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 37 GLN ** AG 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 117 ASN ** AH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 16 ASN ** AI 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 121 ASN AI 154 GLN ** AI 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AM 196 GLN AM 199 GLN ** AN 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 121 ASN AO 154 GLN AO 199 GLN ** AP 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AP 173 ASN AP 183 GLN ** AQ 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 63 GLN ** AR 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 105 GLN AS 111 GLN ** AS 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AT 137 ASN ** AT 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AU 14 ASN AU 16 ASN AU 37 GLN AU 199 GLN ** AV 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 92 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6483 moved from start: 0.8606 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.142 139006 Z= 0.234 Angle : 0.701 12.181 186606 Z= 0.378 Chirality : 0.036 0.181 21644 Planarity : 0.004 0.134 24962 Dihedral : 7.246 179.977 19390 Min Nonbonded Distance : 2.086 Molprobity Statistics. All-atom Clashscore : 22.78 Ramachandran Plot: Outliers : 0.16 % Allowed : 1.07 % Favored : 98.77 % Rotamer: Outliers : 0.35 % Allowed : 4.36 % Favored : 95.30 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 2.95 (0.06), residues: 17808 helix: 2.18 (0.04), residues: 16702 sheet: None (None), residues: 0 loop : -1.76 (0.18), residues: 1106 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.014 0.001 TRPAE 71 PHE 0.050 0.002 PHEAK 197 TYR 0.036 0.003 TYR 9 104 ARG 0.021 0.001 ARG F 49 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5308 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 49 poor density : 5259 time to evaluate : 11.629 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: 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revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 11 VAL cc_start: 0.9246 (t) cc_final: 0.8936 (p) REVERT: D 34 ILE cc_start: 0.9241 (mt) cc_final: 0.8932 (mt) REVERT: D 64 ASP cc_start: 0.8312 (p0) cc_final: 0.7954 (p0) REVERT: D 69 LYS cc_start: 0.8630 (ptpp) cc_final: 0.7875 (pttm) REVERT: D 138 MET cc_start: 0.5634 (mmm) cc_final: 0.5260 (mmm) REVERT: D 171 MET cc_start: 0.9254 (mmp) cc_final: 0.8466 (mmm) REVERT: D 187 GLU cc_start: 0.6747 (pp20) cc_final: 0.6335 (tm-30) REVERT: C 11 VAL cc_start: 0.9256 (t) cc_final: 0.8896 (p) REVERT: C 16 ASN cc_start: 0.8077 (m-40) cc_final: 0.7852 (m-40) REVERT: C 40 LEU cc_start: 0.8806 (tp) cc_final: 0.8594 (tp) REVERT: C 41 VAL cc_start: 0.8459 (p) cc_final: 0.7993 (p) REVERT: C 47 VAL cc_start: 0.9406 (t) cc_final: 0.9104 (t) REVERT: C 50 THR cc_start: 0.9554 (p) cc_final: 0.9263 (p) REVERT: E 57 THR cc_start: 0.9085 (p) cc_final: 0.8787 (p) REVERT: E 208 ASP cc_start: 0.7760 (m-30) cc_final: 0.7553 (m-30) REVERT: F 67 GLU cc_start: 0.7491 (mp0) cc_final: 0.7284 (mp0) REVERT: B 19 VAL cc_start: 0.9411 (p) cc_final: 0.9129 (p) REVERT: B 35 ASP cc_start: 0.6835 (t0) cc_final: 0.6353 (t0) REVERT: B 116 GLU cc_start: 0.7339 (pt0) cc_final: 0.6993 (pt0) REVERT: B 133 LYS cc_start: 0.8035 (ttmm) cc_final: 0.7571 (ttmm) REVERT: B 136 LYS cc_start: 0.8770 (tmmt) cc_final: 0.7894 (ttpp) REVERT: B 139 LEU cc_start: 0.8294 (mt) cc_final: 0.7908 (mt) REVERT: B 147 LYS cc_start: 0.8312 (pttm) cc_final: 0.7891 (pttm) REVERT: B 173 ASN cc_start: 0.7687 (m-40) cc_final: 0.7349 (m110) REVERT: B 193 ILE cc_start: 0.7442 (mp) cc_final: 0.6944 (mp) REVERT: G 11 VAL cc_start: 0.9191 (t) cc_final: 0.8892 (p) REVERT: G 33 VAL cc_start: 0.8807 (t) cc_final: 0.8296 (t) REVERT: G 34 ILE cc_start: 0.9163 (mt) cc_final: 0.8959 (mt) REVERT: G 122 LEU cc_start: 0.8827 (tp) cc_final: 0.8532 (tp) REVERT: H 16 ASN cc_start: 0.8025 (m-40) cc_final: 0.7325 (m-40) REVERT: H 27 LYS cc_start: 0.6844 (mtpt) cc_final: 0.6634 (tttt) REVERT: H 41 VAL cc_start: 0.8371 (p) cc_final: 0.8040 (p) REVERT: H 173 ASN cc_start: 0.7621 (m110) cc_final: 0.7058 (m110) REVERT: H 176 LEU cc_start: 0.8681 (mt) cc_final: 0.7134 (mt) REVERT: I 35 ASP cc_start: 0.7602 (m-30) cc_final: 0.7248 (m-30) REVERT: I 115 SER cc_start: 0.8883 (m) cc_final: 0.8644 (p) REVERT: I 128 LYS cc_start: 0.8276 (ptpp) cc_final: 0.7890 (ptpp) REVERT: I 129 ILE cc_start: 0.9233 (OUTLIER) cc_final: 0.8764 (mm) REVERT: I 149 ASN cc_start: 0.8189 (m110) cc_final: 0.7792 (m110) REVERT: I 214 LYS cc_start: 0.7583 (pptt) cc_final: 0.7301 (ttmm) REVERT: J 36 MET cc_start: 0.6545 (ptm) cc_final: 0.6272 (ptm) REVERT: J 45 GLN cc_start: 0.8667 (pt0) cc_final: 0.8332 (pt0) REVERT: J 50 THR cc_start: 0.8314 (t) cc_final: 0.8099 (p) REVERT: J 196 GLN cc_start: 0.6363 (mm-40) cc_final: 0.6060 (mm110) REVERT: K 41 VAL cc_start: 0.8876 (t) cc_final: 0.8219 (t) REVERT: K 114 MET cc_start: 0.7805 (ttt) cc_final: 0.7214 (ttt) REVERT: K 152 LEU cc_start: 0.8495 (pp) cc_final: 0.8107 (pp) REVERT: L 35 ASP cc_start: 0.6696 (t0) cc_final: 0.5974 (t0) REVERT: L 49 ARG cc_start: 0.7387 (tpp-160) cc_final: 0.7065 (tpp80) REVERT: L 114 MET cc_start: 0.6088 (ptp) cc_final: 0.5887 (ptp) REVERT: L 116 GLU cc_start: 0.6508 (pt0) cc_final: 0.6035 (pt0) REVERT: L 136 LYS cc_start: 0.9109 (tmmt) cc_final: 0.7963 (ttpp) REVERT: L 139 LEU cc_start: 0.8523 (mt) cc_final: 0.8268 (mt) REVERT: L 171 MET cc_start: 0.8966 (mmp) cc_final: 0.8700 (mmp) REVERT: L 193 ILE cc_start: 0.7365 (mp) cc_final: 0.6934 (mp) REVERT: M 33 VAL cc_start: 0.8318 (t) cc_final: 0.7835 (t) REVERT: M 34 ILE cc_start: 0.8771 (mt) cc_final: 0.8065 (mt) REVERT: M 174 LYS cc_start: 0.9119 (ptpt) cc_final: 0.8795 (ptpt) REVERT: M 177 ASP cc_start: 0.7528 (t70) cc_final: 0.7142 (t70) REVERT: N 16 ASN cc_start: 0.8323 (m-40) cc_final: 0.7933 (m-40) REVERT: N 47 VAL cc_start: 0.9500 (t) cc_final: 0.9198 (t) REVERT: N 70 LYS cc_start: 0.8270 (pttp) cc_final: 0.8065 (pttp) REVERT: N 120 ARG cc_start: 0.7654 (ptp-110) cc_final: 0.7017 (mtm-85) REVERT: N 134 THR cc_start: 0.9172 (t) cc_final: 0.8719 (t) REVERT: N 171 MET cc_start: 0.8068 (mmm) cc_final: 0.7538 (mmm) REVERT: O 115 SER cc_start: 0.8981 (m) cc_final: 0.8107 (p) REVERT: O 119 ARG cc_start: 0.7790 (ptp-170) cc_final: 0.7451 (ptt-90) REVERT: P 125 LEU cc_start: 0.7521 (tp) cc_final: 0.7044 (tp) REVERT: P 168 PHE cc_start: 0.7563 (m-10) cc_final: 0.7290 (m-10) REVERT: Q 137 ASN cc_start: 0.7972 (p0) cc_final: 0.7616 (p0) REVERT: Q 155 THR cc_start: 0.7275 (t) cc_final: 0.6729 (t) REVERT: R 19 VAL cc_start: 0.9473 (p) cc_final: 0.9091 (p) REVERT: R 34 ILE cc_start: 0.8842 (pt) cc_final: 0.8059 (pt) REVERT: R 42 GLN cc_start: 0.8433 (mp-120) cc_final: 0.8049 (mp-120) REVERT: R 49 ARG cc_start: 0.7116 (tpp-160) cc_final: 0.6347 (tpp80) REVERT: R 129 ILE cc_start: 0.8763 (mm) cc_final: 0.8215 (mm) REVERT: R 136 LYS cc_start: 0.8647 (tmmt) cc_final: 0.8197 (ttpp) REVERT: R 149 ASN cc_start: 0.8940 (t0) cc_final: 0.8695 (t0) REVERT: R 173 ASN cc_start: 0.7401 (m-40) cc_final: 0.6931 (m-40) REVERT: R 188 LEU cc_start: 0.8981 (mt) cc_final: 0.8511 (tp) REVERT: R 193 ILE cc_start: 0.7223 (mp) cc_final: 0.6972 (mp) REVERT: S 11 VAL cc_start: 0.9244 (t) cc_final: 0.8821 (p) REVERT: S 28 VAL cc_start: 0.7283 (t) cc_final: 0.7031 (t) REVERT: S 33 VAL cc_start: 0.8283 (t) cc_final: 0.7345 (t) REVERT: S 34 ILE cc_start: 0.9186 (mt) cc_final: 0.8664 (mt) REVERT: S 138 MET cc_start: 0.5547 (mmm) cc_final: 0.5323 (mmm) REVERT: S 139 LEU cc_start: 0.7498 (tp) cc_final: 0.7171 (tp) REVERT: S 171 MET cc_start: 0.9052 (mmp) cc_final: 0.8388 (mmp) REVERT: T 18 LEU cc_start: 0.8964 (mm) cc_final: 0.8647 (mm) REVERT: T 41 VAL cc_start: 0.8884 (p) cc_final: 0.8575 (m) REVERT: T 43 LEU cc_start: 0.9191 (tp) cc_final: 0.8633 (tp) REVERT: T 139 LEU cc_start: 0.8295 (mt) cc_final: 0.7252 (mt) REVERT: U 38 GLU cc_start: 0.7404 (mt-10) cc_final: 0.7156 (mt-10) REVERT: U 149 ASN cc_start: 0.7842 (m110) cc_final: 0.7294 (m110) REVERT: W 34 ILE cc_start: 0.8952 (mt) cc_final: 0.8524 (mt) REVERT: X 29 LEU cc_start: 0.8680 (tp) cc_final: 0.8331 (tp) REVERT: X 34 ILE cc_start: 0.9203 (pt) cc_final: 0.8642 (pt) REVERT: X 35 ASP cc_start: 0.6257 (t0) cc_final: 0.6040 (t0) REVERT: X 42 GLN cc_start: 0.8660 (mp-120) cc_final: 0.8017 (mp-120) REVERT: X 114 MET cc_start: 0.6152 (ptp) cc_final: 0.5663 (ptp) REVERT: X 116 GLU cc_start: 0.7156 (pt0) cc_final: 0.6269 (pt0) REVERT: X 136 LYS cc_start: 0.8732 (tmmt) cc_final: 0.7765 (tmmt) REVERT: X 137 ASN cc_start: 0.7489 (m-40) cc_final: 0.6920 (m-40) REVERT: X 138 MET cc_start: 0.7391 (ppp) cc_final: 0.7028 (ppp) REVERT: X 147 LYS cc_start: 0.8905 (pttm) cc_final: 0.8487 (pttm) REVERT: X 149 ASN cc_start: 0.8200 (t0) cc_final: 0.7980 (t0) REVERT: Y 15 LEU cc_start: 0.7914 (mm) cc_final: 0.7712 (mm) REVERT: Y 37 GLN cc_start: 0.8925 (OUTLIER) cc_final: 0.8530 (mp10) REVERT: Y 38 GLU cc_start: 0.7692 (pt0) cc_final: 0.7400 (pt0) REVERT: Y 118 LEU cc_start: 0.9204 (mt) cc_final: 0.8812 (mt) REVERT: Y 122 LEU cc_start: 0.8960 (tp) cc_final: 0.8644 (tp) REVERT: Y 138 MET cc_start: 0.6280 (mmt) cc_final: 0.5943 (mmt) REVERT: Y 174 LYS cc_start: 0.8855 (ptpt) cc_final: 0.8614 (ptpt) REVERT: Y 193 ILE cc_start: 0.7025 (pt) cc_final: 0.6647 (pt) REVERT: Z 16 ASN cc_start: 0.7820 (m-40) cc_final: 0.7558 (m-40) REVERT: Z 133 LYS cc_start: 0.8496 (ttmm) cc_final: 0.8155 (ttmm) REVERT: Z 149 ASN cc_start: 0.8029 (m-40) cc_final: 0.7517 (m110) REVERT: 0 27 LYS cc_start: 0.7087 (mtmt) cc_final: 0.6135 (mtmt) REVERT: 0 64 ASP cc_start: 0.6991 (t0) cc_final: 0.6782 (t0) REVERT: 0 183 GLN cc_start: 0.8372 (pt0) cc_final: 0.7641 (pt0) REVERT: 1 136 LYS cc_start: 0.8675 (mttt) cc_final: 0.8442 (ttmt) REVERT: 2 34 ILE cc_start: 0.8776 (mt) cc_final: 0.8506 (mt) REVERT: 2 114 MET cc_start: 0.7477 (ttt) cc_final: 0.7220 (ttt) REVERT: 3 29 LEU cc_start: 0.8813 (tp) cc_final: 0.8604 (tp) REVERT: 3 42 GLN cc_start: 0.9033 (mp-120) cc_final: 0.8269 (mp10) REVERT: 3 44 ARG cc_start: 0.6606 (mmp80) cc_final: 0.6256 (mmp80) REVERT: 3 49 ARG cc_start: 0.7535 (tpp80) cc_final: 0.6794 (tpp80) REVERT: 3 136 LYS cc_start: 0.8739 (tmmt) cc_final: 0.7908 (tmmt) REVERT: 3 137 ASN cc_start: 0.7760 (m110) cc_final: 0.7062 (m110) REVERT: 3 149 ASN cc_start: 0.9090 (t0) cc_final: 0.8802 (t0) REVERT: 4 11 VAL cc_start: 0.9270 (t) cc_final: 0.8494 (p) REVERT: 4 34 ILE cc_start: 0.9266 (mt) cc_final: 0.8523 (mt) REVERT: 4 37 GLN cc_start: 0.8926 (OUTLIER) cc_final: 0.8695 (pm20) REVERT: 4 64 ASP cc_start: 0.8369 (p0) cc_final: 0.7397 (p0) REVERT: 4 114 MET cc_start: 0.6609 (tpp) cc_final: 0.6388 (tpp) REVERT: 4 171 MET cc_start: 0.9167 (mmp) cc_final: 0.8690 (mmm) REVERT: 4 177 ASP cc_start: 0.7979 (t70) cc_final: 0.7380 (t70) REVERT: 5 18 LEU cc_start: 0.8917 (mt) cc_final: 0.8557 (mm) REVERT: 5 27 LYS cc_start: 0.6823 (mtpt) cc_final: 0.6526 (tttt) REVERT: 5 49 ARG cc_start: 0.7226 (ptp-110) cc_final: 0.6712 (mtm-85) REVERT: 5 133 LYS cc_start: 0.8403 (ttmm) cc_final: 0.8149 (ttmm) REVERT: 5 171 MET cc_start: 0.8155 (mmm) cc_final: 0.7342 (mmm) REVERT: 6 34 ILE cc_start: 0.8748 (mp) cc_final: 0.8245 (mp) REVERT: 6 64 ASP cc_start: 0.8552 (m-30) cc_final: 0.8247 (t0) REVERT: 6 214 LYS cc_start: 0.7992 (pptt) cc_final: 0.7496 (ttmm) REVERT: 7 36 MET cc_start: 0.6738 (ptm) cc_final: 0.6476 (ptm) REVERT: 7 196 GLN cc_start: 0.5726 (tp40) cc_final: 0.5374 (tp40) REVERT: 8 34 ILE cc_start: 0.8957 (pt) cc_final: 0.8410 (pt) REVERT: 9 19 VAL cc_start: 0.9422 (p) cc_final: 0.9159 (p) REVERT: 9 34 ILE cc_start: 0.9038 (pt) cc_final: 0.8547 (pt) REVERT: 9 49 ARG cc_start: 0.6354 (tpp-160) cc_final: 0.5950 (tpp80) REVERT: 9 133 LYS cc_start: 0.8181 (tttm) cc_final: 0.7275 (tttm) REVERT: 9 136 LYS cc_start: 0.8892 (tmmt) cc_final: 0.7905 (tmmt) REVERT: 9 137 ASN cc_start: 0.7720 (m-40) cc_final: 0.7005 (m-40) REVERT: 9 138 MET cc_start: 0.7228 (ppp) cc_final: 0.6863 (ppp) REVERT: 9 149 ASN cc_start: 0.9080 (t0) cc_final: 0.8811 (t0) REVERT: 9 171 MET cc_start: 0.8513 (mmp) cc_final: 0.8078 (mmp) REVERT: a 11 VAL cc_start: 0.9183 (t) cc_final: 0.8817 (p) REVERT: a 33 VAL cc_start: 0.8711 (t) cc_final: 0.8302 (t) REVERT: a 122 LEU cc_start: 0.8670 (tp) cc_final: 0.8454 (tp) REVERT: a 171 MET cc_start: 0.9077 (mmp) cc_final: 0.8314 (mmp) REVERT: a 178 MET cc_start: 0.8438 (mmp) cc_final: 0.8060 (mmm) REVERT: a 188 LEU cc_start: 0.8473 (mt) cc_final: 0.8060 (mt) REVERT: b 17 ASP cc_start: 0.8128 (p0) cc_final: 0.7404 (p0) REVERT: b 40 LEU cc_start: 0.8786 (tp) cc_final: 0.8555 (tp) REVERT: b 41 VAL cc_start: 0.8731 (p) cc_final: 0.8098 (p) REVERT: b 43 LEU cc_start: 0.8959 (tp) cc_final: 0.8662 (tp) REVERT: b 120 ARG cc_start: 0.7869 (ptp-110) cc_final: 0.7275 (mtm-85) REVERT: b 179 GLU cc_start: 0.8012 (pt0) cc_final: 0.7743 (pp20) REVERT: c 34 ILE cc_start: 0.8477 (mm) cc_final: 0.8101 (mm) REVERT: c 43 LEU cc_start: 0.8644 (mt) cc_final: 0.8219 (mt) REVERT: c 208 ASP cc_start: 0.7608 (m-30) cc_final: 0.7320 (m-30) REVERT: c 214 LYS cc_start: 0.7814 (pptt) cc_final: 0.7377 (ttmm) REVERT: d 196 GLN cc_start: 0.5932 (tp40) cc_final: 0.5717 (tp40) REVERT: e 34 ILE cc_start: 0.8671 (mt) cc_final: 0.8306 (mt) REVERT: e 114 MET cc_start: 0.8217 (ttt) cc_final: 0.7816 (ttt) REVERT: f 19 VAL cc_start: 0.9372 (p) cc_final: 0.9089 (p) REVERT: f 33 VAL cc_start: 0.8441 (t) cc_final: 0.7679 (t) REVERT: f 49 ARG cc_start: 0.7287 (tpp80) cc_final: 0.6685 (tpp80) REVERT: f 51 ILE cc_start: 0.8545 (mm) cc_final: 0.7476 (mm) REVERT: f 133 LYS cc_start: 0.8200 (ttmm) cc_final: 0.7605 (ttmm) REVERT: f 136 LYS cc_start: 0.8728 (tmmt) cc_final: 0.7935 (ttpp) REVERT: f 138 MET cc_start: 0.7566 (ppp) cc_final: 0.7159 (ppp) REVERT: f 171 MET cc_start: 0.8802 (mmp) cc_final: 0.8591 (mmp) REVERT: f 173 ASN cc_start: 0.7187 (m-40) cc_final: 0.5712 (m-40) REVERT: f 188 LEU cc_start: 0.9008 (mt) cc_final: 0.8715 (mt) REVERT: g 11 VAL cc_start: 0.9204 (t) cc_final: 0.8836 (p) REVERT: g 33 VAL cc_start: 0.7958 (t) cc_final: 0.7580 (t) REVERT: g 34 ILE cc_start: 0.9083 (mt) cc_final: 0.8634 (mt) REVERT: g 64 ASP cc_start: 0.8261 (p0) cc_final: 0.7914 (p0) REVERT: g 69 LYS cc_start: 0.8606 (ptpp) cc_final: 0.7892 (pttm) REVERT: g 122 LEU cc_start: 0.8750 (tp) cc_final: 0.8407 (tp) REVERT: g 138 MET cc_start: 0.5891 (mmm) cc_final: 0.5547 (mmt) REVERT: g 156 LEU cc_start: 0.9108 (mt) cc_final: 0.8602 (pp) REVERT: g 171 MET cc_start: 0.9207 (mmp) cc_final: 0.8446 (mmm) REVERT: g 187 GLU cc_start: 0.6700 (pp20) cc_final: 0.6290 (tm-30) REVERT: h 11 VAL cc_start: 0.9226 (t) cc_final: 0.8816 (p) REVERT: h 16 ASN cc_start: 0.8174 (m-40) cc_final: 0.7735 (m-40) REVERT: h 40 LEU cc_start: 0.8864 (tp) cc_final: 0.8639 (tp) REVERT: h 41 VAL cc_start: 0.8504 (p) cc_final: 0.8131 (p) REVERT: h 47 VAL cc_start: 0.9397 (t) cc_final: 0.9097 (t) REVERT: h 50 THR cc_start: 0.9541 (p) cc_final: 0.9256 (p) REVERT: i 35 ASP cc_start: 0.8094 (m-30) cc_final: 0.7544 (m-30) REVERT: i 38 GLU cc_start: 0.8272 (pm20) cc_final: 0.8040 (pp20) REVERT: i 57 THR cc_start: 0.8735 (p) cc_final: 0.8065 (p) REVERT: i 138 MET cc_start: 0.5036 (ptp) cc_final: 0.4801 (ptp) REVERT: i 208 ASP cc_start: 0.7800 (m-30) cc_final: 0.7595 (m-30) REVERT: j 129 ILE cc_start: 0.7649 (mt) cc_final: 0.7422 (mt) REVERT: k 35 ASP cc_start: 0.8570 (m-30) cc_final: 0.8181 (m-30) REVERT: k 114 MET cc_start: 0.7720 (ttt) cc_final: 0.7437 (ttt) REVERT: k 137 ASN cc_start: 0.8410 (p0) cc_final: 0.7857 (p0) REVERT: k 193 ILE cc_start: 0.9117 (pt) cc_final: 0.8786 (pt) REVERT: l 19 VAL cc_start: 0.9432 (p) cc_final: 0.9073 (p) REVERT: l 33 VAL cc_start: 0.8389 (t) cc_final: 0.7948 (t) REVERT: l 34 ILE cc_start: 0.8500 (pt) cc_final: 0.7990 (pt) REVERT: l 42 GLN cc_start: 0.8371 (mp-120) cc_final: 0.8137 (mp-120) REVERT: l 49 ARG cc_start: 0.7493 (tpp80) cc_final: 0.7193 (tpp-160) REVERT: l 116 GLU cc_start: 0.7295 (pt0) cc_final: 0.6884 (pt0) REVERT: l 133 LYS cc_start: 0.8090 (ttmm) cc_final: 0.7560 (ttmm) REVERT: l 136 LYS cc_start: 0.8933 (tmmt) cc_final: 0.8187 (ttpp) REVERT: l 139 LEU cc_start: 0.8312 (mt) cc_final: 0.8031 (mt) REVERT: l 147 LYS cc_start: 0.9013 (pttm) cc_final: 0.8704 (pttm) REVERT: l 173 ASN cc_start: 0.7442 (m-40) cc_final: 0.6950 (m-40) REVERT: l 188 LEU cc_start: 0.8961 (mt) cc_final: 0.8558 (mm) REVERT: l 193 ILE cc_start: 0.7382 (mp) cc_final: 0.6956 (mp) REVERT: m 11 VAL cc_start: 0.9200 (t) cc_final: 0.8851 (p) REVERT: m 33 VAL cc_start: 0.8851 (t) cc_final: 0.8377 (t) REVERT: m 34 ILE cc_start: 0.9227 (mt) cc_final: 0.8899 (mt) REVERT: m 122 LEU cc_start: 0.8850 (tp) cc_final: 0.8486 (tp) REVERT: n 16 ASN cc_start: 0.8112 (m-40) cc_final: 0.7873 (t0) REVERT: n 27 LYS cc_start: 0.6894 (mtpt) cc_final: 0.6601 (tttt) REVERT: n 41 VAL cc_start: 0.8456 (p) cc_final: 0.8119 (p) REVERT: n 108 LEU cc_start: 0.8954 (mt) cc_final: 0.8732 (mt) REVERT: n 173 ASN cc_start: 0.7767 (m110) cc_final: 0.7220 (m110) REVERT: n 176 LEU cc_start: 0.8589 (mt) cc_final: 0.7302 (mt) REVERT: o 35 ASP cc_start: 0.7552 (m-30) cc_final: 0.7203 (m-30) REVERT: o 128 LYS cc_start: 0.8336 (ptpp) cc_final: 0.7868 (ptpp) REVERT: o 129 ILE cc_start: 0.9306 (OUTLIER) cc_final: 0.8926 (mm) REVERT: o 171 MET cc_start: 0.7904 (mmp) cc_final: 0.7693 (mmp) REVERT: o 183 GLN cc_start: 0.8753 (pt0) cc_final: 0.8435 (pt0) REVERT: o 214 LYS cc_start: 0.7596 (pptt) cc_final: 0.7288 (ttmm) REVERT: p 36 MET cc_start: 0.6695 (ptm) cc_final: 0.6405 (ptm) REVERT: p 50 THR cc_start: 0.8305 (t) cc_final: 0.8090 (p) REVERT: p 138 MET cc_start: 0.5102 (mtm) cc_final: 0.4621 (mtm) REVERT: q 41 VAL cc_start: 0.8839 (t) cc_final: 0.8341 (t) REVERT: q 114 MET cc_start: 0.7595 (ttt) cc_final: 0.7070 (ttt) REVERT: q 126 GLU cc_start: 0.6965 (mp0) cc_final: 0.6529 (mp0) REVERT: q 137 ASN cc_start: 0.8025 (p0) cc_final: 0.7491 (p0) REVERT: q 152 LEU cc_start: 0.8441 (pp) cc_final: 0.7956 (pp) REVERT: r 19 VAL cc_start: 0.9496 (p) cc_final: 0.9278 (p) REVERT: r 35 ASP cc_start: 0.6362 (t0) cc_final: 0.5673 (t0) REVERT: r 114 MET cc_start: 0.6509 (ptp) cc_final: 0.6147 (ptp) REVERT: r 136 LYS cc_start: 0.9031 (tmmt) cc_final: 0.7951 (ttpp) REVERT: r 139 LEU cc_start: 0.8551 (mt) cc_final: 0.8200 (mt) REVERT: r 171 MET cc_start: 0.8715 (mmp) cc_final: 0.8345 (mmp) REVERT: r 188 LEU cc_start: 0.8865 (mt) cc_final: 0.8549 (mt) REVERT: r 193 ILE cc_start: 0.7371 (mp) cc_final: 0.7142 (mp) REVERT: s 33 VAL cc_start: 0.8314 (t) cc_final: 0.7849 (t) REVERT: s 34 ILE cc_start: 0.8830 (mt) cc_final: 0.8121 (mt) REVERT: s 171 MET cc_start: 0.9200 (mmp) cc_final: 0.8917 (mmp) REVERT: s 177 ASP cc_start: 0.7283 (t70) cc_final: 0.7013 (t70) REVERT: s 188 LEU cc_start: 0.8791 (mt) cc_final: 0.8341 (mt) REVERT: t 16 ASN cc_start: 0.8316 (m-40) cc_final: 0.7962 (m-40) REVERT: t 37 GLN cc_start: 0.7022 (mm-40) cc_final: 0.6791 (mm-40) REVERT: t 44 ARG cc_start: 0.7816 (mtp-110) cc_final: 0.7266 (mtp-110) REVERT: t 171 MET cc_start: 0.8140 (mmm) cc_final: 0.7602 (mmm) REVERT: u 115 SER cc_start: 0.8934 (m) cc_final: 0.8092 (p) REVERT: u 119 ARG cc_start: 0.7845 (ptp-170) cc_final: 0.7446 (ptt-90) REVERT: v 125 LEU cc_start: 0.7513 (tp) cc_final: 0.7004 (tp) REVERT: v 168 PHE cc_start: 0.7605 (m-10) cc_final: 0.7340 (m-10) REVERT: w 121 ASN cc_start: 0.8418 (m110) cc_final: 0.8197 (m110) REVERT: w 137 ASN cc_start: 0.7999 (p0) cc_final: 0.7612 (p0) REVERT: x 34 ILE cc_start: 0.8798 (pt) cc_final: 0.8054 (pt) REVERT: x 42 GLN cc_start: 0.8493 (mp-120) cc_final: 0.8104 (mp-120) REVERT: x 49 ARG cc_start: 0.7104 (tpp-160) cc_final: 0.6372 (tpp80) REVERT: x 129 ILE cc_start: 0.8715 (mm) cc_final: 0.8148 (mm) REVERT: x 136 LYS cc_start: 0.8655 (tmmt) cc_final: 0.8111 (ttpp) REVERT: x 138 MET cc_start: 0.7228 (ppp) cc_final: 0.6989 (ppp) REVERT: x 173 ASN cc_start: 0.7454 (m-40) cc_final: 0.6921 (m-40) REVERT: x 188 LEU cc_start: 0.8999 (mt) cc_final: 0.8470 (tp) REVERT: x 193 ILE cc_start: 0.7280 (mp) cc_final: 0.6994 (mp) REVERT: y 11 VAL cc_start: 0.9248 (t) cc_final: 0.8830 (p) REVERT: y 33 VAL cc_start: 0.8324 (t) cc_final: 0.7314 (t) REVERT: y 34 ILE cc_start: 0.9221 (mt) cc_final: 0.8665 (mt) REVERT: y 138 MET cc_start: 0.5479 (mmm) cc_final: 0.5271 (mmm) REVERT: y 139 LEU cc_start: 0.7476 (tp) cc_final: 0.7177 (tp) REVERT: y 171 MET cc_start: 0.9227 (mmp) cc_final: 0.8110 (mmp) REVERT: y 174 LYS cc_start: 0.8788 (ptpt) cc_final: 0.8389 (ptpt) REVERT: z 18 LEU cc_start: 0.8961 (mm) cc_final: 0.8649 (mm) REVERT: z 27 LYS cc_start: 0.7575 (tttt) cc_final: 0.7143 (tttm) REVERT: z 43 LEU cc_start: 0.9208 (tp) cc_final: 0.8792 (tp) REVERT: z 58 GLU cc_start: 0.7933 (mp0) cc_final: 0.7690 (mp0) REVERT: z 139 LEU cc_start: 0.8265 (mt) cc_final: 0.7454 (mt) REVERT: z 147 LYS cc_start: 0.8313 (ptpp) cc_final: 0.8010 (pttm) REVERT: AA 34 ILE cc_start: 0.8538 (mp) cc_final: 0.8188 (mp) REVERT: AA 149 ASN cc_start: 0.7884 (m110) cc_final: 0.7454 (m110) REVERT: AC 34 ILE cc_start: 0.8925 (mt) cc_final: 0.8494 (mt) REVERT: AD 29 LEU cc_start: 0.8739 (tp) cc_final: 0.8388 (tp) REVERT: AD 34 ILE cc_start: 0.9238 (pt) cc_final: 0.8620 (pt) REVERT: AD 35 ASP cc_start: 0.6379 (t0) cc_final: 0.6132 (t0) REVERT: AD 42 GLN cc_start: 0.8682 (mp-120) cc_final: 0.8071 (mp-120) REVERT: AD 114 MET cc_start: 0.6185 (ptp) cc_final: 0.5687 (ptp) REVERT: AD 116 GLU cc_start: 0.7184 (pt0) cc_final: 0.6325 (pt0) REVERT: AD 136 LYS cc_start: 0.8688 (tmmt) cc_final: 0.7822 (tmmt) REVERT: AD 137 ASN cc_start: 0.7527 (m-40) cc_final: 0.6986 (m-40) REVERT: AD 138 MET cc_start: 0.7442 (ppp) cc_final: 0.7130 (ppp) REVERT: AD 147 LYS cc_start: 0.8846 (pttm) cc_final: 0.8609 (pttp) REVERT: AD 149 ASN cc_start: 0.8345 (t0) cc_final: 0.7994 (t0) REVERT: AD 168 PHE cc_start: 0.7106 (t80) cc_final: 0.6740 (t80) REVERT: AE 37 GLN cc_start: 0.8910 (OUTLIER) cc_final: 0.8493 (mp10) REVERT: AE 118 LEU cc_start: 0.9225 (mt) cc_final: 0.8859 (mt) REVERT: AE 122 LEU cc_start: 0.8968 (tp) cc_final: 0.8651 (tp) REVERT: AE 138 MET cc_start: 0.6222 (mmt) cc_final: 0.5925 (mmt) REVERT: AE 174 LYS cc_start: 0.8889 (ptpt) cc_final: 0.8589 (ptpt) REVERT: AE 193 ILE cc_start: 0.6953 (pt) cc_final: 0.6604 (pt) REVERT: AF 16 ASN cc_start: 0.7825 (m-40) cc_final: 0.7547 (m-40) REVERT: AF 40 LEU cc_start: 0.8980 (tp) cc_final: 0.8739 (tp) REVERT: AF 41 VAL cc_start: 0.8583 (p) cc_final: 0.8338 (p) REVERT: AF 47 VAL cc_start: 0.9281 (t) cc_final: 0.9071 (t) REVERT: AF 133 LYS cc_start: 0.8454 (ttmm) cc_final: 0.8128 (ttmm) REVERT: AF 149 ASN cc_start: 0.8051 (m-40) cc_final: 0.7508 (m110) REVERT: AG 19 VAL cc_start: 0.8965 (t) cc_final: 0.8762 (t) REVERT: AG 27 LYS cc_start: 0.7012 (mtmt) cc_final: 0.6085 (mtmt) REVERT: AG 64 ASP cc_start: 0.7014 (t0) cc_final: 0.6755 (t0) REVERT: AG 183 GLN cc_start: 0.8395 (pt0) cc_final: 0.7648 (pt0) REVERT: AH 114 MET cc_start: 0.6649 (tpt) cc_final: 0.6423 (tpt) REVERT: AI 34 ILE cc_start: 0.8755 (mt) cc_final: 0.8451 (mt) REVERT: AJ 42 GLN cc_start: 0.8943 (mp-120) cc_final: 0.8183 (mp10) REVERT: AJ 44 ARG cc_start: 0.6484 (mmp80) cc_final: 0.6215 (mmp80) REVERT: AJ 49 ARG cc_start: 0.7550 (tpp80) cc_final: 0.6825 (tpp80) REVERT: AJ 136 LYS cc_start: 0.8689 (tmmt) cc_final: 0.7856 (tmmt) REVERT: AJ 137 ASN cc_start: 0.7707 (m110) cc_final: 0.6989 (m110) REVERT: AJ 149 ASN cc_start: 0.9078 (t0) cc_final: 0.8771 (t0) REVERT: AJ 171 MET cc_start: 0.8412 (mmp) cc_final: 0.8083 (mmp) REVERT: AJ 188 LEU cc_start: 0.9263 (mt) cc_final: 0.8927 (mp) REVERT: AK 11 VAL cc_start: 0.9264 (t) cc_final: 0.8515 (p) REVERT: AK 34 ILE cc_start: 0.9270 (mt) cc_final: 0.8546 (mt) REVERT: AK 37 GLN cc_start: 0.8935 (OUTLIER) cc_final: 0.8707 (pm20) REVERT: AK 64 ASP cc_start: 0.8321 (p0) cc_final: 0.7432 (p0) REVERT: AK 171 MET cc_start: 0.9150 (mmp) cc_final: 0.8672 (mmm) REVERT: AK 177 ASP cc_start: 0.7949 (t70) cc_final: 0.7332 (t70) REVERT: AL 18 LEU cc_start: 0.8926 (mt) cc_final: 0.8569 (mm) REVERT: AL 27 LYS cc_start: 0.6830 (mtpt) cc_final: 0.6442 (tttt) REVERT: AL 55 LYS cc_start: 0.8642 (mtmt) cc_final: 0.8377 (mtpt) REVERT: AL 108 LEU cc_start: 0.8845 (mt) cc_final: 0.8571 (mt) REVERT: AL 133 LYS cc_start: 0.8620 (ttmm) cc_final: 0.8212 (ttmm) REVERT: AL 171 MET cc_start: 0.8080 (mmm) cc_final: 0.7740 (mmm) REVERT: AM 34 ILE cc_start: 0.8790 (mp) cc_final: 0.8344 (mp) REVERT: AM 64 ASP cc_start: 0.8141 (m-30) cc_final: 0.7761 (m-30) REVERT: AM 214 LYS cc_start: 0.7947 (pptt) cc_final: 0.7485 (ttmm) REVERT: AN 138 MET cc_start: 0.4766 (ptp) cc_final: 0.4339 (ptm) REVERT: AN 196 GLN cc_start: 0.5850 (tp40) cc_final: 0.5450 (tp40) REVERT: AO 35 ASP cc_start: 0.8300 (m-30) cc_final: 0.8083 (m-30) REVERT: AO 41 VAL cc_start: 0.8977 (t) cc_final: 0.7363 (t) REVERT: AO 114 MET cc_start: 0.8000 (ttt) cc_final: 0.7750 (ttt) REVERT: AP 29 LEU cc_start: 0.9016 (tp) cc_final: 0.8812 (tp) REVERT: AP 49 ARG cc_start: 0.7727 (tpp80) cc_final: 0.7185 (tpp80) REVERT: AP 129 ILE cc_start: 0.8595 (mt) cc_final: 0.8361 (mt) REVERT: AP 133 LYS cc_start: 0.8264 (tttm) cc_final: 0.7337 (tttm) REVERT: AP 136 LYS cc_start: 0.8855 (tmmt) cc_final: 0.7792 (tmmt) REVERT: AP 137 ASN cc_start: 0.7820 (m-40) cc_final: 0.7028 (m-40) REVERT: AP 138 MET cc_start: 0.7246 (ppp) cc_final: 0.6875 (ppp) REVERT: AP 149 ASN cc_start: 0.9136 (t0) cc_final: 0.8764 (t0) REVERT: AP 171 MET cc_start: 0.8521 (mmp) cc_final: 0.8101 (mmp) REVERT: AQ 11 VAL cc_start: 0.9183 (t) cc_final: 0.8863 (p) REVERT: AQ 15 LEU cc_start: 0.8098 (mt) cc_final: 0.7897 (mt) REVERT: AQ 33 VAL cc_start: 0.8707 (t) cc_final: 0.8256 (t) REVERT: AQ 139 LEU cc_start: 0.7382 (tp) cc_final: 0.6922 (tp) REVERT: AQ 171 MET cc_start: 0.9081 (mmp) cc_final: 0.8287 (mmp) REVERT: AQ 178 MET cc_start: 0.8444 (mmp) cc_final: 0.8103 (mmm) REVERT: AQ 188 LEU cc_start: 0.8418 (mt) cc_final: 0.8069 (mt) REVERT: AR 17 ASP cc_start: 0.7906 (p0) cc_final: 0.7287 (p0) REVERT: AR 40 LEU cc_start: 0.8974 (tp) cc_final: 0.8647 (tp) REVERT: AR 41 VAL cc_start: 0.9017 (p) cc_final: 0.8723 (p) REVERT: AR 55 LYS cc_start: 0.9145 (mtmt) cc_final: 0.8874 (mtpt) REVERT: AR 120 ARG cc_start: 0.7839 (ptp-110) cc_final: 0.7274 (mtm-85) REVERT: AR 165 THR cc_start: 0.7442 (p) cc_final: 0.7235 (p) REVERT: AR 176 LEU cc_start: 0.8780 (mt) cc_final: 0.7669 (mm) REVERT: AS 34 ILE cc_start: 0.8510 (mm) cc_final: 0.8154 (mm) REVERT: AS 43 LEU cc_start: 0.8653 (mt) cc_final: 0.8272 (mt) REVERT: AS 134 THR cc_start: 0.6866 (p) cc_final: 0.4867 (p) REVERT: AS 176 LEU cc_start: 0.8623 (mt) cc_final: 0.7577 (mt) REVERT: AS 208 ASP cc_start: 0.7663 (m-30) cc_final: 0.7334 (m-30) REVERT: AS 214 LYS cc_start: 0.7802 (pptt) cc_final: 0.7410 (ttmm) REVERT: AT 138 MET cc_start: 0.4049 (mtm) cc_final: 0.2733 (mtm) REVERT: AT 196 GLN cc_start: 0.6002 (tp40) cc_final: 0.5735 (tp40) REVERT: AU 34 ILE cc_start: 0.8714 (mt) cc_final: 0.8422 (mt) REVERT: AU 40 LEU cc_start: 0.7787 (tp) cc_final: 0.7567 (tp) REVERT: AU 41 VAL cc_start: 0.8888 (t) cc_final: 0.6318 (t) REVERT: AV 19 VAL cc_start: 0.9451 (p) cc_final: 0.9181 (p) REVERT: AV 29 LEU cc_start: 0.8475 (tp) cc_final: 0.8207 (tp) REVERT: AV 33 VAL cc_start: 0.8528 (t) cc_final: 0.7835 (t) REVERT: AV 34 ILE cc_start: 0.9194 (pt) cc_final: 0.8559 (pt) REVERT: AV 51 ILE cc_start: 0.8448 (mm) cc_final: 0.7589 (mm) REVERT: AV 133 LYS cc_start: 0.8127 (ttmm) cc_final: 0.7514 (ttmm) REVERT: AV 136 LYS cc_start: 0.8775 (tmmt) cc_final: 0.7811 (ttpp) REVERT: AV 138 MET cc_start: 0.7342 (ppp) cc_final: 0.6998 (ppp) REVERT: AV 171 MET cc_start: 0.8776 (mmp) cc_final: 0.8569 (mmp) REVERT: AV 173 ASN cc_start: 0.7451 (m-40) cc_final: 0.6001 (m-40) outliers start: 49 outliers final: 11 residues processed: 5267 average time/residue: 1.1636 time to fit residues: 10493.4877 Evaluate side-chains 3954 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 17 poor density : 3937 time to evaluate : 11.436 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1764 random chunks: chunk 1420 optimal weight: 6.9990 chunk 967 optimal weight: 7.9990 chunk 24 optimal weight: 0.7980 chunk 1269 optimal weight: 0.9980 chunk 703 optimal weight: 10.0000 chunk 1455 optimal weight: 5.9990 chunk 1178 optimal weight: 8.9990 chunk 2 optimal weight: 10.0000 chunk 870 optimal weight: 8.9990 chunk 1530 optimal weight: 10.0000 chunk 430 optimal weight: 0.9990 overall best weight: 3.1586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** D 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 117 ASN ** C 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 173 ASN ** E 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 66 GLN ** F 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 117 ASN A 154 GLN ** B 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 62 ASN ** B 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 173 ASN ** H 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 149 ASN ** H 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 66 GLN ** J 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 121 ASN ** K 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 154 GLN ** K 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 105 GLN O 111 GLN O 173 ASN O 183 GLN ** P 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 117 ASN Q 154 GLN ** Q 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 59 GLN ** T 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 66 GLN ** V 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 117 ASN ** W 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 173 ASN ** Y 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 154 GLN ** 2 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 137 ASN ** 3 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 173 ASN ** 4 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 173 ASN ** 6 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 105 GLN ** 6 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 121 ASN ** 8 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 154 GLN 8 199 GLN ** 9 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 173 ASN ** 9 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 173 ASN ** b 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 81 ASN ** d 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 137 ASN ** d 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 16 ASN ** f 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 117 ASN ** h 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 173 ASN i 37 GLN ** i 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 16 ASN k 31 GLN k 37 GLN k 154 GLN ** k 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 62 ASN ** l 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 149 ASN ** n 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 66 GLN ** p 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 154 GLN ** q 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 105 GLN u 111 GLN u 173 ASN ** u 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 117 ASN w 154 GLN ** w 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 196 GLN ** x 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 31 GLN ** y 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 16 ASN ** z 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 45 GLN z 59 GLN ** z 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 117 ASN ** z 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 111 GLN ** AA 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AB 66 GLN ** AB 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 117 ASN ** AC 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AF 173 ASN ** AG 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AH 66 GLN AH 81 ASN ** AH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 154 GLN ** AI 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 137 ASN ** AJ 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AL 173 ASN ** AM 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AM 105 GLN ** AM 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 154 GLN AO 199 GLN ** AP 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AP 173 ASN ** AP 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 37 GLN ** AR 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 63 GLN ** AR 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AU 16 ASN ** AV 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 72 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6556 moved from start: 0.9233 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.105 139006 Z= 0.253 Angle : 0.718 12.086 186606 Z= 0.392 Chirality : 0.037 0.226 21644 Planarity : 0.004 0.126 24962 Dihedral : 7.211 179.651 19390 Min Nonbonded Distance : 2.056 Molprobity Statistics. All-atom Clashscore : 25.69 Ramachandran Plot: Outliers : 0.16 % Allowed : 1.10 % Favored : 98.74 % Rotamer: Outliers : 0.38 % Allowed : 3.54 % Favored : 96.07 % 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: 2.70 (0.06), residues: 17808 helix: 2.03 (0.04), residues: 16716 sheet: None (None), residues: 0 loop : -2.02 (0.16), residues: 1092 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.001 TRPAE 71 PHE 0.035 0.001 PHE s 197 TYR 0.047 0.003 TYR j 104 ARG 0.023 0.001 ARG 7 49 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5066 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 54 poor density : 5012 time to evaluate : 11.725 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: 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revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 11 VAL cc_start: 0.9229 (t) cc_final: 0.8942 (p) REVERT: D 33 VAL cc_start: 0.8299 (t) cc_final: 0.7465 (t) REVERT: D 34 ILE cc_start: 0.9301 (mt) cc_final: 0.8877 (mt) REVERT: D 64 ASP cc_start: 0.8403 (p0) cc_final: 0.7531 (p0) REVERT: D 171 MET cc_start: 0.9327 (mmp) cc_final: 0.8534 (mmm) REVERT: C 16 ASN cc_start: 0.8141 (m-40) cc_final: 0.7850 (m-40) REVERT: C 38 GLU cc_start: 0.7867 (OUTLIER) cc_final: 0.7592 (pp20) REVERT: C 41 VAL cc_start: 0.8595 (p) cc_final: 0.8236 (p) REVERT: C 138 MET cc_start: 0.6606 (mmm) cc_final: 0.5868 (mmt) REVERT: C 140 GLN cc_start: 0.8283 (OUTLIER) cc_final: 0.7778 (pm20) REVERT: C 149 ASN cc_start: 0.8306 (m-40) cc_final: 0.7803 (m110) REVERT: E 57 THR cc_start: 0.9312 (p) cc_final: 0.8069 (p) REVERT: E 59 GLN cc_start: 0.7729 (mp10) cc_final: 0.7343 (mp10) REVERT: E 183 GLN cc_start: 0.9010 (OUTLIER) cc_final: 0.8382 (pm20) REVERT: F 122 LEU cc_start: 0.7315 (tp) cc_final: 0.6972 (tp) REVERT: A 137 ASN cc_start: 0.8197 (p0) cc_final: 0.7670 (p0) REVERT: A 178 MET cc_start: 0.4623 (mtt) cc_final: 0.4391 (mtt) REVERT: B 19 VAL cc_start: 0.9329 (p) cc_final: 0.9063 (p) REVERT: B 33 VAL cc_start: 0.8814 (t) cc_final: 0.8544 (t) REVERT: B 35 ASP cc_start: 0.6866 (t0) cc_final: 0.6386 (t0) REVERT: B 42 GLN cc_start: 0.8349 (mp-120) cc_final: 0.8106 (mp-120) REVERT: B 49 ARG cc_start: 0.7733 (tpp80) cc_final: 0.7388 (tpp-160) REVERT: B 125 LEU cc_start: 0.8568 (mt) cc_final: 0.8368 (mt) REVERT: B 136 LYS cc_start: 0.8748 (tmmt) cc_final: 0.8117 (ttpp) REVERT: B 139 LEU cc_start: 0.8309 (mt) cc_final: 0.7919 (mt) REVERT: B 193 ILE cc_start: 0.7120 (mp) cc_final: 0.6881 (mp) REVERT: G 11 VAL cc_start: 0.9087 (t) cc_final: 0.8759 (p) REVERT: G 118 LEU cc_start: 0.9092 (mt) cc_final: 0.8740 (mt) REVERT: G 171 MET cc_start: 0.9162 (mmp) cc_final: 0.7893 (mmp) REVERT: H 16 ASN cc_start: 0.8039 (m-40) cc_final: 0.7357 (m-40) REVERT: H 41 VAL cc_start: 0.8293 (p) cc_final: 0.8005 (p) REVERT: H 108 LEU cc_start: 0.9136 (mt) cc_final: 0.8844 (mt) REVERT: H 147 LYS cc_start: 0.8561 (ptpp) cc_final: 0.8073 (pttm) REVERT: H 171 MET cc_start: 0.7885 (mmm) cc_final: 0.7243 (tpp) REVERT: H 176 LEU cc_start: 0.8494 (mt) cc_final: 0.8190 (mt) REVERT: I 115 SER cc_start: 0.8831 (m) cc_final: 0.8553 (p) REVERT: I 128 LYS cc_start: 0.8251 (ptpp) cc_final: 0.7994 (ptpp) REVERT: I 129 ILE cc_start: 0.9041 (OUTLIER) cc_final: 0.8397 (mm) REVERT: I 214 LYS cc_start: 0.7565 (pptt) cc_final: 0.7245 (ttmm) REVERT: J 36 MET cc_start: 0.6540 (ptm) cc_final: 0.5881 (ptm) REVERT: K 40 LEU cc_start: 0.6754 (tp) cc_final: 0.6142 (tp) REVERT: K 43 LEU cc_start: 0.8850 (tp) cc_final: 0.8267 (tp) REVERT: K 114 MET cc_start: 0.7857 (ttt) cc_final: 0.7591 (ttt) REVERT: K 137 ASN cc_start: 0.8115 (p0) cc_final: 0.7783 (p0) REVERT: K 156 LEU cc_start: 0.7190 (pp) cc_final: 0.6883 (pp) REVERT: L 28 VAL cc_start: 0.9350 (m) cc_final: 0.8965 (m) REVERT: L 29 LEU cc_start: 0.8626 (tp) cc_final: 0.8100 (tp) REVERT: L 42 GLN cc_start: 0.8762 (mp-120) cc_final: 0.8332 (mp-120) REVERT: L 136 LYS cc_start: 0.8915 (tmmt) cc_final: 0.7930 (tmtt) REVERT: L 147 LYS cc_start: 0.8333 (pttm) cc_final: 0.8055 (pttm) REVERT: L 169 GLU cc_start: 0.7677 (mp0) cc_final: 0.6653 (mp0) REVERT: L 173 ASN cc_start: 0.7692 (m-40) cc_final: 0.6757 (m-40) REVERT: M 33 VAL cc_start: 0.8438 (t) cc_final: 0.8066 (t) REVERT: M 34 ILE cc_start: 0.8592 (mt) cc_final: 0.7813 (mt) REVERT: M 118 LEU cc_start: 0.8784 (mt) cc_final: 0.8436 (mt) REVERT: M 174 LYS cc_start: 0.9079 (ptpt) cc_final: 0.8759 (ptpt) REVERT: M 177 ASP cc_start: 0.7599 (t70) cc_final: 0.7320 (t70) REVERT: N 34 ILE cc_start: 0.8560 (mt) cc_final: 0.8284 (mt) REVERT: N 171 MET cc_start: 0.8107 (mmm) cc_final: 0.7324 (mmm) REVERT: O 57 THR cc_start: 0.8810 (p) cc_final: 0.8307 (p) REVERT: O 64 ASP cc_start: 0.7868 (m-30) cc_final: 0.7444 (m-30) REVERT: O 115 SER cc_start: 0.8780 (m) cc_final: 0.7596 (p) REVERT: O 149 ASN cc_start: 0.8052 (m110) cc_final: 0.7631 (m110) REVERT: Q 137 ASN cc_start: 0.8004 (p0) cc_final: 0.7671 (p0) REVERT: R 29 LEU cc_start: 0.8702 (tp) cc_final: 0.8324 (tp) REVERT: R 34 ILE cc_start: 0.8730 (pt) cc_final: 0.8234 (pt) REVERT: R 42 GLN cc_start: 0.8576 (mp-120) cc_final: 0.8127 (mp-120) REVERT: R 49 ARG cc_start: 0.7037 (tpp-160) cc_final: 0.5972 (tpp80) REVERT: R 51 ILE cc_start: 0.8127 (mm) cc_final: 0.7260 (mm) REVERT: R 114 MET cc_start: 0.6402 (ptp) cc_final: 0.6144 (ptp) REVERT: R 136 LYS cc_start: 0.8676 (tmmt) cc_final: 0.7983 (tmtt) REVERT: R 138 MET cc_start: 0.7605 (ppp) cc_final: 0.7054 (ppp) REVERT: R 168 PHE cc_start: 0.6674 (t80) cc_final: 0.5601 (t80) REVERT: R 169 GLU cc_start: 0.7747 (mp0) cc_final: 0.7513 (mp0) REVERT: S 33 VAL cc_start: 0.8213 (t) cc_final: 0.7049 (t) REVERT: S 34 ILE cc_start: 0.8615 (mt) cc_final: 0.8291 (mt) REVERT: S 171 MET cc_start: 0.9128 (mmp) cc_final: 0.8410 (mmp) REVERT: S 177 ASP cc_start: 0.7553 (t70) cc_final: 0.7049 (t70) REVERT: T 16 ASN cc_start: 0.7544 (m-40) cc_final: 0.7239 (t0) REVERT: T 18 LEU cc_start: 0.8926 (mm) cc_final: 0.8700 (mm) REVERT: T 43 LEU cc_start: 0.8851 (tp) cc_final: 0.8534 (tp) REVERT: T 120 ARG cc_start: 0.7846 (ptp-110) cc_final: 0.7456 (mtm-85) REVERT: T 135 LYS cc_start: 0.8285 (tptp) cc_final: 0.7656 (tptp) REVERT: T 147 LYS cc_start: 0.8387 (ptpp) cc_final: 0.7885 (pttm) REVERT: U 19 VAL cc_start: 0.8776 (t) cc_final: 0.8555 (t) REVERT: U 34 ILE cc_start: 0.8406 (mp) cc_final: 0.8183 (mp) REVERT: U 42 GLN cc_start: 0.7675 (pp30) cc_final: 0.7422 (pp30) REVERT: U 136 LYS cc_start: 0.7200 (tttp) cc_final: 0.6930 (tttt) REVERT: U 149 ASN cc_start: 0.7833 (m110) cc_final: 0.7420 (m110) REVERT: U 174 LYS cc_start: 0.8297 (ptpp) cc_final: 0.7940 (pttt) REVERT: W 14 ASN cc_start: 0.8137 (t0) cc_final: 0.7860 (t0) REVERT: W 34 ILE cc_start: 0.8904 (mt) cc_final: 0.8530 (mt) REVERT: W 121 ASN cc_start: 0.8681 (m-40) cc_final: 0.8341 (m-40) REVERT: W 137 ASN cc_start: 0.8294 (p0) cc_final: 0.7996 (p0) REVERT: X 16 ASN cc_start: 0.9046 (p0) cc_final: 0.8658 (p0) REVERT: X 34 ILE cc_start: 0.9281 (pt) cc_final: 0.9049 (pt) REVERT: X 38 GLU cc_start: 0.8305 (pp20) cc_final: 0.8000 (pp20) REVERT: X 42 GLN cc_start: 0.8795 (mp-120) cc_final: 0.8194 (mp-120) REVERT: X 114 MET cc_start: 0.6054 (ptp) cc_final: 0.5448 (ptp) REVERT: X 129 ILE cc_start: 0.9324 (mt) cc_final: 0.8578 (pt) REVERT: X 136 LYS cc_start: 0.8906 (tmmt) cc_final: 0.8272 (tmmt) REVERT: X 137 ASN cc_start: 0.7669 (m-40) cc_final: 0.7433 (m-40) REVERT: X 138 MET cc_start: 0.7491 (ppp) cc_final: 0.7231 (ppp) REVERT: X 147 LYS cc_start: 0.8816 (pttm) cc_final: 0.8594 (pttp) REVERT: Y 14 ASN cc_start: 0.8396 (p0) cc_final: 0.7593 (p0) REVERT: Y 15 LEU cc_start: 0.8077 (mm) cc_final: 0.7847 (mm) REVERT: Y 27 LYS cc_start: 0.7876 (tttt) cc_final: 0.7590 (tmtt) REVERT: Y 33 VAL cc_start: 0.8401 (t) cc_final: 0.8174 (t) REVERT: Y 38 GLU cc_start: 0.7774 (pt0) cc_final: 0.7137 (pt0) REVERT: Y 165 THR cc_start: 0.7715 (p) cc_final: 0.7416 (p) REVERT: Z 16 ASN cc_start: 0.7869 (m-40) cc_final: 0.7355 (m-40) REVERT: Z 40 LEU cc_start: 0.8980 (tp) cc_final: 0.8729 (tp) REVERT: Z 149 ASN cc_start: 0.8179 (m-40) cc_final: 0.7814 (m110) REVERT: 0 35 ASP cc_start: 0.7742 (m-30) cc_final: 0.7321 (m-30) REVERT: 0 57 THR cc_start: 0.8994 (p) cc_final: 0.8656 (p) REVERT: 0 133 LYS cc_start: 0.8569 (mmpt) cc_final: 0.8252 (mmmt) REVERT: 1 171 MET cc_start: 0.8118 (ptp) cc_final: 0.7734 (ptt) REVERT: 3 19 VAL cc_start: 0.9524 (p) cc_final: 0.9177 (p) REVERT: 3 29 LEU cc_start: 0.8871 (tp) cc_final: 0.8631 (tp) REVERT: 3 33 VAL cc_start: 0.8583 (t) cc_final: 0.8358 (t) REVERT: 3 35 ASP cc_start: 0.7969 (m-30) cc_final: 0.7691 (m-30) REVERT: 3 42 GLN cc_start: 0.9064 (mp-120) cc_final: 0.8334 (mp10) REVERT: 3 49 ARG cc_start: 0.7546 (tpp80) cc_final: 0.6751 (tpp80) REVERT: 3 114 MET cc_start: 0.6085 (ptp) cc_final: 0.5639 (ptp) REVERT: 3 133 LYS cc_start: 0.8468 (ttmm) cc_final: 0.7634 (ttmm) REVERT: 3 136 LYS cc_start: 0.8782 (tmmt) cc_final: 0.7937 (ttpp) REVERT: 3 149 ASN cc_start: 0.9162 (t0) cc_final: 0.8292 (t0) REVERT: 3 169 GLU cc_start: 0.7386 (mp0) cc_final: 0.7169 (mp0) REVERT: 3 173 ASN cc_start: 0.7931 (m-40) cc_final: 0.6408 (m-40) REVERT: 3 193 ILE cc_start: 0.7679 (mp) cc_final: 0.7432 (mp) REVERT: 4 11 VAL cc_start: 0.9155 (t) cc_final: 0.8456 (p) REVERT: 4 15 LEU cc_start: 0.8169 (mm) cc_final: 0.7832 (mm) REVERT: 4 33 VAL cc_start: 0.8686 (t) cc_final: 0.7948 (t) REVERT: 4 64 ASP cc_start: 0.8418 (p0) cc_final: 0.7936 (p0) REVERT: 4 138 MET cc_start: 0.5841 (mmt) cc_final: 0.5550 (tpp) REVERT: 4 171 MET cc_start: 0.9224 (mmp) cc_final: 0.8822 (mmm) REVERT: 4 177 ASP cc_start: 0.7756 (t70) cc_final: 0.7247 (t70) REVERT: 5 120 ARG cc_start: 0.7816 (ptp-110) cc_final: 0.7507 (mtm-85) REVERT: 5 133 LYS cc_start: 0.8525 (ttmm) cc_final: 0.8012 (ttmm) REVERT: 5 155 THR cc_start: 0.9045 (p) cc_final: 0.8837 (p) REVERT: 5 171 MET cc_start: 0.8015 (mmm) cc_final: 0.7456 (mmm) REVERT: 5 173 ASN cc_start: 0.7604 (m-40) cc_final: 0.6912 (m-40) REVERT: 5 176 LEU cc_start: 0.8261 (mt) cc_final: 0.7928 (mt) REVERT: 6 34 ILE cc_start: 0.8728 (mp) cc_final: 0.8143 (mp) REVERT: 6 36 MET cc_start: 0.7960 (ptp) cc_final: 0.7625 (ptt) REVERT: 6 43 LEU cc_start: 0.8816 (mt) cc_final: 0.8463 (mt) REVERT: 6 57 THR cc_start: 0.8600 (p) cc_final: 0.8252 (p) REVERT: 6 171 MET cc_start: 0.7448 (mmp) cc_final: 0.7172 (mmp) REVERT: 6 214 LYS cc_start: 0.8019 (pptt) cc_final: 0.7609 (ttmm) REVERT: 7 36 MET cc_start: 0.6992 (ptm) cc_final: 0.6502 (ptm) REVERT: 7 196 GLN cc_start: 0.5736 (tp40) cc_final: 0.5142 (tp40) REVERT: 8 35 ASP cc_start: 0.8648 (m-30) cc_final: 0.8444 (m-30) REVERT: 8 114 MET cc_start: 0.7619 (ttt) cc_final: 0.7240 (ttt) REVERT: 9 19 VAL cc_start: 0.9403 (p) cc_final: 0.9156 (p) REVERT: 9 29 LEU cc_start: 0.8951 (tp) cc_final: 0.8534 (tp) REVERT: 9 33 VAL cc_start: 0.8781 (t) cc_final: 0.8520 (t) REVERT: 9 133 LYS cc_start: 0.7999 (tttm) cc_final: 0.6725 (tttm) REVERT: 9 136 LYS cc_start: 0.8757 (tmmt) cc_final: 0.7887 (tmmt) REVERT: 9 137 ASN cc_start: 0.7595 (m-40) cc_final: 0.7216 (m-40) REVERT: 9 138 MET cc_start: 0.7514 (ppp) cc_final: 0.6727 (ppp) REVERT: 9 149 ASN cc_start: 0.9177 (t0) cc_final: 0.8826 (t0) REVERT: 9 168 PHE cc_start: 0.6496 (t80) cc_final: 0.6264 (t80) REVERT: a 11 VAL cc_start: 0.9101 (t) cc_final: 0.8569 (p) REVERT: a 33 VAL cc_start: 0.8579 (t) cc_final: 0.8244 (t) REVERT: a 171 MET cc_start: 0.9173 (mmp) cc_final: 0.8562 (mmp) REVERT: b 17 ASP cc_start: 0.7999 (p0) cc_final: 0.6607 (p0) REVERT: b 40 LEU cc_start: 0.8883 (tp) cc_final: 0.8674 (tp) REVERT: b 41 VAL cc_start: 0.9043 (p) cc_final: 0.8619 (p) REVERT: b 116 GLU cc_start: 0.8515 (OUTLIER) cc_final: 0.8257 (pm20) REVERT: b 147 LYS cc_start: 0.8617 (ptpp) cc_final: 0.7979 (pttm) REVERT: b 149 ASN cc_start: 0.8066 (m-40) cc_final: 0.7865 (m110) REVERT: c 19 VAL cc_start: 0.8974 (t) cc_final: 0.8690 (t) REVERT: c 34 ILE cc_start: 0.8641 (mm) cc_final: 0.8268 (mm) REVERT: c 214 LYS cc_start: 0.7783 (pptt) cc_final: 0.7334 (ttmm) REVERT: e 35 ASP cc_start: 0.8550 (m-30) cc_final: 0.8207 (m-30) REVERT: e 40 LEU cc_start: 0.7714 (tp) cc_final: 0.7296 (tp) REVERT: e 41 VAL cc_start: 0.8608 (t) cc_final: 0.6697 (t) REVERT: e 114 MET cc_start: 0.8240 (ttt) cc_final: 0.7511 (ttt) REVERT: e 137 ASN cc_start: 0.7981 (p0) cc_final: 0.7642 (p0) REVERT: f 16 ASN cc_start: 0.8812 (m110) cc_final: 0.8493 (m110) REVERT: f 19 VAL cc_start: 0.9370 (p) cc_final: 0.9080 (p) REVERT: f 34 ILE cc_start: 0.8892 (pt) cc_final: 0.8562 (pt) REVERT: f 42 GLN cc_start: 0.8591 (mp-120) cc_final: 0.7882 (mp10) REVERT: f 49 ARG cc_start: 0.7419 (tpp80) cc_final: 0.6846 (tpp80) REVERT: f 114 MET cc_start: 0.6302 (ptp) cc_final: 0.5502 (ptp) REVERT: f 128 LYS cc_start: 0.8497 (ttmt) cc_final: 0.8166 (ttmt) REVERT: f 136 LYS cc_start: 0.8525 (tmmt) cc_final: 0.8301 (ttpp) REVERT: f 168 PHE cc_start: 0.6917 (t80) cc_final: 0.6495 (t80) REVERT: f 171 MET cc_start: 0.8856 (mmp) cc_final: 0.8454 (mmp) REVERT: f 173 ASN cc_start: 0.6850 (m-40) cc_final: 0.6251 (m-40) REVERT: g 11 VAL cc_start: 0.9196 (t) cc_final: 0.8841 (p) REVERT: g 33 VAL cc_start: 0.8050 (t) cc_final: 0.7405 (t) REVERT: g 34 ILE cc_start: 0.8997 (mt) cc_final: 0.8314 (mt) REVERT: g 64 ASP cc_start: 0.8297 (p0) cc_final: 0.7438 (p0) REVERT: g 138 MET cc_start: 0.5939 (mmm) cc_final: 0.5669 (mmt) REVERT: g 156 LEU cc_start: 0.9000 (mt) cc_final: 0.8505 (pp) REVERT: g 171 MET cc_start: 0.9311 (mmp) cc_final: 0.8639 (mmm) REVERT: h 41 VAL cc_start: 0.8616 (p) cc_final: 0.8370 (p) REVERT: h 140 GLN cc_start: 0.8436 (OUTLIER) cc_final: 0.7881 (pm20) REVERT: h 147 LYS cc_start: 0.8382 (ptpp) cc_final: 0.8152 (pttm) REVERT: h 149 ASN cc_start: 0.8299 (m110) cc_final: 0.7863 (m110) REVERT: i 57 THR cc_start: 0.9040 (p) cc_final: 0.8399 (p) REVERT: i 64 ASP cc_start: 0.8391 (m-30) cc_final: 0.8066 (m-30) REVERT: i 183 GLN cc_start: 0.8930 (OUTLIER) cc_final: 0.8711 (pm20) REVERT: j 122 LEU cc_start: 0.7283 (tp) cc_final: 0.6903 (tp) REVERT: k 35 ASP cc_start: 0.8372 (m-30) cc_final: 0.8130 (m-30) REVERT: k 137 ASN cc_start: 0.8365 (p0) cc_final: 0.7928 (p0) REVERT: k 155 THR cc_start: 0.7272 (t) cc_final: 0.6919 (t) REVERT: l 19 VAL cc_start: 0.9308 (p) cc_final: 0.9013 (p) REVERT: l 29 LEU cc_start: 0.8743 (tp) cc_final: 0.8522 (tp) REVERT: l 33 VAL cc_start: 0.8590 (t) cc_final: 0.8325 (t) REVERT: l 35 ASP cc_start: 0.7303 (t0) cc_final: 0.6414 (t0) REVERT: l 129 ILE cc_start: 0.8964 (mt) cc_final: 0.8700 (pt) REVERT: l 136 LYS cc_start: 0.8920 (tmmt) cc_final: 0.8320 (ttpp) REVERT: l 139 LEU cc_start: 0.8290 (mt) cc_final: 0.8056 (mt) REVERT: l 147 LYS cc_start: 0.9003 (pttm) cc_final: 0.8711 (pttt) REVERT: l 173 ASN cc_start: 0.7216 (m-40) cc_final: 0.6559 (m-40) REVERT: l 193 ILE cc_start: 0.7361 (mp) cc_final: 0.6953 (mp) REVERT: m 11 VAL cc_start: 0.9111 (t) cc_final: 0.8809 (p) REVERT: m 139 LEU cc_start: 0.7671 (tp) cc_final: 0.7462 (tp) REVERT: m 171 MET cc_start: 0.9179 (mmp) cc_final: 0.8199 (mmp) REVERT: n 16 ASN cc_start: 0.7997 (m-40) cc_final: 0.7739 (t0) REVERT: n 27 LYS cc_start: 0.6981 (mtpt) cc_final: 0.6674 (tttt) REVERT: n 41 VAL cc_start: 0.8507 (p) cc_final: 0.8048 (p) REVERT: n 147 LYS cc_start: 0.8485 (ptpp) cc_final: 0.7768 (ptpp) REVERT: o 149 ASN cc_start: 0.7963 (m110) cc_final: 0.7502 (m110) REVERT: o 183 GLN cc_start: 0.8636 (pt0) cc_final: 0.8400 (pt0) REVERT: o 214 LYS cc_start: 0.7608 (pptt) cc_final: 0.7323 (ttmm) REVERT: p 50 THR cc_start: 0.8397 (t) cc_final: 0.8178 (p) REVERT: q 41 VAL cc_start: 0.8747 (t) cc_final: 0.8061 (t) REVERT: q 114 MET cc_start: 0.7872 (ttt) cc_final: 0.7648 (ttt) REVERT: q 137 ASN cc_start: 0.8181 (p0) cc_final: 0.7441 (p0) REVERT: q 156 LEU cc_start: 0.7204 (pp) cc_final: 0.6995 (pp) REVERT: r 33 VAL cc_start: 0.8700 (t) cc_final: 0.8499 (t) REVERT: r 34 ILE cc_start: 0.8739 (pt) cc_final: 0.8514 (pt) REVERT: r 116 GLU cc_start: 0.6506 (pt0) cc_final: 0.5632 (pt0) REVERT: r 125 LEU cc_start: 0.8421 (mt) cc_final: 0.8182 (mt) REVERT: r 129 ILE cc_start: 0.8879 (mt) cc_final: 0.7589 (mt) REVERT: r 136 LYS cc_start: 0.9019 (tmmt) cc_final: 0.8271 (ttpp) REVERT: r 169 GLU cc_start: 0.7738 (mp0) cc_final: 0.6865 (mp0) REVERT: r 171 MET cc_start: 0.8687 (mmp) cc_final: 0.8402 (mmp) REVERT: s 33 VAL cc_start: 0.8432 (t) cc_final: 0.8128 (t) REVERT: s 34 ILE cc_start: 0.8545 (mt) cc_final: 0.7819 (mt) REVERT: s 118 LEU cc_start: 0.8754 (mt) cc_final: 0.8438 (mt) REVERT: s 171 MET cc_start: 0.9317 (mmp) cc_final: 0.8629 (mmm) REVERT: t 44 ARG cc_start: 0.7918 (mtp-110) cc_final: 0.7500 (mtp-110) REVERT: t 120 ARG cc_start: 0.7742 (ptp-110) cc_final: 0.7178 (mtm-85) REVERT: t 139 LEU cc_start: 0.8292 (mt) cc_final: 0.8080 (mt) REVERT: t 171 MET cc_start: 0.8182 (mmm) cc_final: 0.7475 (mmm) REVERT: u 19 VAL cc_start: 0.9138 (t) cc_final: 0.8928 (t) REVERT: u 57 THR cc_start: 0.8748 (p) cc_final: 0.8275 (p) REVERT: u 64 ASP cc_start: 0.7958 (m-30) cc_final: 0.7464 (m-30) REVERT: u 115 SER cc_start: 0.8928 (m) cc_final: 0.8351 (p) REVERT: u 129 ILE cc_start: 0.9390 (OUTLIER) cc_final: 0.9183 (pt) REVERT: u 149 ASN cc_start: 0.8041 (m110) cc_final: 0.7529 (m110) REVERT: w 125 LEU cc_start: 0.8424 (tp) cc_final: 0.8156 (tp) REVERT: w 137 ASN cc_start: 0.8033 (p0) cc_final: 0.7675 (p0) REVERT: x 19 VAL cc_start: 0.9448 (p) cc_final: 0.9218 (p) REVERT: x 29 LEU cc_start: 0.8632 (tp) cc_final: 0.8386 (tp) REVERT: x 33 VAL cc_start: 0.9149 (t) cc_final: 0.8880 (t) REVERT: x 34 ILE cc_start: 0.8786 (pt) cc_final: 0.8142 (pt) REVERT: x 42 GLN cc_start: 0.8590 (mp-120) cc_final: 0.8143 (mp-120) REVERT: x 49 ARG cc_start: 0.7008 (tpp-160) cc_final: 0.5808 (tpp80) REVERT: x 51 ILE cc_start: 0.8142 (mm) cc_final: 0.7322 (mm) REVERT: x 114 MET cc_start: 0.6318 (ptp) cc_final: 0.6074 (ptp) REVERT: x 136 LYS cc_start: 0.8626 (tmmt) cc_final: 0.8021 (tmtt) REVERT: x 138 MET cc_start: 0.7308 (ppp) cc_final: 0.6843 (ppp) REVERT: x 168 PHE cc_start: 0.6799 (t80) cc_final: 0.6465 (t80) REVERT: x 169 GLU cc_start: 0.7684 (mp0) cc_final: 0.7459 (mp0) REVERT: x 171 MET cc_start: 0.8945 (mmp) cc_final: 0.8732 (mmp) REVERT: x 173 ASN cc_start: 0.7175 (m-40) cc_final: 0.6964 (m-40) REVERT: y 33 VAL cc_start: 0.8235 (t) cc_final: 0.7046 (t) REVERT: y 34 ILE cc_start: 0.8661 (mt) cc_final: 0.8305 (mt) REVERT: y 171 MET cc_start: 0.9221 (mmp) cc_final: 0.8215 (mmm) REVERT: y 177 ASP cc_start: 0.7482 (t70) cc_final: 0.7110 (t70) REVERT: z 16 ASN cc_start: 0.7782 (m110) cc_final: 0.7340 (t0) REVERT: z 18 LEU cc_start: 0.8862 (mm) cc_final: 0.8640 (mm) REVERT: z 43 LEU cc_start: 0.9002 (tp) cc_final: 0.8687 (tp) REVERT: z 135 LYS cc_start: 0.8255 (tptp) cc_final: 0.7457 (tptp) REVERT: z 139 LEU cc_start: 0.8090 (mt) cc_final: 0.7868 (mt) REVERT: z 171 MET cc_start: 0.6462 (tpt) cc_final: 0.5779 (tpt) REVERT: z 173 ASN cc_start: 0.7657 (m110) cc_final: 0.6564 (m110) REVERT: AA 34 ILE cc_start: 0.8376 (mp) cc_final: 0.8155 (mp) REVERT: AA 149 ASN cc_start: 0.7857 (m110) cc_final: 0.7588 (m110) REVERT: AA 171 MET cc_start: 0.7761 (mmp) cc_final: 0.7513 (mmp) REVERT: AA 174 LYS cc_start: 0.8280 (ptpp) cc_final: 0.7710 (ptpt) REVERT: AC 14 ASN cc_start: 0.8140 (t0) cc_final: 0.7858 (t0) REVERT: AC 34 ILE cc_start: 0.8892 (mt) cc_final: 0.8493 (mt) REVERT: AC 121 ASN cc_start: 0.8677 (m-40) cc_final: 0.8336 (m-40) REVERT: AC 137 ASN cc_start: 0.8310 (p0) cc_final: 0.7997 (p0) REVERT: AD 29 LEU cc_start: 0.8646 (tp) cc_final: 0.8400 (tp) REVERT: AD 33 VAL cc_start: 0.8278 (t) cc_final: 0.7975 (t) REVERT: AD 38 GLU cc_start: 0.8299 (pp20) cc_final: 0.8026 (pp20) REVERT: AD 42 GLN cc_start: 0.8863 (mp-120) cc_final: 0.8275 (mp-120) REVERT: AD 114 MET cc_start: 0.5963 (ptp) cc_final: 0.5454 (ptp) REVERT: AD 129 ILE cc_start: 0.9330 (mt) cc_final: 0.8588 (pt) REVERT: AD 136 LYS cc_start: 0.8848 (tmmt) cc_final: 0.8242 (ttpp) REVERT: AD 138 MET cc_start: 0.7627 (ppp) cc_final: 0.7332 (ppp) REVERT: AD 147 LYS cc_start: 0.8597 (pttm) cc_final: 0.8323 (pttp) REVERT: AE 14 ASN cc_start: 0.8413 (p0) cc_final: 0.7558 (p0) REVERT: AE 27 LYS cc_start: 0.7853 (tttt) cc_final: 0.7579 (tmtt) REVERT: AE 33 VAL cc_start: 0.8427 (t) cc_final: 0.8162 (t) REVERT: AE 165 THR cc_start: 0.7764 (p) cc_final: 0.7466 (p) REVERT: AF 16 ASN cc_start: 0.7903 (m-40) cc_final: 0.7323 (m-40) REVERT: AF 40 LEU cc_start: 0.8992 (tp) cc_final: 0.8642 (tp) REVERT: AF 41 VAL cc_start: 0.8946 (p) cc_final: 0.8559 (p) REVERT: AF 149 ASN cc_start: 0.8255 (m-40) cc_final: 0.7843 (m110) REVERT: AG 19 VAL cc_start: 0.8990 (t) cc_final: 0.8781 (t) REVERT: AG 35 ASP cc_start: 0.7722 (m-30) cc_final: 0.7303 (m-30) REVERT: AG 57 THR cc_start: 0.8990 (p) cc_final: 0.8643 (p) REVERT: AG 133 LYS cc_start: 0.8473 (mmpt) cc_final: 0.8184 (mmmt) REVERT: AH 171 MET cc_start: 0.8101 (ptp) cc_final: 0.7709 (ptt) REVERT: AI 156 LEU cc_start: 0.7180 (pp) cc_final: 0.6948 (pp) REVERT: AJ 19 VAL cc_start: 0.9550 (p) cc_final: 0.9201 (p) REVERT: AJ 33 VAL cc_start: 0.8539 (t) cc_final: 0.8247 (t) REVERT: AJ 42 GLN cc_start: 0.9040 (mp-120) cc_final: 0.8336 (mp10) REVERT: AJ 49 ARG cc_start: 0.7565 (tpp80) cc_final: 0.6835 (tpp80) REVERT: AJ 114 MET cc_start: 0.6076 (ptp) cc_final: 0.5709 (ptp) REVERT: AJ 133 LYS cc_start: 0.8551 (ttmm) cc_final: 0.7714 (ttmm) REVERT: AJ 136 LYS cc_start: 0.8685 (tmmt) cc_final: 0.7839 (ttpp) REVERT: AJ 149 ASN cc_start: 0.9121 (t0) cc_final: 0.8276 (t0) REVERT: AJ 171 MET cc_start: 0.8708 (mmp) cc_final: 0.8479 (mmm) REVERT: AJ 174 LYS cc_start: 0.7777 (ptpp) cc_final: 0.7554 (ptpt) REVERT: AJ 193 ILE cc_start: 0.7606 (mp) cc_final: 0.7332 (mp) REVERT: AK 11 VAL cc_start: 0.9160 (t) cc_final: 0.8483 (p) REVERT: AK 33 VAL cc_start: 0.8648 (t) cc_final: 0.7881 (t) REVERT: AK 64 ASP cc_start: 0.8476 (p0) cc_final: 0.7946 (p0) REVERT: AK 138 MET cc_start: 0.5758 (mmt) cc_final: 0.5532 (tpp) REVERT: AK 155 THR cc_start: 0.8879 (p) cc_final: 0.8663 (p) REVERT: AK 171 MET cc_start: 0.9213 (mmp) cc_final: 0.8825 (mmm) REVERT: AK 177 ASP cc_start: 0.7724 (t70) cc_final: 0.7246 (t70) REVERT: AL 55 LYS cc_start: 0.8958 (mtmt) cc_final: 0.8364 (mtpt) REVERT: AL 108 LEU cc_start: 0.9013 (mt) cc_final: 0.8639 (mt) REVERT: AL 133 LYS cc_start: 0.8497 (ttmm) cc_final: 0.8023 (ttmm) REVERT: AL 171 MET cc_start: 0.8002 (mmm) cc_final: 0.7371 (mmm) REVERT: AL 173 ASN cc_start: 0.7692 (m-40) cc_final: 0.7001 (m-40) REVERT: AL 176 LEU cc_start: 0.8267 (mt) cc_final: 0.7976 (mt) REVERT: AM 34 ILE cc_start: 0.8830 (mp) cc_final: 0.8160 (mp) REVERT: AM 36 MET cc_start: 0.8018 (ptp) cc_final: 0.7770 (ptt) REVERT: AM 43 LEU cc_start: 0.8830 (mt) cc_final: 0.8505 (mt) REVERT: AM 57 THR cc_start: 0.8585 (p) cc_final: 0.8218 (p) REVERT: AM 97 LEU cc_start: 0.8905 (mt) cc_final: 0.8653 (mt) REVERT: AM 128 LYS cc_start: 0.8465 (pttm) cc_final: 0.8174 (pttp) REVERT: AM 171 MET cc_start: 0.7484 (mmp) cc_final: 0.7122 (mmp) REVERT: AM 214 LYS cc_start: 0.8024 (pptt) cc_final: 0.7625 (ttmm) REVERT: AN 122 LEU cc_start: 0.8039 (tp) cc_final: 0.7627 (tp) REVERT: AN 138 MET cc_start: 0.4762 (ptp) cc_final: 0.4331 (ptm) REVERT: AN 196 GLN cc_start: 0.5775 (tp40) cc_final: 0.5163 (tp40) REVERT: AO 35 ASP cc_start: 0.8293 (m-30) cc_final: 0.8020 (m-30) REVERT: AO 41 VAL cc_start: 0.8851 (t) cc_final: 0.8423 (t) REVERT: AP 19 VAL cc_start: 0.9375 (p) cc_final: 0.9140 (p) REVERT: AP 29 LEU cc_start: 0.9029 (tp) cc_final: 0.8811 (tp) REVERT: AP 35 ASP cc_start: 0.7671 (m-30) cc_final: 0.7394 (m-30) REVERT: AP 49 ARG cc_start: 0.7729 (tpp80) cc_final: 0.7339 (tpp80) REVERT: AP 133 LYS cc_start: 0.8012 (tttm) cc_final: 0.6771 (tttm) REVERT: AP 136 LYS cc_start: 0.8754 (tmmt) cc_final: 0.7729 (tmmt) REVERT: AP 137 ASN cc_start: 0.7747 (m-40) cc_final: 0.7223 (m-40) REVERT: AP 138 MET cc_start: 0.7559 (ppp) cc_final: 0.6772 (ppp) REVERT: AP 149 ASN cc_start: 0.9229 (t0) cc_final: 0.8917 (t0) REVERT: AQ 11 VAL cc_start: 0.9229 (t) cc_final: 0.8794 (p) REVERT: AQ 33 VAL cc_start: 0.8595 (t) cc_final: 0.8246 (t) REVERT: AQ 34 ILE cc_start: 0.8861 (mt) cc_final: 0.8451 (mt) REVERT: AQ 171 MET cc_start: 0.9170 (mmp) cc_final: 0.8522 (mmp) REVERT: AR 17 ASP cc_start: 0.7979 (p0) cc_final: 0.6594 (p0) REVERT: AR 40 LEU cc_start: 0.8873 (tp) cc_final: 0.8591 (tp) REVERT: AR 41 VAL cc_start: 0.9098 (p) cc_final: 0.8614 (p) REVERT: AR 43 LEU cc_start: 0.8762 (tp) cc_final: 0.8539 (tp) REVERT: AR 55 LYS cc_start: 0.9178 (mtmt) cc_final: 0.8791 (mtpt) REVERT: AR 138 MET cc_start: 0.7051 (mmm) cc_final: 0.6548 (mmm) REVERT: AR 147 LYS cc_start: 0.8543 (ptpp) cc_final: 0.8106 (pttm) REVERT: AR 173 ASN cc_start: 0.7615 (m110) cc_final: 0.7116 (m110) REVERT: AS 19 VAL cc_start: 0.8896 (t) cc_final: 0.8633 (t) REVERT: AS 34 ILE cc_start: 0.8620 (mm) cc_final: 0.8292 (mm) REVERT: AS 56 ARG cc_start: 0.7161 (tpm170) cc_final: 0.6763 (mmm160) REVERT: AS 64 ASP cc_start: 0.8043 (m-30) cc_final: 0.7410 (m-30) REVERT: AS 214 LYS cc_start: 0.7772 (pptt) cc_final: 0.7379 (ttmm) REVERT: AT 36 MET cc_start: 0.6141 (ptm) cc_final: 0.5511 (ptm) REVERT: AT 58 GLU cc_start: 0.8706 (OUTLIER) cc_final: 0.8421 (pm20) REVERT: AT 122 LEU cc_start: 0.7617 (tp) cc_final: 0.7313 (tp) REVERT: AU 35 ASP cc_start: 0.8527 (m-30) cc_final: 0.8182 (m-30) REVERT: AU 36 MET cc_start: 0.6982 (ppp) cc_final: 0.6664 (ppp) REVERT: AU 41 VAL cc_start: 0.8662 (t) cc_final: 0.6900 (t) REVERT: AV 33 VAL cc_start: 0.8614 (t) cc_final: 0.8153 (t) REVERT: AV 42 GLN cc_start: 0.8566 (mp-120) cc_final: 0.7843 (mp10) REVERT: AV 49 ARG cc_start: 0.7306 (tpp80) cc_final: 0.6790 (tpp80) REVERT: AV 136 LYS cc_start: 0.8674 (tmmt) cc_final: 0.7824 (ttpp) REVERT: AV 173 ASN cc_start: 0.6983 (m-40) cc_final: 0.6776 (m-40) outliers start: 54 outliers final: 11 residues processed: 5041 average time/residue: 1.1460 time to fit residues: 9918.6599 Evaluate side-chains 3878 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 20 poor density : 3858 time to evaluate : 11.593 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1764 random chunks: chunk 573 optimal weight: 5.9990 chunk 1535 optimal weight: 3.9990 chunk 337 optimal weight: 4.9990 chunk 1001 optimal weight: 2.9990 chunk 420 optimal weight: 50.0000 chunk 1706 optimal weight: 2.9990 chunk 1416 optimal weight: 1.9990 chunk 790 optimal weight: 4.9990 chunk 141 optimal weight: 0.9980 chunk 564 optimal weight: 3.9990 chunk 896 optimal weight: 3.9990 overall best weight: 2.5988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** D 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 117 ASN ** C 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 16 ASN A 117 ASN ** A 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 154 GLN ** B 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 173 ASN ** I 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 140 GLN ** K 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 154 GLN ** L 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 62 ASN L 154 GLN ** M 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 149 ASN ** N 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 173 ASN ** P 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 117 ASN Q 121 ASN ** Q 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 154 GLN ** R 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 154 GLN ** S 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 59 GLN ** T 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 173 ASN ** T 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 117 ASN W 121 ASN ** W 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 173 ASN ** 0 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 111 GLN ** 1 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 154 GLN ** 2 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 154 GLN ** 4 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 140 GLN 6 149 ASN 6 173 ASN ** 7 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 121 ASN ** 7 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 154 GLN 8 173 ASN 8 199 GLN ** 9 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 14 ASN ** b 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 173 ASN ** b 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 137 ASN d 149 ASN ** d 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 16 ASN ** e 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 173 ASN ** g 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 117 ASN h 149 ASN ** h 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 199 GLN ** j 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 154 GLN ** l 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 173 ASN ** o 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 137 ASN ** p 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 16 ASN ** q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 154 GLN ** r 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 62 ASN r 154 GLN r 183 GLN ** s 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 149 ASN t 173 ASN ** u 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 117 ASN ** w 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 154 GLN ** w 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 154 GLN ** y 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 137 ASN ** z 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 199 GLN ** AB 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 117 ASN ** AC 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 173 ASN AD 183 GLN ** AE 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 154 GLN ** AI 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 154 GLN AJ 173 ASN ** AK 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AM 140 GLN AM 149 ASN AM 173 ASN AN 45 GLN ** AN 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 121 ASN AO 154 GLN AO 173 ASN AO 199 GLN ** AP 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 173 ASN AR 14 ASN ** AR 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 63 GLN ** AR 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 149 ASN ** AR 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AT 121 ASN ** AT 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AU 121 ASN ** AV 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 173 ASN Total number of N/Q/H flips: 75 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6559 moved from start: 0.9652 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.086 139006 Z= 0.237 Angle : 0.729 11.474 186606 Z= 0.400 Chirality : 0.038 0.214 21644 Planarity : 0.004 0.076 24962 Dihedral : 7.184 176.854 19390 Min Nonbonded Distance : 1.978 Molprobity Statistics. All-atom Clashscore : 24.29 Ramachandran Plot: Outliers : 0.16 % Allowed : 1.06 % Favored : 98.78 % Rotamer: Outliers : 0.19 % Allowed : 2.84 % Favored : 96.98 % 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: 2.58 (0.06), residues: 17808 helix: 1.98 (0.04), residues: 16618 sheet: None (None), residues: 0 loop : -2.19 (0.14), residues: 1190 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.015 0.001 TRPAE 71 PHE 0.030 0.002 PHE a 197 TYR 0.041 0.003 TYR Z 104 ARG 0.017 0.001 ARG j 49 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4956 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 26 poor density : 4930 time to evaluate : 12.046 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 11 VAL cc_start: 0.9104 (t) cc_final: 0.8790 (p) REVERT: D 33 VAL cc_start: 0.8088 (t) cc_final: 0.7209 (t) REVERT: D 34 ILE cc_start: 0.8977 (mt) cc_final: 0.8525 (mt) REVERT: D 64 ASP cc_start: 0.8330 (p0) cc_final: 0.7691 (p0) REVERT: D 138 MET cc_start: 0.5938 (mmt) cc_final: 0.5590 (mmt) REVERT: D 171 MET cc_start: 0.9355 (mmp) cc_final: 0.8452 (mmm) REVERT: C 16 ASN cc_start: 0.7901 (m-40) cc_final: 0.7660 (m-40) REVERT: C 26 GLU cc_start: 0.4823 (mm-30) cc_final: 0.4311 (tp30) REVERT: C 41 VAL cc_start: 0.8466 (p) cc_final: 0.8125 (p) REVERT: C 138 MET cc_start: 0.7369 (mmm) cc_final: 0.7051 (mmt) REVERT: A 137 ASN cc_start: 0.8201 (p0) cc_final: 0.7749 (p0) REVERT: B 19 VAL cc_start: 0.9190 (p) cc_final: 0.8975 (p) REVERT: B 33 VAL cc_start: 0.8836 (t) cc_final: 0.8139 (t) REVERT: B 36 MET cc_start: 0.7315 (ptp) cc_final: 0.7090 (ptp) REVERT: B 42 GLN cc_start: 0.8649 (mp-120) cc_final: 0.8364 (mp-120) REVERT: B 49 ARG cc_start: 0.7354 (tpp80) cc_final: 0.6547 (tpp80) REVERT: B 136 LYS cc_start: 0.8674 (tmmt) cc_final: 0.7907 (ttpp) REVERT: B 147 LYS cc_start: 0.8312 (pttm) cc_final: 0.8026 (pttm) REVERT: B 188 LEU cc_start: 0.9037 (tt) cc_final: 0.8732 (tt) REVERT: B 193 ILE cc_start: 0.7428 (mp) cc_final: 0.7095 (mp) REVERT: G 11 VAL cc_start: 0.9239 (t) cc_final: 0.8947 (p) REVERT: G 69 LYS cc_start: 0.8637 (ptpp) cc_final: 0.8223 (ptpp) REVERT: G 122 LEU cc_start: 0.8653 (tp) cc_final: 0.8437 (tp) REVERT: H 16 ASN cc_start: 0.8154 (m-40) cc_final: 0.7274 (m-40) REVERT: H 41 VAL cc_start: 0.8431 (p) cc_final: 0.8142 (p) REVERT: H 134 THR cc_start: 0.9183 (t) cc_final: 0.8961 (t) REVERT: H 147 LYS cc_start: 0.8444 (ptpp) cc_final: 0.8195 (ptpp) REVERT: H 171 MET cc_start: 0.7713 (mmm) cc_final: 0.6877 (tpp) REVERT: I 64 ASP cc_start: 0.8015 (m-30) cc_final: 0.7388 (m-30) REVERT: I 115 SER cc_start: 0.8789 (m) cc_final: 0.8488 (p) REVERT: I 149 ASN cc_start: 0.7964 (m110) cc_final: 0.7743 (m110) REVERT: I 171 MET cc_start: 0.8183 (mmp) cc_final: 0.7951 (mmm) REVERT: I 214 LYS cc_start: 0.7804 (pptt) cc_final: 0.7316 (ttmm) REVERT: K 35 ASP cc_start: 0.8247 (m-30) cc_final: 0.8011 (m-30) REVERT: K 40 LEU cc_start: 0.7102 (tp) cc_final: 0.6471 (tp) REVERT: K 41 VAL cc_start: 0.8795 (t) cc_final: 0.8479 (t) REVERT: K 43 LEU cc_start: 0.8732 (tp) cc_final: 0.8286 (tp) REVERT: K 137 ASN cc_start: 0.8149 (p0) cc_final: 0.7927 (p0) REVERT: K 182 SER cc_start: 0.7169 (p) cc_final: 0.6774 (t) REVERT: L 28 VAL cc_start: 0.9245 (m) cc_final: 0.9007 (m) REVERT: L 33 VAL cc_start: 0.8816 (t) cc_final: 0.8454 (t) REVERT: L 34 ILE cc_start: 0.9267 (pt) cc_final: 0.9041 (pt) REVERT: L 38 GLU cc_start: 0.8340 (pp20) cc_final: 0.8104 (pp20) REVERT: L 42 GLN cc_start: 0.8755 (mp-120) cc_final: 0.8374 (mp-120) REVERT: L 129 ILE cc_start: 0.8984 (mt) cc_final: 0.7517 (mt) REVERT: L 136 LYS cc_start: 0.8889 (tmmt) cc_final: 0.8043 (ttpp) REVERT: L 147 LYS cc_start: 0.8384 (pttm) cc_final: 0.8181 (pttm) REVERT: L 173 ASN cc_start: 0.7569 (m-40) cc_final: 0.6876 (m-40) REVERT: M 33 VAL cc_start: 0.8617 (t) cc_final: 0.8115 (t) REVERT: M 34 ILE cc_start: 0.8581 (mt) cc_final: 0.7856 (mt) REVERT: M 171 MET cc_start: 0.9032 (mmp) cc_final: 0.7969 (mmp) REVERT: M 174 LYS cc_start: 0.9073 (ptpt) cc_final: 0.8404 (ptpt) REVERT: M 177 ASP cc_start: 0.7187 (t70) cc_final: 0.6905 (t70) REVERT: N 55 LYS cc_start: 0.9185 (mtmt) cc_final: 0.8774 (tptp) REVERT: N 120 ARG cc_start: 0.7617 (ptp-110) cc_final: 0.7166 (mtm-85) REVERT: N 171 MET cc_start: 0.8011 (mmm) cc_final: 0.7417 (mmm) REVERT: O 60 ARG cc_start: 0.7472 (ptp-110) cc_final: 0.7059 (ptp90) REVERT: O 115 SER cc_start: 0.8883 (m) cc_final: 0.8557 (p) REVERT: O 128 LYS cc_start: 0.8487 (ptpp) cc_final: 0.8204 (ptpp) REVERT: O 129 ILE cc_start: 0.9406 (mp) cc_final: 0.9105 (pt) REVERT: Q 137 ASN cc_start: 0.8110 (p0) cc_final: 0.7763 (p0) REVERT: R 33 VAL cc_start: 0.9301 (t) cc_final: 0.9066 (t) REVERT: R 34 ILE cc_start: 0.8711 (pt) cc_final: 0.8079 (pt) REVERT: R 49 ARG cc_start: 0.6944 (tpp-160) cc_final: 0.6373 (tpp80) REVERT: R 51 ILE cc_start: 0.8287 (mm) cc_final: 0.7846 (mm) REVERT: R 114 MET cc_start: 0.6508 (ptp) cc_final: 0.6213 (ptp) REVERT: R 136 LYS cc_start: 0.8974 (tmmt) cc_final: 0.8203 (tmtt) REVERT: R 138 MET cc_start: 0.7888 (ppp) cc_final: 0.7218 (ppp) REVERT: R 172 GLU cc_start: 0.7008 (pm20) cc_final: 0.6456 (pm20) REVERT: S 33 VAL cc_start: 0.8043 (t) cc_final: 0.7818 (t) REVERT: S 138 MET cc_start: 0.6113 (tpt) cc_final: 0.5825 (tpt) REVERT: S 171 MET cc_start: 0.9081 (mmp) cc_final: 0.8281 (mmp) REVERT: S 177 ASP cc_start: 0.7587 (t70) cc_final: 0.6994 (t70) REVERT: T 43 LEU cc_start: 0.8822 (tp) cc_final: 0.8546 (tp) REVERT: T 120 ARG cc_start: 0.7790 (ptp-110) cc_final: 0.7388 (mtm-85) REVERT: T 171 MET cc_start: 0.6225 (tpt) cc_final: 0.5420 (tpt) REVERT: T 173 ASN cc_start: 0.7418 (m-40) cc_final: 0.7015 (m-40) REVERT: U 27 LYS cc_start: 0.8221 (mtpt) cc_final: 0.7940 (mtpt) REVERT: U 55 LYS cc_start: 0.8387 (mmpt) cc_final: 0.8171 (mmmt) REVERT: U 57 THR cc_start: 0.8930 (p) cc_final: 0.7806 (p) REVERT: U 149 ASN cc_start: 0.7410 (m110) cc_final: 0.7183 (m110) REVERT: U 174 LYS cc_start: 0.8512 (ptpp) cc_final: 0.8305 (ptpt) REVERT: V 196 GLN cc_start: 0.6051 (tp40) cc_final: 0.5729 (tp40) REVERT: W 34 ILE cc_start: 0.8949 (mt) cc_final: 0.8566 (mt) REVERT: W 121 ASN cc_start: 0.8781 (m110) cc_final: 0.8458 (m110) REVERT: W 137 ASN cc_start: 0.8271 (p0) cc_final: 0.7990 (p0) REVERT: W 152 LEU cc_start: 0.8004 (pp) cc_final: 0.7479 (pp) REVERT: X 34 ILE cc_start: 0.9392 (pt) cc_final: 0.8715 (pt) REVERT: X 35 ASP cc_start: 0.7895 (t0) cc_final: 0.7162 (t0) REVERT: X 42 GLN cc_start: 0.8815 (mp-120) cc_final: 0.8155 (mp-120) REVERT: X 116 GLU cc_start: 0.7848 (pm20) cc_final: 0.6266 (pm20) REVERT: X 122 LEU cc_start: 0.7973 (tp) cc_final: 0.7578 (tp) REVERT: X 136 LYS cc_start: 0.8962 (tmmt) cc_final: 0.8529 (ttpp) REVERT: Y 33 VAL cc_start: 0.8460 (t) cc_final: 0.7861 (t) REVERT: Y 38 GLU cc_start: 0.7712 (pt0) cc_final: 0.7500 (pt0) REVERT: Y 122 LEU cc_start: 0.8943 (tp) cc_final: 0.7882 (tp) REVERT: Y 138 MET cc_start: 0.5792 (mmt) cc_final: 0.5188 (mmm) REVERT: Y 165 THR cc_start: 0.7709 (p) cc_final: 0.7474 (p) REVERT: Y 171 MET cc_start: 0.9040 (mmp) cc_final: 0.7864 (mmp) REVERT: Y 193 ILE cc_start: 0.6807 (pt) cc_final: 0.6568 (pt) REVERT: Z 3 LEU cc_start: 0.8007 (mt) cc_final: 0.7608 (mt) REVERT: Z 41 VAL cc_start: 0.8954 (p) cc_final: 0.8702 (p) REVERT: Z 149 ASN cc_start: 0.7920 (m-40) cc_final: 0.7553 (m110) REVERT: Z 156 LEU cc_start: 0.9019 (mp) cc_final: 0.8752 (pp) REVERT: Z 171 MET cc_start: 0.7352 (tpt) cc_final: 0.5977 (tpt) REVERT: 0 64 ASP cc_start: 0.7024 (t0) cc_final: 0.6794 (t0) REVERT: 0 133 LYS cc_start: 0.8205 (mmpt) cc_final: 0.7987 (mmmt) REVERT: 1 114 MET cc_start: 0.6870 (tpt) cc_final: 0.6621 (tpt) REVERT: 1 138 MET cc_start: 0.6883 (mtm) cc_final: 0.6363 (mtm) REVERT: 1 171 MET cc_start: 0.7923 (ptp) cc_final: 0.7666 (ptt) REVERT: 2 35 ASP cc_start: 0.8644 (m-30) cc_final: 0.8401 (m-30) REVERT: 3 19 VAL cc_start: 0.9399 (p) cc_final: 0.9105 (p) REVERT: 3 29 LEU cc_start: 0.8864 (tp) cc_final: 0.8578 (tp) REVERT: 3 40 LEU cc_start: 0.8676 (mt) cc_final: 0.8387 (mt) REVERT: 3 42 GLN cc_start: 0.9051 (mp-120) cc_final: 0.8478 (mp10) REVERT: 3 49 ARG cc_start: 0.7441 (tpp80) cc_final: 0.6699 (tpp80) REVERT: 3 133 LYS cc_start: 0.8380 (ttmm) cc_final: 0.7364 (ttmm) REVERT: 3 136 LYS cc_start: 0.8704 (tmmt) cc_final: 0.7470 (tmmt) REVERT: 3 137 ASN cc_start: 0.7766 (m-40) cc_final: 0.7429 (m-40) REVERT: 3 138 MET cc_start: 0.7457 (ppp) cc_final: 0.7235 (ppp) REVERT: 3 149 ASN cc_start: 0.8774 (t0) cc_final: 0.8452 (t0) REVERT: 4 11 VAL cc_start: 0.9202 (t) cc_final: 0.8328 (p) REVERT: 4 15 LEU cc_start: 0.8287 (mm) cc_final: 0.8025 (mm) REVERT: 4 33 VAL cc_start: 0.8642 (t) cc_final: 0.7904 (t) REVERT: 4 138 MET cc_start: 0.5948 (mmt) cc_final: 0.5698 (mmt) REVERT: 4 171 MET cc_start: 0.9176 (mmp) cc_final: 0.8650 (mmm) REVERT: 4 177 ASP cc_start: 0.7710 (t70) cc_final: 0.7244 (t70) REVERT: 5 27 LYS cc_start: 0.7055 (tttt) cc_final: 0.6398 (tttt) REVERT: 5 133 LYS cc_start: 0.8400 (ttmm) cc_final: 0.8035 (ttmm) REVERT: 5 171 MET cc_start: 0.7899 (mmm) cc_final: 0.7032 (mmm) REVERT: 5 173 ASN cc_start: 0.7458 (m-40) cc_final: 0.7007 (m-40) REVERT: 6 53 GLU cc_start: 0.7835 (tp30) cc_final: 0.7305 (tp30) REVERT: 6 97 LEU cc_start: 0.8893 (mt) cc_final: 0.8650 (mt) REVERT: 6 128 LYS cc_start: 0.8484 (pttp) cc_final: 0.8202 (pttp) REVERT: 6 214 LYS cc_start: 0.8139 (pptt) cc_final: 0.7774 (ttmm) REVERT: 7 41 VAL cc_start: 0.8822 (t) cc_final: 0.8084 (t) REVERT: 7 135 LYS cc_start: 0.7350 (tptt) cc_final: 0.6856 (tppt) REVERT: 8 35 ASP cc_start: 0.8492 (m-30) cc_final: 0.8290 (m-30) REVERT: 9 16 ASN cc_start: 0.8602 (m110) cc_final: 0.8163 (m110) REVERT: 9 19 VAL cc_start: 0.9302 (p) cc_final: 0.9064 (p) REVERT: 9 29 LEU cc_start: 0.8825 (tp) cc_final: 0.8363 (tp) REVERT: 9 33 VAL cc_start: 0.8973 (t) cc_final: 0.8746 (t) REVERT: 9 36 MET cc_start: 0.7937 (ptp) cc_final: 0.7577 (ptp) REVERT: 9 42 GLN cc_start: 0.8226 (mp10) cc_final: 0.7809 (mp10) REVERT: 9 51 ILE cc_start: 0.8191 (mm) cc_final: 0.7803 (mm) REVERT: 9 125 LEU cc_start: 0.8235 (mt) cc_final: 0.8019 (mt) REVERT: 9 133 LYS cc_start: 0.7935 (tttm) cc_final: 0.7361 (tttm) REVERT: 9 136 LYS cc_start: 0.8731 (tmmt) cc_final: 0.7557 (tmmt) REVERT: 9 137 ASN cc_start: 0.7623 (m-40) cc_final: 0.7160 (m-40) REVERT: 9 138 MET cc_start: 0.7422 (ppp) cc_final: 0.6729 (ppp) REVERT: a 11 VAL cc_start: 0.9070 (t) cc_final: 0.8395 (p) REVERT: a 15 LEU cc_start: 0.8191 (mt) cc_final: 0.7984 (mt) REVERT: a 33 VAL cc_start: 0.8480 (t) cc_final: 0.8042 (t) REVERT: a 122 LEU cc_start: 0.8710 (tp) cc_final: 0.7937 (tp) REVERT: a 171 MET cc_start: 0.9243 (mmp) cc_final: 0.8502 (mmp) REVERT: a 172 GLU cc_start: 0.8189 (pm20) cc_final: 0.7950 (pm20) REVERT: a 188 LEU cc_start: 0.8577 (mt) cc_final: 0.8198 (mt) REVERT: b 118 LEU cc_start: 0.8918 (mt) cc_final: 0.8683 (mt) REVERT: b 120 ARG cc_start: 0.7693 (ptp-110) cc_final: 0.7200 (mtm-85) REVERT: b 173 ASN cc_start: 0.7611 (m-40) cc_final: 0.6837 (m-40) REVERT: c 19 VAL cc_start: 0.8929 (t) cc_final: 0.8728 (t) REVERT: c 34 ILE cc_start: 0.8663 (mm) cc_final: 0.8397 (mm) REVERT: c 64 ASP cc_start: 0.7233 (t0) cc_final: 0.6775 (t0) REVERT: c 214 LYS cc_start: 0.7870 (pptt) cc_final: 0.7340 (ttmm) REVERT: e 17 ASP cc_start: 0.7564 (t70) cc_final: 0.7175 (t0) REVERT: e 34 ILE cc_start: 0.8763 (mt) cc_final: 0.8533 (mt) REVERT: e 40 LEU cc_start: 0.7414 (tp) cc_final: 0.7013 (tp) REVERT: e 41 VAL cc_start: 0.8635 (t) cc_final: 0.8192 (t) REVERT: e 114 MET cc_start: 0.8404 (ttt) cc_final: 0.7903 (ttt) REVERT: e 137 ASN cc_start: 0.8158 (p0) cc_final: 0.7763 (p0) REVERT: f 16 ASN cc_start: 0.8535 (m110) cc_final: 0.8266 (m110) REVERT: f 42 GLN cc_start: 0.8617 (mp-120) cc_final: 0.7983 (mp10) REVERT: f 49 ARG cc_start: 0.7273 (tpp80) cc_final: 0.6923 (tpp80) REVERT: f 149 ASN cc_start: 0.8970 (t0) cc_final: 0.8477 (t0) REVERT: f 172 GLU cc_start: 0.8085 (pm20) cc_final: 0.7109 (pm20) REVERT: g 11 VAL cc_start: 0.9099 (t) cc_final: 0.8752 (p) REVERT: g 28 VAL cc_start: 0.7913 (m) cc_final: 0.7010 (p) REVERT: g 33 VAL cc_start: 0.8053 (t) cc_final: 0.7335 (t) REVERT: g 34 ILE cc_start: 0.8900 (mt) cc_final: 0.8576 (mt) REVERT: g 64 ASP cc_start: 0.8245 (p0) cc_final: 0.7388 (p0) REVERT: g 108 LEU cc_start: 0.8252 (tp) cc_final: 0.8032 (tp) REVERT: g 138 MET cc_start: 0.6410 (mmm) cc_final: 0.6089 (mmt) REVERT: g 152 LEU cc_start: 0.8449 (mt) cc_final: 0.8223 (mt) REVERT: g 156 LEU cc_start: 0.9087 (mt) cc_final: 0.8678 (pp) REVERT: g 171 MET cc_start: 0.9287 (mmp) cc_final: 0.8591 (mmm) REVERT: h 17 ASP cc_start: 0.7934 (m-30) cc_final: 0.7322 (m-30) REVERT: h 26 GLU cc_start: 0.4376 (mm-30) cc_final: 0.3676 (tp30) REVERT: h 41 VAL cc_start: 0.8559 (p) cc_final: 0.8084 (p) REVERT: i 57 THR cc_start: 0.8958 (p) cc_final: 0.8327 (p) REVERT: i 60 ARG cc_start: 0.7348 (mtm-85) cc_final: 0.7058 (mtm-85) REVERT: i 133 LYS cc_start: 0.7922 (mmpt) cc_final: 0.7609 (mmmt) REVERT: k 34 ILE cc_start: 0.9020 (pt) cc_final: 0.8701 (pt) REVERT: l 19 VAL cc_start: 0.9283 (p) cc_final: 0.9039 (p) REVERT: l 33 VAL cc_start: 0.9088 (t) cc_final: 0.8659 (t) REVERT: l 35 ASP cc_start: 0.7225 (t0) cc_final: 0.6499 (t0) REVERT: l 42 GLN cc_start: 0.8560 (mp-120) cc_final: 0.8013 (mp-120) REVERT: l 136 LYS cc_start: 0.8904 (tmmt) cc_final: 0.8154 (ttpp) REVERT: l 171 MET cc_start: 0.8561 (mmp) cc_final: 0.8251 (mmp) REVERT: l 173 ASN cc_start: 0.7364 (m-40) cc_final: 0.6461 (m-40) REVERT: l 193 ILE cc_start: 0.7655 (mp) cc_final: 0.7253 (mp) REVERT: m 11 VAL cc_start: 0.9225 (t) cc_final: 0.8910 (p) REVERT: m 17 ASP cc_start: 0.7082 (m-30) cc_final: 0.6611 (m-30) REVERT: m 64 ASP cc_start: 0.8723 (p0) cc_final: 0.8087 (p0) REVERT: n 16 ASN cc_start: 0.8163 (m-40) cc_final: 0.7751 (t0) REVERT: n 41 VAL cc_start: 0.8396 (p) cc_final: 0.8072 (p) REVERT: n 134 THR cc_start: 0.9168 (t) cc_final: 0.8900 (t) REVERT: n 155 THR cc_start: 0.9114 (p) cc_final: 0.8909 (p) REVERT: n 171 MET cc_start: 0.7777 (mmm) cc_final: 0.6543 (ttm) REVERT: n 173 ASN cc_start: 0.7202 (m-40) cc_final: 0.6868 (m-40) REVERT: o 64 ASP cc_start: 0.7985 (m-30) cc_final: 0.7409 (m-30) REVERT: o 129 ILE cc_start: 0.9192 (mm) cc_final: 0.8346 (mm) REVERT: o 149 ASN cc_start: 0.7749 (m110) cc_final: 0.7343 (m110) REVERT: o 171 MET cc_start: 0.8135 (mmp) cc_final: 0.7913 (mmp) REVERT: o 214 LYS cc_start: 0.7809 (pptt) cc_final: 0.7374 (ttmm) REVERT: p 45 GLN cc_start: 0.8829 (pt0) cc_final: 0.8501 (pt0) REVERT: q 137 ASN cc_start: 0.8076 (p0) cc_final: 0.7627 (p0) REVERT: q 178 MET cc_start: 0.5924 (ptm) cc_final: 0.5689 (ptm) REVERT: r 33 VAL cc_start: 0.9155 (t) cc_final: 0.8464 (t) REVERT: r 34 ILE cc_start: 0.8689 (pt) cc_final: 0.8151 (pt) REVERT: r 35 ASP cc_start: 0.6368 (t0) cc_final: 0.6091 (t0) REVERT: r 42 GLN cc_start: 0.8638 (mp-120) cc_final: 0.8208 (mp-120) REVERT: r 136 LYS cc_start: 0.9051 (tmmt) cc_final: 0.8218 (ttpp) REVERT: s 33 VAL cc_start: 0.8642 (t) cc_final: 0.8117 (t) REVERT: s 34 ILE cc_start: 0.8634 (mt) cc_final: 0.7918 (mt) REVERT: s 171 MET cc_start: 0.9254 (mmp) cc_final: 0.8654 (mmm) REVERT: s 188 LEU cc_start: 0.8878 (mt) cc_final: 0.8521 (mt) REVERT: t 44 ARG cc_start: 0.7873 (mtp-110) cc_final: 0.7615 (ptm160) REVERT: t 45 GLN cc_start: 0.6948 (tm-30) cc_final: 0.6083 (tm-30) REVERT: t 55 LYS cc_start: 0.9262 (mtmt) cc_final: 0.8860 (mtpt) REVERT: t 153 GLN cc_start: 0.7847 (mp10) cc_final: 0.7603 (mp10) REVERT: t 171 MET cc_start: 0.7926 (mmm) cc_final: 0.7361 (mmm) REVERT: u 60 ARG cc_start: 0.7469 (ptp-110) cc_final: 0.7003 (ptp90) REVERT: u 115 SER cc_start: 0.8700 (m) cc_final: 0.8128 (p) REVERT: u 128 LYS cc_start: 0.8528 (ptpp) cc_final: 0.8239 (ptpp) REVERT: u 129 ILE cc_start: 0.9396 (mp) cc_final: 0.9143 (pt) REVERT: u 149 ASN cc_start: 0.7944 (m110) cc_final: 0.7579 (m110) REVERT: w 43 LEU cc_start: 0.8530 (tp) cc_final: 0.8226 (tp) REVERT: w 137 ASN cc_start: 0.8099 (p0) cc_final: 0.7721 (p0) REVERT: x 3 LEU cc_start: 0.7811 (pp) cc_final: 0.7546 (pt) REVERT: x 25 PRO cc_start: 0.7199 (Cg_exo) cc_final: 0.6949 (Cg_endo) REVERT: x 34 ILE cc_start: 0.8767 (pt) cc_final: 0.8106 (pt) REVERT: x 35 ASP cc_start: 0.6514 (t0) cc_final: 0.6310 (t0) REVERT: x 49 ARG cc_start: 0.6933 (tpp-160) cc_final: 0.6249 (tpp80) REVERT: x 51 ILE cc_start: 0.8279 (mm) cc_final: 0.7915 (mm) REVERT: x 114 MET cc_start: 0.6455 (ptp) cc_final: 0.6196 (ptp) REVERT: x 136 LYS cc_start: 0.8849 (tmmt) cc_final: 0.8306 (ttpp) REVERT: x 138 MET cc_start: 0.7522 (ppp) cc_final: 0.7106 (ppp) REVERT: x 168 PHE cc_start: 0.6930 (t80) cc_final: 0.6672 (t80) REVERT: x 171 MET cc_start: 0.9302 (mmp) cc_final: 0.9072 (mmm) REVERT: y 138 MET cc_start: 0.6044 (tpt) cc_final: 0.5717 (tpt) REVERT: y 147 LYS cc_start: 0.8437 (ptpp) cc_final: 0.7849 (pttm) REVERT: y 171 MET cc_start: 0.9135 (mmp) cc_final: 0.8432 (mmp) REVERT: y 177 ASP cc_start: 0.7332 (t70) cc_final: 0.6807 (t70) REVERT: z 18 LEU cc_start: 0.8796 (mm) cc_final: 0.8555 (mm) REVERT: z 43 LEU cc_start: 0.9113 (tp) cc_final: 0.8781 (tp) REVERT: z 120 ARG cc_start: 0.7701 (ptp-110) cc_final: 0.7271 (ptp-110) REVERT: z 136 LYS cc_start: 0.8857 (ttmm) cc_final: 0.8418 (ttmt) REVERT: z 173 ASN cc_start: 0.7242 (m110) cc_final: 0.6878 (m110) REVERT: AA 57 THR cc_start: 0.9005 (p) cc_final: 0.7764 (p) REVERT: AA 149 ASN cc_start: 0.7586 (m110) cc_final: 0.7200 (m110) REVERT: AA 174 LYS cc_start: 0.8643 (ptpp) cc_final: 0.8409 (ptpt) REVERT: AC 34 ILE cc_start: 0.8919 (mt) cc_final: 0.8564 (mt) REVERT: AC 121 ASN cc_start: 0.8689 (m-40) cc_final: 0.8394 (m-40) REVERT: AC 137 ASN cc_start: 0.8244 (p0) cc_final: 0.7979 (p0) REVERT: AD 19 VAL cc_start: 0.9371 (p) cc_final: 0.9169 (p) REVERT: AD 33 VAL cc_start: 0.8759 (t) cc_final: 0.8386 (t) REVERT: AD 34 ILE cc_start: 0.9412 (pt) cc_final: 0.8849 (pt) REVERT: AD 35 ASP cc_start: 0.7872 (t0) cc_final: 0.7231 (t0) REVERT: AD 42 GLN cc_start: 0.8862 (mp-120) cc_final: 0.8186 (mp-120) REVERT: AD 116 GLU cc_start: 0.7871 (pm20) cc_final: 0.6296 (pm20) REVERT: AD 122 LEU cc_start: 0.7977 (tp) cc_final: 0.7627 (tp) REVERT: AD 136 LYS cc_start: 0.8907 (tmmt) cc_final: 0.8267 (ttpp) REVERT: AE 33 VAL cc_start: 0.8489 (t) cc_final: 0.7886 (t) REVERT: AE 35 ASP cc_start: 0.7527 (m-30) cc_final: 0.7266 (m-30) REVERT: AE 122 LEU cc_start: 0.8800 (tp) cc_final: 0.8586 (tp) REVERT: AE 138 MET cc_start: 0.5808 (mmt) cc_final: 0.5270 (mmm) REVERT: AE 165 THR cc_start: 0.7719 (p) cc_final: 0.7480 (p) REVERT: AE 171 MET cc_start: 0.9037 (mmp) cc_final: 0.7822 (mmp) REVERT: AE 193 ILE cc_start: 0.6772 (pt) cc_final: 0.6507 (pt) REVERT: AF 3 LEU cc_start: 0.7942 (mt) cc_final: 0.7505 (mt) REVERT: AF 41 VAL cc_start: 0.8967 (p) cc_final: 0.8578 (p) REVERT: AF 147 LYS cc_start: 0.8351 (ptpp) cc_final: 0.8140 (ptpp) REVERT: AF 149 ASN cc_start: 0.7899 (m-40) cc_final: 0.7520 (m110) REVERT: AF 156 LEU cc_start: 0.9144 (mp) cc_final: 0.8811 (pp) REVERT: AF 171 MET cc_start: 0.7511 (tpt) cc_final: 0.6506 (tpt) REVERT: AG 64 ASP cc_start: 0.7120 (t0) cc_final: 0.6886 (t0) REVERT: AG 133 LYS cc_start: 0.7976 (mmpt) cc_final: 0.7772 (mmmt) REVERT: AH 138 MET cc_start: 0.5186 (mtm) cc_final: 0.4847 (mtm) REVERT: AH 171 MET cc_start: 0.7895 (ptp) cc_final: 0.7629 (ptt) REVERT: AI 35 ASP cc_start: 0.8636 (m-30) cc_final: 0.8429 (m-30) REVERT: AJ 19 VAL cc_start: 0.9507 (p) cc_final: 0.9127 (p) REVERT: AJ 29 LEU cc_start: 0.8835 (tp) cc_final: 0.8621 (tp) REVERT: AJ 33 VAL cc_start: 0.8618 (t) cc_final: 0.7881 (t) REVERT: AJ 40 LEU cc_start: 0.8700 (mt) cc_final: 0.8432 (mt) REVERT: AJ 42 GLN cc_start: 0.9008 (mp-120) cc_final: 0.8425 (mp10) REVERT: AJ 49 ARG cc_start: 0.7516 (tpp80) cc_final: 0.6684 (tpp80) REVERT: AJ 133 LYS cc_start: 0.8383 (ttmm) cc_final: 0.7930 (ttmm) REVERT: AJ 136 LYS cc_start: 0.8624 (tmmt) cc_final: 0.7785 (ttpp) REVERT: AJ 138 MET cc_start: 0.7448 (ppp) cc_final: 0.7052 (ppp) REVERT: AJ 139 LEU cc_start: 0.8767 (mt) cc_final: 0.8147 (mt) REVERT: AJ 149 ASN cc_start: 0.8748 (t0) cc_final: 0.8329 (t0) REVERT: AK 11 VAL cc_start: 0.9201 (t) cc_final: 0.8688 (p) REVERT: AK 33 VAL cc_start: 0.8625 (t) cc_final: 0.7855 (t) REVERT: AK 171 MET cc_start: 0.9159 (mmp) cc_final: 0.8660 (mmm) REVERT: AK 177 ASP cc_start: 0.7752 (t70) cc_final: 0.7232 (t70) REVERT: AL 55 LYS cc_start: 0.8821 (mtmt) cc_final: 0.8514 (mtpt) REVERT: AL 171 MET cc_start: 0.7951 (mmm) cc_final: 0.7325 (mmm) REVERT: AL 173 ASN cc_start: 0.7611 (m-40) cc_final: 0.7045 (m-40) REVERT: AM 53 GLU cc_start: 0.8011 (tp30) cc_final: 0.7711 (tp30) REVERT: AM 214 LYS cc_start: 0.8140 (pptt) cc_final: 0.7784 (ttmm) REVERT: AN 36 MET cc_start: 0.6618 (ptm) cc_final: 0.6196 (ptm) REVERT: AN 138 MET cc_start: 0.4291 (ptp) cc_final: 0.3932 (ptm) REVERT: AN 140 GLN cc_start: 0.6905 (mm-40) cc_final: 0.6699 (mm-40) REVERT: AO 34 ILE cc_start: 0.8874 (pt) cc_final: 0.8469 (pt) REVERT: AO 114 MET cc_start: 0.7239 (ttt) cc_final: 0.6863 (ttt) REVERT: AO 137 ASN cc_start: 0.8471 (p0) cc_final: 0.8270 (p0) REVERT: AP 19 VAL cc_start: 0.9363 (p) cc_final: 0.9150 (p) REVERT: AP 29 LEU cc_start: 0.8979 (tp) cc_final: 0.8554 (tp) REVERT: AP 33 VAL cc_start: 0.8633 (t) cc_final: 0.8269 (t) REVERT: AP 49 ARG cc_start: 0.7385 (tpp80) cc_final: 0.6653 (tpp80) REVERT: AP 125 LEU cc_start: 0.8256 (mt) cc_final: 0.8048 (mt) REVERT: AP 133 LYS cc_start: 0.8044 (tttm) cc_final: 0.7083 (tttm) REVERT: AP 136 LYS cc_start: 0.8598 (tmmt) cc_final: 0.7170 (tmmt) REVERT: AP 137 ASN cc_start: 0.7896 (m-40) cc_final: 0.7247 (m-40) REVERT: AP 138 MET cc_start: 0.7526 (ppp) cc_final: 0.6799 (ppp) REVERT: AQ 11 VAL cc_start: 0.9139 (t) cc_final: 0.8459 (p) REVERT: AQ 33 VAL cc_start: 0.8511 (t) cc_final: 0.8162 (t) REVERT: AQ 34 ILE cc_start: 0.8768 (mt) cc_final: 0.7857 (mt) REVERT: AQ 171 MET cc_start: 0.9244 (mmp) cc_final: 0.8516 (mmp) REVERT: AQ 188 LEU cc_start: 0.8600 (mt) cc_final: 0.8242 (mt) REVERT: AR 3 LEU cc_start: 0.7997 (mt) cc_final: 0.7586 (mt) REVERT: AR 17 ASP cc_start: 0.7760 (p0) cc_final: 0.7489 (p0) REVERT: AR 26 GLU cc_start: 0.4365 (mm-30) cc_final: 0.3458 (mm-30) REVERT: AR 55 LYS cc_start: 0.9118 (mtmt) cc_final: 0.8898 (mtpt) REVERT: AR 120 ARG cc_start: 0.7690 (ptp-110) cc_final: 0.7242 (mtm-85) REVERT: AR 134 THR cc_start: 0.9135 (t) cc_final: 0.8849 (t) REVERT: AR 138 MET cc_start: 0.6991 (mmm) cc_final: 0.6589 (mmm) REVERT: AR 139 LEU cc_start: 0.8553 (mt) cc_final: 0.8236 (mt) REVERT: AR 173 ASN cc_start: 0.7732 (m110) cc_final: 0.7229 (m110) REVERT: AS 19 VAL cc_start: 0.8917 (t) cc_final: 0.8644 (t) REVERT: AS 34 ILE cc_start: 0.8603 (mm) cc_final: 0.8390 (mm) REVERT: AS 56 ARG cc_start: 0.7292 (tpm170) cc_final: 0.6871 (mmm160) REVERT: AS 214 LYS cc_start: 0.7875 (pptt) cc_final: 0.7388 (ttmm) REVERT: AU 41 VAL cc_start: 0.8562 (t) cc_final: 0.8026 (t) REVERT: AU 137 ASN cc_start: 0.8114 (p0) cc_final: 0.7716 (p0) REVERT: AV 34 ILE cc_start: 0.9054 (pt) cc_final: 0.8647 (pt) REVERT: AV 42 GLN cc_start: 0.8644 (mp-120) cc_final: 0.7959 (mp10) REVERT: AV 136 LYS cc_start: 0.8543 (tmmt) cc_final: 0.7822 (ttpp) REVERT: AV 149 ASN cc_start: 0.8981 (t0) cc_final: 0.8582 (t0) REVERT: AV 172 GLU cc_start: 0.8270 (pm20) cc_final: 0.6987 (pm20) outliers start: 26 outliers final: 12 residues processed: 4948 average time/residue: 1.1699 time to fit residues: 9971.9263 Evaluate side-chains 3843 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 12 poor density : 3831 time to evaluate : 11.508 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1764 random chunks: chunk 1645 optimal weight: 0.3980 chunk 192 optimal weight: 5.9990 chunk 972 optimal weight: 3.9990 chunk 1246 optimal weight: 4.9990 chunk 965 optimal weight: 40.0000 chunk 1436 optimal weight: 7.9990 chunk 953 optimal weight: 10.0000 chunk 1700 optimal weight: 0.8980 chunk 1064 optimal weight: 0.3980 chunk 1036 optimal weight: 1.9990 chunk 784 optimal weight: 1.9990 overall best weight: 1.1384 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** D 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 117 ASN ** C 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 16 ASN A 117 ASN A 154 GLN ** B 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 59 GLN ** I 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 173 ASN ** K 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 121 ASN K 154 GLN ** L 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 154 GLN ** M 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 111 GLN O 117 ASN ** O 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 154 GLN ** R 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 42 GLN ** R 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 137 ASN ** T 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 137 ASN ** U 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 117 ASN ** X 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 196 GLN ** 2 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 154 GLN ** 3 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 121 ASN ** 8 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 154 GLN ** 8 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 173 ASN ** b 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 121 ASN ** b 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 137 ASN d 149 ASN ** f 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 173 ASN ** h 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 117 ASN ** h 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 153 GLN ** j 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 137 ASN ** j 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 16 ASN ** k 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 154 GLN ** l 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 59 GLN ** o 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 154 GLN ** r 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 59 GLN r 154 GLN ** r 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 111 GLN ** u 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 121 ASN ** w 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 154 GLN ** x 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 111 GLN AA 137 ASN ** AA 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 117 ASN AC 121 ASN ** AD 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 173 ASN ** AH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AH 196 GLN ** AI 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 121 ASN ** AI 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 154 GLN ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 173 ASN ** AK 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AL 63 GLN ** AL 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AN 121 ASN ** AO 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 154 GLN ** AO 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 121 ASN ** AR 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 111 GLN AS 137 ASN ** AS 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 173 ASN Total number of N/Q/H flips: 53 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6498 moved from start: 0.9979 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.075 139006 Z= 0.218 Angle : 0.742 11.489 186606 Z= 0.407 Chirality : 0.039 0.257 21644 Planarity : 0.004 0.134 24962 Dihedral : 7.098 174.407 19390 Min Nonbonded Distance : 2.097 Molprobity Statistics. All-atom Clashscore : 21.43 Ramachandran Plot: Outliers : 0.16 % Allowed : 1.15 % Favored : 98.69 % Rotamer: Outliers : 0.03 % Allowed : 2.34 % Favored : 97.63 % 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: 2.65 (0.06), residues: 17808 helix: 2.03 (0.04), residues: 16576 sheet: None (None), residues: 0 loop : -2.04 (0.15), residues: 1232 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.001 TRP X 71 PHE 0.041 0.002 PHE D 197 TYR 0.045 0.003 TYR J 104 ARG 0.017 0.001 ARGAN 60 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4981 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 4977 time to evaluate : 11.616 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: 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revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 11 VAL cc_start: 0.9096 (t) cc_final: 0.8780 (p) REVERT: D 34 ILE cc_start: 0.8737 (mt) cc_final: 0.8328 (mt) REVERT: D 38 GLU cc_start: 0.6716 (pt0) cc_final: 0.6384 (pt0) REVERT: D 64 ASP cc_start: 0.8183 (p0) cc_final: 0.7569 (p0) REVERT: D 118 LEU cc_start: 0.8808 (mt) cc_final: 0.8522 (mt) REVERT: D 129 ILE cc_start: 0.9177 (mt) cc_final: 0.8916 (mt) REVERT: D 171 MET cc_start: 0.9289 (mmp) cc_final: 0.8480 (mmm) REVERT: C 17 ASP cc_start: 0.6836 (t0) cc_final: 0.6562 (t0) REVERT: C 41 VAL cc_start: 0.8330 (p) cc_final: 0.7830 (p) REVERT: C 55 LYS cc_start: 0.8143 (tmtt) cc_final: 0.7802 (tptt) REVERT: C 138 MET cc_start: 0.7483 (mmm) cc_final: 0.7180 (mmt) REVERT: E 34 ILE cc_start: 0.8247 (mp) cc_final: 0.7945 (mp) REVERT: E 57 THR cc_start: 0.8553 (p) cc_final: 0.6704 (p) REVERT: E 118 LEU cc_start: 0.7865 (mt) cc_final: 0.7425 (pp) REVERT: E 203 SER cc_start: 0.8385 (m) cc_final: 0.7929 (p) REVERT: F 129 ILE cc_start: 0.7451 (mp) cc_final: 0.7082 (mp) REVERT: A 114 MET cc_start: 0.6821 (ttt) cc_final: 0.6559 (ttt) REVERT: B 10 VAL cc_start: 0.9380 (t) cc_final: 0.9085 (t) REVERT: B 33 VAL cc_start: 0.8681 (t) cc_final: 0.7614 (t) REVERT: B 42 GLN cc_start: 0.8762 (mp-120) cc_final: 0.8278 (mp-120) REVERT: B 49 ARG cc_start: 0.7842 (tpp80) cc_final: 0.7435 (tpp80) REVERT: B 116 GLU cc_start: 0.7723 (pm20) cc_final: 0.7517 (pm20) REVERT: B 133 LYS cc_start: 0.8344 (ttmm) cc_final: 0.7727 (ttmm) REVERT: B 135 LYS cc_start: 0.8814 (mmpt) cc_final: 0.8224 (mmmt) REVERT: B 136 LYS cc_start: 0.8702 (tmmt) cc_final: 0.7769 (ttpp) REVERT: B 193 ILE cc_start: 0.7378 (mp) cc_final: 0.6997 (mp) REVERT: G 11 VAL cc_start: 0.8961 (t) cc_final: 0.8668 (p) REVERT: G 64 ASP cc_start: 0.8408 (p0) cc_final: 0.8069 (p0) REVERT: G 118 LEU cc_start: 0.8901 (mt) cc_final: 0.8578 (mt) REVERT: H 16 ASN cc_start: 0.7970 (m-40) cc_final: 0.7152 (m-40) REVERT: H 26 GLU cc_start: 0.3676 (mm-30) cc_final: 0.3423 (mm-30) REVERT: H 41 VAL cc_start: 0.8307 (p) cc_final: 0.7864 (p) REVERT: H 69 LYS cc_start: 0.8748 (ptpt) cc_final: 0.8087 (pttm) REVERT: H 171 MET cc_start: 0.7411 (mmm) cc_final: 0.6591 (tpp) REVERT: H 173 ASN cc_start: 0.7102 (m-40) cc_final: 0.6883 (m-40) REVERT: I 53 GLU cc_start: 0.7962 (tp30) cc_final: 0.7218 (tp30) REVERT: I 115 SER cc_start: 0.8688 (m) cc_final: 0.8443 (p) REVERT: I 149 ASN cc_start: 0.7595 (m110) cc_final: 0.7386 (m110) REVERT: I 171 MET cc_start: 0.8356 (mmp) cc_final: 0.8113 (mmm) REVERT: I 203 SER cc_start: 0.7897 (m) cc_final: 0.7480 (p) REVERT: I 214 LYS cc_start: 0.7874 (pptt) cc_final: 0.7455 (ttmm) REVERT: J 133 LYS cc_start: 0.6916 (mmtt) cc_final: 0.6614 (mmtt) REVERT: K 43 LEU cc_start: 0.8623 (tp) cc_final: 0.8273 (tp) REVERT: K 137 ASN cc_start: 0.8220 (p0) cc_final: 0.7877 (p0) REVERT: K 156 LEU cc_start: 0.7045 (pp) cc_final: 0.6784 (pp) REVERT: L 10 VAL cc_start: 0.9387 (t) cc_final: 0.9178 (t) REVERT: L 33 VAL cc_start: 0.9085 (t) cc_final: 0.8822 (t) REVERT: L 34 ILE cc_start: 0.9222 (pt) cc_final: 0.8987 (pt) REVERT: L 42 GLN cc_start: 0.8822 (mp-120) cc_final: 0.8221 (mp-120) REVERT: L 59 GLN cc_start: 0.7951 (tm-30) cc_final: 0.7216 (tm-30) REVERT: L 114 MET cc_start: 0.6980 (pmm) cc_final: 0.6734 (pmm) REVERT: L 136 LYS cc_start: 0.9000 (tmmt) cc_final: 0.8144 (ttpp) REVERT: L 147 LYS cc_start: 0.8370 (pttm) cc_final: 0.8061 (pttm) REVERT: L 171 MET cc_start: 0.8576 (mmp) cc_final: 0.8375 (mmm) REVERT: M 33 VAL cc_start: 0.8457 (t) cc_final: 0.7900 (t) REVERT: M 34 ILE cc_start: 0.8618 (mt) cc_final: 0.7916 (mt) REVERT: M 118 LEU cc_start: 0.8841 (mt) cc_final: 0.8548 (mt) REVERT: M 122 LEU cc_start: 0.8701 (tp) cc_final: 0.8449 (tp) REVERT: M 174 LYS cc_start: 0.9117 (ptpt) cc_final: 0.8726 (ptpt) REVERT: M 177 ASP cc_start: 0.7146 (t70) cc_final: 0.6723 (t70) REVERT: M 188 LEU cc_start: 0.8774 (mt) cc_final: 0.8366 (mt) REVERT: N 50 THR cc_start: 0.9378 (p) cc_final: 0.9051 (p) REVERT: N 53 GLU cc_start: 0.8870 (pm20) cc_final: 0.8540 (pm20) REVERT: N 55 LYS cc_start: 0.9289 (mtmt) cc_final: 0.8962 (mtpt) REVERT: N 149 ASN cc_start: 0.7854 (m-40) cc_final: 0.7615 (m-40) REVERT: N 171 MET cc_start: 0.7586 (mmm) cc_final: 0.7106 (mmm) REVERT: O 57 THR cc_start: 0.8854 (p) cc_final: 0.8315 (p) REVERT: O 115 SER cc_start: 0.8986 (m) cc_final: 0.8660 (p) REVERT: O 138 MET cc_start: 0.3745 (mmt) cc_final: 0.3098 (mmt) REVERT: Q 35 ASP cc_start: 0.8669 (m-30) cc_final: 0.8362 (m-30) REVERT: Q 43 LEU cc_start: 0.8556 (tp) cc_final: 0.8298 (tp) REVERT: Q 137 ASN cc_start: 0.7947 (p0) cc_final: 0.7647 (p0) REVERT: R 19 VAL cc_start: 0.9268 (p) cc_final: 0.9046 (p) REVERT: R 25 PRO cc_start: 0.7574 (Cg_exo) cc_final: 0.6899 (Cg_endo) REVERT: R 33 VAL cc_start: 0.9218 (t) cc_final: 0.8944 (t) REVERT: R 34 ILE cc_start: 0.8802 (pt) cc_final: 0.8195 (pt) REVERT: R 49 ARG cc_start: 0.7210 (tpp-160) cc_final: 0.6252 (tpp80) REVERT: R 134 THR cc_start: 0.8997 (p) cc_final: 0.8467 (p) REVERT: R 135 LYS cc_start: 0.8888 (mmpt) cc_final: 0.8213 (mmmt) REVERT: R 136 LYS cc_start: 0.8967 (tmmt) cc_final: 0.8238 (ttpp) REVERT: S 33 VAL cc_start: 0.8537 (t) cc_final: 0.7679 (t) REVERT: S 34 ILE cc_start: 0.9102 (mt) cc_final: 0.8230 (mt) REVERT: S 144 LYS cc_start: 0.8574 (mppt) cc_final: 0.8365 (mppt) REVERT: S 147 LYS cc_start: 0.8318 (ptpp) cc_final: 0.7909 (pttm) REVERT: S 171 MET cc_start: 0.8948 (mmp) cc_final: 0.8528 (mmp) REVERT: T 16 ASN cc_start: 0.7773 (m-40) cc_final: 0.7493 (m-40) REVERT: T 18 LEU cc_start: 0.8777 (mm) cc_final: 0.8501 (mm) REVERT: T 40 LEU cc_start: 0.9034 (tp) cc_final: 0.8784 (tp) REVERT: T 43 LEU cc_start: 0.8825 (tp) cc_final: 0.8459 (tp) REVERT: T 47 VAL cc_start: 0.9487 (t) cc_final: 0.9210 (t) REVERT: T 120 ARG cc_start: 0.7926 (ptp-110) cc_final: 0.7423 (mtm-85) REVERT: T 139 LEU cc_start: 0.8728 (mt) cc_final: 0.8481 (mt) REVERT: U 19 VAL cc_start: 0.8678 (t) cc_final: 0.8431 (t) REVERT: U 171 MET cc_start: 0.7654 (mmp) cc_final: 0.7024 (mmp) REVERT: W 137 ASN cc_start: 0.8219 (p0) cc_final: 0.7974 (p0) REVERT: W 193 ILE cc_start: 0.9116 (pt) cc_final: 0.8544 (pt) REVERT: X 16 ASN cc_start: 0.8920 (p0) cc_final: 0.8668 (p0) REVERT: X 25 PRO cc_start: 0.6926 (Cg_exo) cc_final: 0.6362 (Cg_endo) REVERT: X 33 VAL cc_start: 0.8835 (t) cc_final: 0.8549 (t) REVERT: X 34 ILE cc_start: 0.9401 (pt) cc_final: 0.8874 (pt) REVERT: X 35 ASP cc_start: 0.7450 (t0) cc_final: 0.6796 (t0) REVERT: X 42 GLN cc_start: 0.8845 (mp-120) cc_final: 0.8158 (mp-120) REVERT: X 114 MET cc_start: 0.6327 (ptp) cc_final: 0.5846 (ptp) REVERT: X 135 LYS cc_start: 0.9017 (mmpt) cc_final: 0.8665 (mmmt) REVERT: X 136 LYS cc_start: 0.9012 (tmmt) cc_final: 0.8399 (ttpp) REVERT: X 172 GLU cc_start: 0.8079 (pm20) cc_final: 0.7576 (pm20) REVERT: Y 14 ASN cc_start: 0.9254 (p0) cc_final: 0.8967 (p0) REVERT: Y 17 ASP cc_start: 0.8360 (p0) cc_final: 0.8010 (p0) REVERT: Y 33 VAL cc_start: 0.8396 (t) cc_final: 0.7928 (t) REVERT: Y 38 GLU cc_start: 0.7298 (pt0) cc_final: 0.6985 (pt0) REVERT: Y 138 MET cc_start: 0.5888 (mmt) cc_final: 0.5444 (mmt) REVERT: Y 165 THR cc_start: 0.7816 (p) cc_final: 0.7458 (p) REVERT: Y 193 ILE cc_start: 0.6532 (pt) cc_final: 0.6264 (pt) REVERT: Z 3 LEU cc_start: 0.8020 (mt) cc_final: 0.7621 (mt) REVERT: Z 26 GLU cc_start: 0.5548 (mm-30) cc_final: 0.5186 (tp30) REVERT: Z 50 THR cc_start: 0.9568 (p) cc_final: 0.8724 (p) REVERT: Z 55 LYS cc_start: 0.8563 (mtmt) cc_final: 0.8257 (tptp) REVERT: Z 171 MET cc_start: 0.7177 (tpt) cc_final: 0.5494 (tpt) REVERT: Z 173 ASN cc_start: 0.6956 (m-40) cc_final: 0.6689 (m-40) REVERT: 1 129 ILE cc_start: 0.8332 (mp) cc_final: 0.7655 (mm) REVERT: 2 137 ASN cc_start: 0.8182 (p0) cc_final: 0.7949 (p0) REVERT: 2 156 LEU cc_start: 0.7011 (pp) cc_final: 0.6809 (pp) REVERT: 2 178 MET cc_start: 0.6680 (pmm) cc_final: 0.5167 (ptp) REVERT: 3 16 ASN cc_start: 0.8417 (m110) cc_final: 0.8087 (m110) REVERT: 3 19 VAL cc_start: 0.9381 (p) cc_final: 0.9111 (p) REVERT: 3 33 VAL cc_start: 0.8537 (t) cc_final: 0.7795 (t) REVERT: 3 49 ARG cc_start: 0.7348 (tpp80) cc_final: 0.6893 (tpp80) REVERT: 3 114 MET cc_start: 0.5407 (ptp) cc_final: 0.5056 (ptp) REVERT: 3 133 LYS cc_start: 0.8267 (ttmm) cc_final: 0.7791 (ttmm) REVERT: 3 136 LYS cc_start: 0.8748 (tmmt) cc_final: 0.7535 (ttpp) REVERT: 3 149 ASN cc_start: 0.8779 (t0) cc_final: 0.8176 (t0) REVERT: 4 11 VAL cc_start: 0.9001 (t) cc_final: 0.8683 (p) REVERT: 4 138 MET cc_start: 0.6061 (mmt) cc_final: 0.5397 (mmt) REVERT: 4 171 MET cc_start: 0.9168 (mmp) cc_final: 0.8420 (mmm) REVERT: 4 174 LYS cc_start: 0.8870 (ptpt) cc_final: 0.8510 (ptpt) REVERT: 4 177 ASP cc_start: 0.7833 (t70) cc_final: 0.7271 (t70) REVERT: 5 49 ARG cc_start: 0.6950 (ptp-110) cc_final: 0.6710 (mtm-85) REVERT: 5 133 LYS cc_start: 0.8099 (ttmm) cc_final: 0.7827 (ttmm) REVERT: 5 138 MET cc_start: 0.6778 (mmp) cc_final: 0.6563 (mmt) REVERT: 5 171 MET cc_start: 0.7720 (mmm) cc_final: 0.6241 (ttm) REVERT: 5 173 ASN cc_start: 0.7478 (m-40) cc_final: 0.6888 (m-40) REVERT: 6 36 MET cc_start: 0.7772 (ptp) cc_final: 0.7548 (ptt) REVERT: 6 53 GLU cc_start: 0.7900 (tp30) cc_final: 0.7544 (tp30) REVERT: 6 214 LYS cc_start: 0.8061 (pptt) cc_final: 0.7620 (ttmm) REVERT: 7 122 LEU cc_start: 0.7628 (tp) cc_final: 0.7425 (tp) REVERT: 9 19 VAL cc_start: 0.9264 (p) cc_final: 0.8986 (p) REVERT: 9 33 VAL cc_start: 0.9018 (t) cc_final: 0.8612 (t) REVERT: 9 35 ASP cc_start: 0.8195 (m-30) cc_final: 0.7851 (m-30) REVERT: 9 36 MET cc_start: 0.8072 (ptp) cc_final: 0.6857 (ptp) REVERT: 9 42 GLN cc_start: 0.8279 (mp10) cc_final: 0.7832 (mp10) REVERT: 9 133 LYS cc_start: 0.8071 (tttm) cc_final: 0.7073 (tttm) REVERT: 9 135 LYS cc_start: 0.8812 (mmpt) cc_final: 0.8200 (mmmt) REVERT: 9 136 LYS cc_start: 0.8619 (tmmt) cc_final: 0.7405 (tmmt) REVERT: 9 137 ASN cc_start: 0.7397 (m-40) cc_final: 0.7112 (m-40) REVERT: 9 138 MET cc_start: 0.7513 (ppp) cc_final: 0.6839 (ppp) REVERT: a 11 VAL cc_start: 0.9029 (t) cc_final: 0.8458 (p) REVERT: a 15 LEU cc_start: 0.8161 (mt) cc_final: 0.7902 (mt) REVERT: a 33 VAL cc_start: 0.8530 (t) cc_final: 0.8174 (t) REVERT: a 138 MET cc_start: 0.6322 (mmt) cc_final: 0.5875 (tpt) REVERT: a 171 MET cc_start: 0.9193 (mmp) cc_final: 0.8248 (mmp) REVERT: a 188 LEU cc_start: 0.8618 (mt) cc_final: 0.8251 (mt) REVERT: b 17 ASP cc_start: 0.8022 (p0) cc_final: 0.7751 (p0) REVERT: b 18 LEU cc_start: 0.8866 (mm) cc_final: 0.8488 (mm) REVERT: b 43 LEU cc_start: 0.9045 (tp) cc_final: 0.8764 (tp) REVERT: b 55 LYS cc_start: 0.8962 (mtmt) cc_final: 0.7902 (tptp) REVERT: b 120 ARG cc_start: 0.7542 (ptp-110) cc_final: 0.7214 (mtm-85) REVERT: b 173 ASN cc_start: 0.7527 (m-40) cc_final: 0.6757 (m-40) REVERT: c 19 VAL cc_start: 0.8911 (t) cc_final: 0.8584 (t) REVERT: c 43 LEU cc_start: 0.8827 (mt) cc_final: 0.8608 (mt) REVERT: c 64 ASP cc_start: 0.7460 (t0) cc_final: 0.6740 (t0) REVERT: c 208 ASP cc_start: 0.7649 (m-30) cc_final: 0.7276 (m-30) REVERT: c 214 LYS cc_start: 0.7819 (pptt) cc_final: 0.7383 (ttmm) REVERT: e 17 ASP cc_start: 0.7543 (t70) cc_final: 0.6451 (t0) REVERT: e 114 MET cc_start: 0.8346 (ttm) cc_final: 0.7792 (mtp) REVERT: e 137 ASN cc_start: 0.8137 (p0) cc_final: 0.7788 (p0) REVERT: f 29 LEU cc_start: 0.8838 (mt) cc_final: 0.8586 (mt) REVERT: f 34 ILE cc_start: 0.8824 (pt) cc_final: 0.8296 (pt) REVERT: f 134 THR cc_start: 0.8716 (p) cc_final: 0.8364 (p) REVERT: f 135 LYS cc_start: 0.8670 (mmpt) cc_final: 0.8059 (mmmt) REVERT: f 149 ASN cc_start: 0.8758 (t0) cc_final: 0.8300 (t0) REVERT: f 173 ASN cc_start: 0.7645 (m-40) cc_final: 0.7131 (m-40) REVERT: f 188 LEU cc_start: 0.9035 (mp) cc_final: 0.8531 (tp) REVERT: g 11 VAL cc_start: 0.9066 (t) cc_final: 0.8719 (p) REVERT: g 33 VAL cc_start: 0.7910 (t) cc_final: 0.7272 (t) REVERT: g 34 ILE cc_start: 0.8883 (mt) cc_final: 0.8664 (mt) REVERT: g 64 ASP cc_start: 0.8201 (p0) cc_final: 0.7253 (p0) REVERT: g 108 LEU cc_start: 0.8222 (tp) cc_final: 0.7995 (tp) REVERT: g 118 LEU cc_start: 0.8792 (mt) cc_final: 0.8433 (mt) REVERT: g 138 MET cc_start: 0.6426 (mmm) cc_final: 0.6118 (mmt) REVERT: g 139 LEU cc_start: 0.7872 (tp) cc_final: 0.7314 (tp) REVERT: g 156 LEU cc_start: 0.9071 (mt) cc_final: 0.8627 (pp) REVERT: g 171 MET cc_start: 0.9237 (mmp) cc_final: 0.8523 (mmm) REVERT: g 176 LEU cc_start: 0.8221 (mm) cc_final: 0.7945 (mm) REVERT: h 3 LEU cc_start: 0.7707 (mt) cc_final: 0.7360 (mt) REVERT: h 17 ASP cc_start: 0.7764 (m-30) cc_final: 0.7125 (m-30) REVERT: h 41 VAL cc_start: 0.8536 (p) cc_final: 0.8268 (p) REVERT: h 149 ASN cc_start: 0.8115 (m-40) cc_final: 0.7765 (m110) REVERT: i 27 LYS cc_start: 0.7610 (mtpt) cc_final: 0.7389 (mtpt) REVERT: i 57 THR cc_start: 0.8823 (p) cc_final: 0.8365 (p) REVERT: k 20 SER cc_start: 0.8270 (p) cc_final: 0.7492 (p) REVERT: k 35 ASP cc_start: 0.8516 (m-30) cc_final: 0.8167 (m-30) REVERT: l 33 VAL cc_start: 0.9022 (t) cc_final: 0.8633 (t) REVERT: l 42 GLN cc_start: 0.8594 (mp-120) cc_final: 0.7902 (mp-120) REVERT: l 114 MET cc_start: 0.6545 (ptp) cc_final: 0.6186 (ptp) REVERT: l 134 THR cc_start: 0.8872 (p) cc_final: 0.8580 (p) REVERT: l 135 LYS cc_start: 0.8943 (mmpt) cc_final: 0.8614 (mmmt) REVERT: l 136 LYS cc_start: 0.8774 (tmmt) cc_final: 0.8141 (ttpp) REVERT: l 149 ASN cc_start: 0.9039 (t0) cc_final: 0.7706 (t0) REVERT: l 171 MET cc_start: 0.9113 (mmp) cc_final: 0.8670 (mmm) REVERT: l 173 ASN cc_start: 0.7424 (m-40) cc_final: 0.6987 (m-40) REVERT: l 193 ILE cc_start: 0.7603 (mp) cc_final: 0.7174 (mp) REVERT: m 11 VAL cc_start: 0.8977 (t) cc_final: 0.8679 (p) REVERT: m 33 VAL cc_start: 0.8385 (t) cc_final: 0.8124 (t) REVERT: m 38 GLU cc_start: 0.7798 (pt0) cc_final: 0.7530 (pt0) REVERT: m 64 ASP cc_start: 0.8312 (p0) cc_final: 0.7848 (p0) REVERT: m 174 LYS cc_start: 0.8639 (ptpp) cc_final: 0.8359 (pttp) REVERT: n 16 ASN cc_start: 0.8127 (m-40) cc_final: 0.7707 (t0) REVERT: n 41 VAL cc_start: 0.8340 (p) cc_final: 0.7954 (p) REVERT: n 43 LEU cc_start: 0.8810 (tp) cc_final: 0.8555 (tp) REVERT: n 147 LYS cc_start: 0.8173 (ptpp) cc_final: 0.7865 (pttm) REVERT: n 171 MET cc_start: 0.7316 (mmm) cc_final: 0.6612 (ttt) REVERT: o 53 GLU cc_start: 0.7924 (tp30) cc_final: 0.7543 (tp30) REVERT: o 149 ASN cc_start: 0.7378 (m110) cc_final: 0.7161 (m110) REVERT: o 181 THR cc_start: 0.7670 (t) cc_final: 0.7408 (t) REVERT: o 214 LYS cc_start: 0.7846 (pptt) cc_final: 0.7504 (ttmm) REVERT: q 40 LEU cc_start: 0.7439 (tp) cc_final: 0.7141 (tp) REVERT: q 41 VAL cc_start: 0.8747 (t) cc_final: 0.8343 (t) REVERT: q 137 ASN cc_start: 0.8086 (p0) cc_final: 0.7703 (p0) REVERT: r 28 VAL cc_start: 0.9169 (m) cc_final: 0.8964 (m) REVERT: r 33 VAL cc_start: 0.9187 (t) cc_final: 0.8617 (t) REVERT: r 34 ILE cc_start: 0.8594 (pt) cc_final: 0.7670 (pt) REVERT: r 42 GLN cc_start: 0.8607 (mp-120) cc_final: 0.8223 (mp-120) REVERT: r 136 LYS cc_start: 0.9168 (tmmt) cc_final: 0.8321 (ttpp) REVERT: r 149 ASN cc_start: 0.8975 (t0) cc_final: 0.8678 (t0) REVERT: r 173 ASN cc_start: 0.8033 (m110) cc_final: 0.7653 (m110) REVERT: s 33 VAL cc_start: 0.8435 (t) cc_final: 0.7806 (t) REVERT: s 34 ILE cc_start: 0.8626 (mt) cc_final: 0.7914 (mt) REVERT: s 118 LEU cc_start: 0.8815 (mt) cc_final: 0.8521 (mt) REVERT: s 171 MET cc_start: 0.9259 (mmp) cc_final: 0.8847 (mmp) REVERT: s 188 LEU cc_start: 0.8848 (mt) cc_final: 0.8468 (mt) REVERT: t 40 LEU cc_start: 0.8807 (tp) cc_final: 0.8514 (tp) REVERT: t 44 ARG cc_start: 0.7819 (mtp-110) cc_final: 0.7330 (mtp-110) REVERT: t 140 GLN cc_start: 0.7639 (pm20) cc_final: 0.7217 (pm20) REVERT: t 171 MET cc_start: 0.7599 (mmm) cc_final: 0.7218 (mmm) REVERT: u 57 THR cc_start: 0.9018 (p) cc_final: 0.8521 (p) REVERT: u 115 SER cc_start: 0.8839 (m) cc_final: 0.8529 (p) REVERT: u 149 ASN cc_start: 0.7648 (m110) cc_final: 0.7371 (m110) REVERT: v 178 MET cc_start: -0.0441 (ptp) cc_final: -0.0705 (ptp) REVERT: w 137 ASN cc_start: 0.8002 (p0) cc_final: 0.7746 (p0) REVERT: x 19 VAL cc_start: 0.9383 (p) cc_final: 0.9156 (p) REVERT: x 33 VAL cc_start: 0.9140 (t) cc_final: 0.8897 (t) REVERT: x 34 ILE cc_start: 0.8765 (pt) cc_final: 0.8038 (pt) REVERT: x 49 ARG cc_start: 0.7018 (tpp-160) cc_final: 0.6225 (tpp80) REVERT: x 135 LYS cc_start: 0.8879 (mmpt) cc_final: 0.8407 (mmmt) REVERT: x 136 LYS cc_start: 0.8941 (tmmt) cc_final: 0.8320 (ttpp) REVERT: x 171 MET cc_start: 0.9173 (mmp) cc_final: 0.8776 (mmp) REVERT: y 33 VAL cc_start: 0.8565 (t) cc_final: 0.7748 (t) REVERT: y 34 ILE cc_start: 0.9033 (mt) cc_final: 0.7950 (mt) REVERT: y 147 LYS cc_start: 0.8453 (ptpp) cc_final: 0.8108 (pttm) REVERT: y 171 MET cc_start: 0.9072 (mmp) cc_final: 0.8276 (mmp) REVERT: z 16 ASN cc_start: 0.7979 (m-40) cc_final: 0.7388 (t0) REVERT: z 43 LEU cc_start: 0.9053 (tp) cc_final: 0.8473 (tp) REVERT: z 136 LYS cc_start: 0.8703 (ttmm) cc_final: 0.8348 (ttmt) REVERT: z 147 LYS cc_start: 0.8421 (ptpp) cc_final: 0.8201 (pttm) REVERT: z 156 LEU cc_start: 0.9367 (mt) cc_final: 0.8957 (pp) REVERT: z 171 MET cc_start: 0.6449 (tpt) cc_final: 0.5664 (tpt) REVERT: z 173 ASN cc_start: 0.7385 (m110) cc_final: 0.7184 (m110) REVERT: AA 19 VAL cc_start: 0.8688 (t) cc_final: 0.8382 (t) REVERT: AA 64 ASP cc_start: 0.7005 (t0) cc_final: 0.6762 (t0) REVERT: AA 149 ASN cc_start: 0.7130 (m110) cc_final: 0.6889 (m110) REVERT: AC 121 ASN cc_start: 0.8694 (m110) cc_final: 0.8310 (m110) REVERT: AC 137 ASN cc_start: 0.8204 (p0) cc_final: 0.7973 (p0) REVERT: AC 193 ILE cc_start: 0.9135 (pt) cc_final: 0.8545 (pt) REVERT: AD 33 VAL cc_start: 0.8844 (t) cc_final: 0.8423 (t) REVERT: AD 34 ILE cc_start: 0.9368 (pt) cc_final: 0.8838 (pt) REVERT: AD 35 ASP cc_start: 0.7414 (t0) cc_final: 0.6758 (t0) REVERT: AD 42 GLN cc_start: 0.8873 (mp-120) cc_final: 0.8240 (mp-120) REVERT: AD 114 MET cc_start: 0.6270 (ptp) cc_final: 0.5771 (ptp) REVERT: AD 133 LYS cc_start: 0.8280 (ttmm) cc_final: 0.7876 (ttmm) REVERT: AD 134 THR cc_start: 0.8875 (p) cc_final: 0.8203 (p) REVERT: AD 135 LYS cc_start: 0.9080 (mmpt) cc_final: 0.8401 (mmmt) REVERT: AD 136 LYS cc_start: 0.8981 (tmmt) cc_final: 0.8619 (ttpp) REVERT: AD 169 GLU cc_start: 0.7432 (mp0) cc_final: 0.6840 (mp0) REVERT: AE 14 ASN cc_start: 0.9277 (p0) cc_final: 0.8948 (p0) REVERT: AE 17 ASP cc_start: 0.8467 (p0) cc_final: 0.8005 (p0) REVERT: AE 33 VAL cc_start: 0.8403 (t) cc_final: 0.8061 (t) REVERT: AE 138 MET cc_start: 0.5958 (mmt) cc_final: 0.5555 (mmt) REVERT: AE 165 THR cc_start: 0.7830 (p) cc_final: 0.7487 (p) REVERT: AE 179 GLU cc_start: 0.7964 (pt0) cc_final: 0.7752 (pp20) REVERT: AE 193 ILE cc_start: 0.6468 (pt) cc_final: 0.6179 (pt) REVERT: AF 3 LEU cc_start: 0.7968 (mt) cc_final: 0.7492 (mt) REVERT: AF 10 VAL cc_start: 0.9136 (t) cc_final: 0.8811 (t) REVERT: AF 17 ASP cc_start: 0.7959 (m-30) cc_final: 0.7168 (m-30) REVERT: AF 50 THR cc_start: 0.9580 (p) cc_final: 0.9253 (p) REVERT: AF 55 LYS cc_start: 0.8438 (mtmt) cc_final: 0.8141 (tptp) REVERT: AF 58 GLU cc_start: 0.8078 (pm20) cc_final: 0.7467 (pm20) REVERT: AF 134 THR cc_start: 0.8788 (t) cc_final: 0.8470 (t) REVERT: AF 171 MET cc_start: 0.7496 (tpt) cc_final: 0.6037 (tpt) REVERT: AF 173 ASN cc_start: 0.6889 (m-40) cc_final: 0.6505 (m-40) REVERT: AI 114 MET cc_start: 0.7124 (ttt) cc_final: 0.6764 (ttt) REVERT: AI 137 ASN cc_start: 0.8151 (p0) cc_final: 0.7924 (p0) REVERT: AI 156 LEU cc_start: 0.6957 (pp) cc_final: 0.6721 (pp) REVERT: AJ 19 VAL cc_start: 0.9423 (p) cc_final: 0.9031 (p) REVERT: AJ 33 VAL cc_start: 0.8578 (t) cc_final: 0.7919 (t) REVERT: AJ 49 ARG cc_start: 0.7364 (tpp80) cc_final: 0.6956 (tpp80) REVERT: AJ 114 MET cc_start: 0.5471 (ptp) cc_final: 0.5262 (ptp) REVERT: AJ 133 LYS cc_start: 0.8369 (ttmm) cc_final: 0.7878 (ttmm) REVERT: AJ 136 LYS cc_start: 0.8589 (tmmt) cc_final: 0.7739 (ttpp) REVERT: AJ 149 ASN cc_start: 0.8772 (t0) cc_final: 0.8564 (t0) REVERT: AJ 173 ASN cc_start: 0.7018 (m110) cc_final: 0.6764 (m110) REVERT: AK 11 VAL cc_start: 0.9018 (t) cc_final: 0.8681 (p) REVERT: AK 171 MET cc_start: 0.9154 (mmp) cc_final: 0.8381 (mmm) REVERT: AK 174 LYS cc_start: 0.8947 (ptpt) cc_final: 0.8606 (ptpt) REVERT: AK 177 ASP cc_start: 0.7868 (t70) cc_final: 0.7268 (t70) REVERT: AL 26 GLU cc_start: 0.3651 (mm-30) cc_final: 0.3413 (mm-30) REVERT: AL 55 LYS cc_start: 0.8966 (mtmt) cc_final: 0.8224 (mtmt) REVERT: AL 138 MET cc_start: 0.6814 (mmp) cc_final: 0.6544 (mmt) REVERT: AL 153 GLN cc_start: 0.8204 (mp-120) cc_final: 0.7939 (mm-40) REVERT: AL 165 THR cc_start: 0.7336 (p) cc_final: 0.7107 (p) REVERT: AL 171 MET cc_start: 0.7344 (mmm) cc_final: 0.6653 (mmm) REVERT: AM 53 GLU cc_start: 0.8067 (tp30) cc_final: 0.7688 (tp30) REVERT: AM 57 THR cc_start: 0.9184 (p) cc_final: 0.7998 (p) REVERT: AM 64 ASP cc_start: 0.8093 (t0) cc_final: 0.7718 (t0) REVERT: AM 214 LYS cc_start: 0.8057 (pptt) cc_final: 0.7624 (ttmm) REVERT: AN 122 LEU cc_start: 0.8185 (tp) cc_final: 0.7955 (tp) REVERT: AO 34 ILE cc_start: 0.8869 (pt) cc_final: 0.8554 (pt) REVERT: AO 137 ASN cc_start: 0.8375 (p0) cc_final: 0.8120 (p0) REVERT: AP 19 VAL cc_start: 0.9305 (p) cc_final: 0.9085 (p) REVERT: AP 29 LEU cc_start: 0.8739 (tp) cc_final: 0.8508 (tp) REVERT: AP 36 MET cc_start: 0.7928 (ptp) cc_final: 0.7451 (ptp) REVERT: AP 42 GLN cc_start: 0.8194 (mp10) cc_final: 0.7779 (mp10) REVERT: AP 49 ARG cc_start: 0.7612 (tpp80) cc_final: 0.6321 (tpp80) REVERT: AP 133 LYS cc_start: 0.7989 (tttm) cc_final: 0.7281 (tttm) REVERT: AP 136 LYS cc_start: 0.8598 (tmmt) cc_final: 0.7342 (tmmt) REVERT: AP 137 ASN cc_start: 0.7711 (m-40) cc_final: 0.7027 (m-40) REVERT: AP 138 MET cc_start: 0.7604 (ppp) cc_final: 0.6963 (ppp) REVERT: AQ 11 VAL cc_start: 0.9118 (t) cc_final: 0.8562 (p) REVERT: AQ 15 LEU cc_start: 0.8234 (mt) cc_final: 0.7934 (mt) REVERT: AQ 33 VAL cc_start: 0.8453 (t) cc_final: 0.8189 (t) REVERT: AQ 34 ILE cc_start: 0.8875 (mt) cc_final: 0.7882 (mt) REVERT: AQ 138 MET cc_start: 0.6047 (mmt) cc_final: 0.5496 (tpt) REVERT: AQ 147 LYS cc_start: 0.8144 (ptpp) cc_final: 0.7759 (pttm) REVERT: AQ 171 MET cc_start: 0.9292 (mmp) cc_final: 0.8534 (mmp) REVERT: AQ 188 LEU cc_start: 0.8621 (mt) cc_final: 0.8275 (mt) REVERT: AR 3 LEU cc_start: 0.8012 (mt) cc_final: 0.7540 (mt) REVERT: AR 43 LEU cc_start: 0.8956 (tp) cc_final: 0.8595 (tp) REVERT: AR 55 LYS cc_start: 0.9060 (mtmt) cc_final: 0.8577 (mtpt) REVERT: AR 97 LEU cc_start: 0.9197 (mt) cc_final: 0.8979 (mt) REVERT: AR 118 LEU cc_start: 0.8282 (mt) cc_final: 0.8057 (pp) REVERT: AR 120 ARG cc_start: 0.7500 (ptp-110) cc_final: 0.7158 (mtm-85) REVERT: AS 19 VAL cc_start: 0.8846 (t) cc_final: 0.8550 (t) REVERT: AS 56 ARG cc_start: 0.7305 (tpm170) cc_final: 0.6447 (tpm170) REVERT: AS 171 MET cc_start: 0.7577 (mmp) cc_final: 0.7253 (mmm) REVERT: AS 208 ASP cc_start: 0.7672 (m-30) cc_final: 0.7296 (m-30) REVERT: AS 214 LYS cc_start: 0.7841 (pptt) cc_final: 0.7440 (ttmm) REVERT: AU 34 ILE cc_start: 0.8878 (mt) cc_final: 0.8571 (mt) REVERT: AU 137 ASN cc_start: 0.8090 (p0) cc_final: 0.7764 (p0) REVERT: AV 33 VAL cc_start: 0.9025 (t) cc_final: 0.8823 (t) REVERT: AV 34 ILE cc_start: 0.8938 (pt) cc_final: 0.8160 (pt) REVERT: AV 36 MET cc_start: 0.7832 (ptp) cc_final: 0.7162 (ptp) REVERT: AV 42 GLN cc_start: 0.8529 (mp-120) cc_final: 0.8009 (mp10) REVERT: AV 49 ARG cc_start: 0.7332 (tpp80) cc_final: 0.6730 (tpp80) REVERT: AV 134 THR cc_start: 0.8720 (p) cc_final: 0.8052 (p) REVERT: AV 135 LYS cc_start: 0.8843 (mmpt) cc_final: 0.8113 (mmmt) REVERT: AV 136 LYS cc_start: 0.8820 (tmmt) cc_final: 0.8003 (ttpp) REVERT: AV 144 LYS cc_start: 0.8108 (mttt) cc_final: 0.7717 (mttt) REVERT: AV 149 ASN cc_start: 0.8740 (t0) cc_final: 0.8316 (t0) REVERT: AV 168 PHE cc_start: 0.6936 (t80) cc_final: 0.5827 (t80) REVERT: AV 173 ASN cc_start: 0.7954 (m-40) cc_final: 0.7623 (m-40) outliers start: 4 outliers final: 2 residues processed: 4979 average time/residue: 1.2069 time to fit residues: 10318.5944 Evaluate side-chains 3809 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 3807 time to evaluate : 10.648 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1764 random chunks: chunk 1051 optimal weight: 5.9990 chunk 678 optimal weight: 6.9990 chunk 1015 optimal weight: 3.9990 chunk 512 optimal weight: 5.9990 chunk 334 optimal weight: 5.9990 chunk 329 optimal weight: 3.9990 chunk 1080 optimal weight: 8.9990 chunk 1158 optimal weight: 4.9990 chunk 840 optimal weight: 9.9990 chunk 158 optimal weight: 0.8980 chunk 1336 optimal weight: 9.9990 overall best weight: 3.9788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** D 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 117 ASN C 149 ASN ** C 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 105 GLN ** E 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 16 ASN A 117 ASN ** A 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 154 GLN B 31 GLN ** B 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 173 ASN ** I 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 154 GLN ** L 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 117 ASN ** O 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 196 GLN ** P 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 66 GLN ** P 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 117 ASN Q 154 GLN ** R 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 62 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 117 ASN ** R 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 183 GLN ** S 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 105 GLN ** U 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 173 ASN ** U 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 117 ASN ** X 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 121 ASN Y 173 ASN ** Z 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 117 ASN ** Z 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 117 ASN ** 2 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 154 GLN ** 2 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 66 GLN ** 3 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 121 ASN ** 4 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 121 ASN ** 8 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 154 GLN ** 8 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 173 ASN ** b 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 173 ASN ** c 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 137 ASN d 149 ASN e 121 ASN ** e 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 173 ASN ** g 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 117 ASN ** h 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 149 ASN ** h 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 37 GLN ** i 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 105 GLN i 117 ASN ** i 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 173 ASN ** j 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 121 ASN ** k 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 154 GLN ** l 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 173 ASN ** n 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 137 ASN ** o 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 16 ASN ** q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 154 GLN ** r 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 149 ASN ** t 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 196 GLN ** v 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 117 ASN w 154 GLN ** w 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 42 GLN ** x 62 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 117 ASN ** x 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 105 GLN AA 111 GLN ** AA 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 117 ASN ** AC 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 121 ASN AE 173 ASN ** AF 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AF 117 ASN ** AF 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 117 ASN AH 66 GLN AH 107 GLN ** AH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 154 GLN ** AI 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AK 121 ASN ** AK 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AN 62 ASN ** AN 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 154 GLN ** AO 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 63 GLN ** AR 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 173 ASN ** AR 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 173 ASN Total number of N/Q/H flips: 68 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6651 moved from start: 1.0474 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.086 139006 Z= 0.296 Angle : 0.806 12.906 186606 Z= 0.447 Chirality : 0.041 0.326 21644 Planarity : 0.005 0.106 24962 Dihedral : 7.199 174.516 19390 Min Nonbonded Distance : 1.948 Molprobity Statistics. All-atom Clashscore : 30.37 Ramachandran Plot: Outliers : 0.16 % Allowed : 1.44 % Favored : 98.41 % Rotamer: Outliers : 0.00 % Allowed : 2.21 % Favored : 97.79 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.96 (0.06), residues: 17808 helix: 1.57 (0.04), residues: 16604 sheet: None (None), residues: 0 loop : -2.05 (0.14), residues: 1204 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.018 0.001 TRPAE 71 PHE 0.037 0.002 PHEAL 168 TYR 0.052 0.003 TYR j 104 ARG 0.014 0.001 ARG N 60 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4719 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4719 time to evaluate : 11.557 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 11 VAL cc_start: 0.9148 (t) cc_final: 0.8817 (p) REVERT: D 34 ILE cc_start: 0.8903 (mt) cc_final: 0.8663 (mm) REVERT: D 138 MET cc_start: 0.5893 (mmt) cc_final: 0.5463 (mmm) REVERT: D 147 LYS cc_start: 0.7800 (ptpp) cc_final: 0.7511 (pttm) REVERT: D 171 MET cc_start: 0.9293 (mmp) cc_final: 0.8665 (mmm) REVERT: C 18 LEU cc_start: 0.9009 (mm) cc_final: 0.8805 (mm) REVERT: C 26 GLU cc_start: 0.4949 (mm-30) cc_final: 0.4639 (mm-30) REVERT: C 34 ILE cc_start: 0.8793 (mt) cc_final: 0.8472 (mt) REVERT: C 41 VAL cc_start: 0.8516 (p) cc_final: 0.8243 (p) REVERT: C 138 MET cc_start: 0.7462 (mmm) cc_final: 0.7064 (mmt) REVERT: C 139 LEU cc_start: 0.8458 (mt) cc_final: 0.8199 (mt) REVERT: C 153 GLN cc_start: 0.8615 (mp-120) cc_final: 0.8317 (mm-40) REVERT: C 173 ASN cc_start: 0.8168 (m-40) cc_final: 0.7828 (m-40) REVERT: E 203 SER cc_start: 0.8685 (m) cc_final: 0.8302 (p) REVERT: F 60 ARG cc_start: 0.6254 (mtm110) cc_final: 0.5933 (mtp180) REVERT: F 138 MET cc_start: 0.3530 (ttt) cc_final: 0.2786 (ttt) REVERT: F 171 MET cc_start: 0.6977 (ptp) cc_final: 0.6663 (ptp) REVERT: A 17 ASP cc_start: 0.7091 (t0) cc_final: 0.6511 (t0) REVERT: A 114 MET cc_start: 0.7515 (ttt) cc_final: 0.7195 (ttt) REVERT: A 137 ASN cc_start: 0.8334 (p0) cc_final: 0.8060 (p0) REVERT: A 193 ILE cc_start: 0.9005 (pt) cc_final: 0.8175 (pt) REVERT: B 19 VAL cc_start: 0.9139 (p) cc_final: 0.8921 (p) REVERT: B 33 VAL cc_start: 0.8988 (t) cc_final: 0.8603 (t) REVERT: B 40 LEU cc_start: 0.8529 (mm) cc_final: 0.8293 (mp) REVERT: B 49 ARG cc_start: 0.7679 (tpp80) cc_final: 0.6991 (tpp80) REVERT: B 129 ILE cc_start: 0.8496 (tt) cc_final: 0.8161 (tt) REVERT: B 133 LYS cc_start: 0.8318 (ttmm) cc_final: 0.7878 (ttmm) REVERT: B 136 LYS cc_start: 0.8953 (tmmt) cc_final: 0.7724 (ttpp) REVERT: B 137 ASN cc_start: 0.7751 (m-40) cc_final: 0.7415 (m-40) REVERT: B 168 PHE cc_start: 0.6505 (t80) cc_final: 0.6234 (t80) REVERT: G 11 VAL cc_start: 0.9004 (t) cc_final: 0.8713 (p) REVERT: G 26 GLU cc_start: 0.5491 (tp30) cc_final: 0.5251 (tp30) REVERT: G 27 LYS cc_start: 0.7440 (ttpp) cc_final: 0.6968 (ttpp) REVERT: G 36 MET cc_start: 0.6814 (tmm) cc_final: 0.6545 (tmm) REVERT: G 43 LEU cc_start: 0.8791 (tp) cc_final: 0.8391 (tp) REVERT: G 64 ASP cc_start: 0.8633 (p0) cc_final: 0.8245 (p0) REVERT: H 16 ASN cc_start: 0.7845 (m-40) cc_final: 0.7097 (m-40) REVERT: H 41 VAL cc_start: 0.8430 (p) cc_final: 0.8179 (p) REVERT: H 93 ARG cc_start: 0.7383 (mmp80) cc_final: 0.7117 (mmp80) REVERT: H 139 LEU cc_start: 0.8491 (mt) cc_final: 0.8079 (mt) REVERT: H 171 MET cc_start: 0.7366 (mmm) cc_final: 0.6842 (tpp) REVERT: I 53 GLU cc_start: 0.7601 (tp30) cc_final: 0.7222 (tp30) REVERT: I 149 ASN cc_start: 0.8160 (m110) cc_final: 0.7828 (m110) REVERT: I 214 LYS cc_start: 0.8020 (pptt) cc_final: 0.7631 (ttmm) REVERT: J 122 LEU cc_start: 0.7724 (tp) cc_final: 0.7379 (tp) REVERT: J 125 LEU cc_start: 0.7864 (tp) cc_final: 0.7658 (tp) REVERT: K 35 ASP cc_start: 0.8487 (m-30) cc_final: 0.8266 (m-30) REVERT: K 43 LEU cc_start: 0.8552 (tp) cc_final: 0.8262 (tp) REVERT: K 137 ASN cc_start: 0.8525 (p0) cc_final: 0.7932 (p0) REVERT: K 193 ILE cc_start: 0.9176 (pt) cc_final: 0.8891 (pt) REVERT: L 35 ASP cc_start: 0.7458 (t0) cc_final: 0.6970 (t0) REVERT: L 38 GLU cc_start: 0.8056 (pp20) cc_final: 0.7833 (pp20) REVERT: L 42 GLN cc_start: 0.8812 (mp-120) cc_final: 0.8135 (mp-120) REVERT: L 114 MET cc_start: 0.7149 (pmm) cc_final: 0.6698 (pmm) REVERT: L 168 PHE cc_start: 0.6868 (t80) cc_final: 0.6593 (t80) REVERT: L 169 GLU cc_start: 0.7655 (mp0) cc_final: 0.6733 (mp0) REVERT: L 171 MET cc_start: 0.8965 (mmp) cc_final: 0.8588 (mmp) REVERT: L 173 ASN cc_start: 0.8018 (m-40) cc_final: 0.6322 (m-40) REVERT: M 17 ASP cc_start: 0.8601 (p0) cc_final: 0.8179 (p0) REVERT: M 33 VAL cc_start: 0.8509 (t) cc_final: 0.7888 (t) REVERT: M 34 ILE cc_start: 0.8633 (mt) cc_final: 0.7900 (mt) REVERT: M 138 MET cc_start: 0.5220 (mmm) cc_final: 0.4520 (mmm) REVERT: M 171 MET cc_start: 0.9061 (mmp) cc_final: 0.8231 (mmp) REVERT: M 174 LYS cc_start: 0.9150 (ptpt) cc_final: 0.8356 (ptpt) REVERT: N 55 LYS cc_start: 0.9191 (mtmt) cc_final: 0.8580 (tptp) REVERT: N 120 ARG cc_start: 0.7809 (ptp-110) cc_final: 0.7291 (mtm-85) REVERT: N 156 LEU cc_start: 0.9557 (mt) cc_final: 0.8841 (mt) REVERT: N 171 MET cc_start: 0.8188 (mmm) cc_final: 0.7762 (mmm) REVERT: O 57 THR cc_start: 0.8807 (p) cc_final: 0.8203 (p) REVERT: O 64 ASP cc_start: 0.7608 (t0) cc_final: 0.7231 (t0) REVERT: O 115 SER cc_start: 0.8858 (m) cc_final: 0.8618 (p) REVERT: Q 34 ILE cc_start: 0.8785 (pt) cc_final: 0.8519 (pt) REVERT: Q 35 ASP cc_start: 0.8899 (m-30) cc_final: 0.8619 (m-30) REVERT: Q 137 ASN cc_start: 0.7944 (p0) cc_final: 0.7603 (p0) REVERT: R 29 LEU cc_start: 0.8808 (tp) cc_final: 0.8576 (tp) REVERT: R 33 VAL cc_start: 0.9312 (t) cc_final: 0.9073 (t) REVERT: R 34 ILE cc_start: 0.8742 (pt) cc_final: 0.8141 (pt) REVERT: R 49 ARG cc_start: 0.7298 (tpp-160) cc_final: 0.6450 (tpp80) REVERT: R 62 ASN cc_start: 0.8273 (m-40) cc_final: 0.8018 (p0) REVERT: R 135 LYS cc_start: 0.8701 (mmpt) cc_final: 0.8325 (mmmt) REVERT: R 136 LYS cc_start: 0.9070 (tmmt) cc_final: 0.8089 (tmtt) REVERT: R 138 MET cc_start: 0.8037 (tmm) cc_final: 0.7732 (tmm) REVERT: R 149 ASN cc_start: 0.9017 (t0) cc_final: 0.8795 (t0) REVERT: S 33 VAL cc_start: 0.8418 (t) cc_final: 0.7249 (t) REVERT: S 155 THR cc_start: 0.8681 (p) cc_final: 0.8408 (p) REVERT: S 171 MET cc_start: 0.9070 (mmp) cc_final: 0.8412 (mmp) REVERT: T 16 ASN cc_start: 0.7849 (m-40) cc_final: 0.7526 (m-40) REVERT: T 18 LEU cc_start: 0.8812 (mm) cc_final: 0.8605 (mm) REVERT: T 37 GLN cc_start: 0.8037 (mp-120) cc_final: 0.7667 (mp-120) REVERT: T 43 LEU cc_start: 0.9124 (tp) cc_final: 0.8734 (tp) REVERT: T 139 LEU cc_start: 0.8758 (mt) cc_final: 0.8541 (mt) REVERT: T 153 GLN cc_start: 0.8272 (mp-120) cc_final: 0.8043 (mm-40) REVERT: T 169 GLU cc_start: 0.7727 (mp0) cc_final: 0.7483 (mp0) REVERT: T 171 MET cc_start: 0.6522 (tpt) cc_final: 0.6043 (tpt) REVERT: U 171 MET cc_start: 0.7856 (mmp) cc_final: 0.7548 (mmp) REVERT: W 121 ASN cc_start: 0.8698 (m110) cc_final: 0.8338 (m110) REVERT: X 3 LEU cc_start: 0.8260 (pp) cc_final: 0.8049 (pt) REVERT: X 16 ASN cc_start: 0.8995 (p0) cc_final: 0.8777 (p0) REVERT: X 25 PRO cc_start: 0.6690 (Cg_exo) cc_final: 0.5787 (Cg_endo) REVERT: X 34 ILE cc_start: 0.9499 (pt) cc_final: 0.9083 (pt) REVERT: X 42 GLN cc_start: 0.8971 (mp-120) cc_final: 0.8338 (mp-120) REVERT: X 114 MET cc_start: 0.6275 (ptp) cc_final: 0.5975 (ptp) REVERT: X 133 LYS cc_start: 0.8268 (ttmm) cc_final: 0.7877 (ttmm) REVERT: X 135 LYS cc_start: 0.9085 (mmpt) cc_final: 0.8249 (mmmt) REVERT: X 136 LYS cc_start: 0.8909 (tmmt) cc_final: 0.8377 (ttpp) REVERT: X 149 ASN cc_start: 0.8217 (t0) cc_final: 0.7999 (t0) REVERT: Y 17 ASP cc_start: 0.8674 (p0) cc_final: 0.8144 (p0) REVERT: Y 138 MET cc_start: 0.5667 (mmt) cc_final: 0.4990 (mmt) REVERT: Y 174 LYS cc_start: 0.8845 (ptpt) cc_final: 0.8615 (ptpt) REVERT: Z 34 ILE cc_start: 0.9139 (pt) cc_final: 0.8505 (pt) REVERT: Z 40 LEU cc_start: 0.8918 (tp) cc_final: 0.8678 (tp) REVERT: Z 45 GLN cc_start: 0.7608 (tm-30) cc_final: 0.7104 (tm-30) REVERT: Z 49 ARG cc_start: 0.7198 (pmt-80) cc_final: 0.6885 (pmt-80) REVERT: Z 118 LEU cc_start: 0.9012 (mt) cc_final: 0.8770 (mt) REVERT: Z 173 ASN cc_start: 0.7384 (m-40) cc_final: 0.6940 (m-40) REVERT: 0 64 ASP cc_start: 0.7373 (t0) cc_final: 0.7138 (t0) REVERT: 0 114 MET cc_start: 0.8053 (ptp) cc_final: 0.7807 (ptm) REVERT: 0 133 LYS cc_start: 0.7862 (mmmt) cc_final: 0.7381 (mmmt) REVERT: 2 35 ASP cc_start: 0.8690 (m-30) cc_final: 0.8479 (m-30) REVERT: 2 137 ASN cc_start: 0.8436 (p0) cc_final: 0.8159 (p0) REVERT: 3 25 PRO cc_start: 0.7102 (Cg_exo) cc_final: 0.6874 (Cg_endo) REVERT: 3 29 LEU cc_start: 0.8598 (tp) cc_final: 0.8260 (tp) REVERT: 3 49 ARG cc_start: 0.7487 (tpp80) cc_final: 0.6822 (tpp80) REVERT: 3 136 LYS cc_start: 0.8682 (tmmt) cc_final: 0.8138 (tmtt) REVERT: 3 149 ASN cc_start: 0.8727 (t0) cc_final: 0.8506 (t0) REVERT: 4 11 VAL cc_start: 0.8839 (t) cc_final: 0.8632 (p) REVERT: 4 37 GLN cc_start: 0.8886 (mp10) cc_final: 0.8488 (mp10) REVERT: 4 147 LYS cc_start: 0.7768 (ptpp) cc_final: 0.7537 (pttm) REVERT: 4 171 MET cc_start: 0.9310 (mmp) cc_final: 0.8830 (mmm) REVERT: 4 177 ASP cc_start: 0.7541 (t70) cc_final: 0.7265 (t70) REVERT: 5 26 GLU cc_start: 0.3828 (mm-30) cc_final: 0.3544 (mm-30) REVERT: 5 27 LYS cc_start: 0.6870 (tttt) cc_final: 0.6462 (tttp) REVERT: 5 120 ARG cc_start: 0.7643 (ptp-110) cc_final: 0.7217 (mtm-85) REVERT: 5 133 LYS cc_start: 0.7956 (ttmm) cc_final: 0.7659 (ttmm) REVERT: 5 155 THR cc_start: 0.9300 (p) cc_final: 0.9068 (p) REVERT: 5 171 MET cc_start: 0.7983 (mmm) cc_final: 0.6919 (mmm) REVERT: 5 173 ASN cc_start: 0.7642 (m-40) cc_final: 0.7278 (m-40) REVERT: 6 53 GLU cc_start: 0.7977 (tp30) cc_final: 0.7603 (tp30) REVERT: 6 64 ASP cc_start: 0.8224 (t0) cc_final: 0.7668 (t0) REVERT: 6 214 LYS cc_start: 0.8170 (pptt) cc_final: 0.7692 (ttmm) REVERT: 7 36 MET cc_start: 0.6507 (ptm) cc_final: 0.6226 (ptm) REVERT: 7 122 LEU cc_start: 0.7648 (tp) cc_final: 0.7261 (tp) REVERT: 8 34 ILE cc_start: 0.8959 (pt) cc_final: 0.8552 (pt) REVERT: 9 33 VAL cc_start: 0.8877 (t) cc_final: 0.8489 (t) REVERT: 9 42 GLN cc_start: 0.8370 (mp10) cc_final: 0.7770 (mp10) REVERT: 9 133 LYS cc_start: 0.8090 (tttm) cc_final: 0.7790 (tttm) REVERT: 9 136 LYS cc_start: 0.8582 (tmmt) cc_final: 0.7183 (ttpp) REVERT: 9 138 MET cc_start: 0.7606 (ppp) cc_final: 0.7111 (ppp) REVERT: 9 171 MET cc_start: 0.8798 (mmp) cc_final: 0.8584 (mmp) REVERT: a 10 VAL cc_start: 0.9088 (t) cc_final: 0.8819 (t) REVERT: a 11 VAL cc_start: 0.9080 (t) cc_final: 0.8705 (p) REVERT: a 147 LYS cc_start: 0.8090 (ptpp) cc_final: 0.7841 (pttm) REVERT: a 171 MET cc_start: 0.9336 (mmp) cc_final: 0.8517 (mmp) REVERT: a 172 GLU cc_start: 0.8232 (pm20) cc_final: 0.7533 (pm20) REVERT: b 16 ASN cc_start: 0.7721 (m-40) cc_final: 0.7471 (m-40) REVERT: b 34 ILE cc_start: 0.8646 (pt) cc_final: 0.7751 (pt) REVERT: b 97 LEU cc_start: 0.9247 (mt) cc_final: 0.9036 (mt) REVERT: c 19 VAL cc_start: 0.8905 (t) cc_final: 0.8646 (t) REVERT: c 34 ILE cc_start: 0.8743 (mm) cc_final: 0.8509 (mm) REVERT: c 35 ASP cc_start: 0.7627 (m-30) cc_final: 0.7285 (m-30) REVERT: c 57 THR cc_start: 0.8947 (p) cc_final: 0.8420 (p) REVERT: c 64 ASP cc_start: 0.7605 (t0) cc_final: 0.7149 (t0) REVERT: c 214 LYS cc_start: 0.7833 (pptt) cc_final: 0.7355 (ttmm) REVERT: e 17 ASP cc_start: 0.7531 (t70) cc_final: 0.7183 (t0) REVERT: e 121 ASN cc_start: 0.8524 (m110) cc_final: 0.8321 (m110) REVERT: e 137 ASN cc_start: 0.8172 (p0) cc_final: 0.7942 (p0) REVERT: f 42 GLN cc_start: 0.8588 (mp-120) cc_final: 0.8102 (mp10) REVERT: f 135 LYS cc_start: 0.8736 (mmpt) cc_final: 0.7887 (mmmt) REVERT: g 11 VAL cc_start: 0.9047 (t) cc_final: 0.8549 (p) REVERT: g 45 GLN cc_start: 0.7424 (tp40) cc_final: 0.7124 (tp40) REVERT: g 64 ASP cc_start: 0.8394 (p0) cc_final: 0.7575 (p0) REVERT: g 129 ILE cc_start: 0.9133 (mt) cc_final: 0.8806 (mt) REVERT: g 138 MET cc_start: 0.5980 (mmm) cc_final: 0.5346 (tpp) REVERT: g 171 MET cc_start: 0.9249 (mmp) cc_final: 0.8463 (mmm) REVERT: g 181 THR cc_start: 0.9665 (p) cc_final: 0.9458 (p) REVERT: h 40 LEU cc_start: 0.9003 (tp) cc_final: 0.8797 (tp) REVERT: h 43 LEU cc_start: 0.9238 (tp) cc_final: 0.9030 (tp) REVERT: h 138 MET cc_start: 0.6242 (mmp) cc_final: 0.5912 (mmp) REVERT: h 153 GLN cc_start: 0.8602 (mp-120) cc_final: 0.8379 (mm-40) REVERT: h 173 ASN cc_start: 0.8098 (m-40) cc_final: 0.7736 (m-40) REVERT: i 57 THR cc_start: 0.8893 (p) cc_final: 0.7765 (p) REVERT: i 171 MET cc_start: 0.7751 (mmp) cc_final: 0.7550 (mmp) REVERT: j 138 MET cc_start: 0.6352 (ptp) cc_final: 0.6064 (ptp) REVERT: l 10 VAL cc_start: 0.9418 (t) cc_final: 0.9122 (t) REVERT: l 42 GLN cc_start: 0.8759 (mp-120) cc_final: 0.7974 (mp10) REVERT: l 135 LYS cc_start: 0.9002 (mmpt) cc_final: 0.8192 (mmmt) REVERT: l 136 LYS cc_start: 0.8727 (tmmt) cc_final: 0.7997 (tmtt) REVERT: l 138 MET cc_start: 0.7004 (ppp) cc_final: 0.6349 (ppp) REVERT: l 149 ASN cc_start: 0.8754 (t0) cc_final: 0.8543 (t0) REVERT: l 168 PHE cc_start: 0.6676 (t80) cc_final: 0.5460 (t80) REVERT: l 173 ASN cc_start: 0.7269 (m-40) cc_final: 0.6736 (m-40) REVERT: m 11 VAL cc_start: 0.9007 (t) cc_final: 0.8766 (p) REVERT: m 64 ASP cc_start: 0.8667 (p0) cc_final: 0.8432 (p0) REVERT: m 114 MET cc_start: 0.6238 (tpp) cc_final: 0.6003 (tpp) REVERT: m 118 LEU cc_start: 0.8958 (mt) cc_final: 0.8703 (mt) REVERT: m 138 MET cc_start: 0.5380 (mmt) cc_final: 0.5057 (mmm) REVERT: m 139 LEU cc_start: 0.7806 (tp) cc_final: 0.7605 (tp) REVERT: n 16 ASN cc_start: 0.8180 (m-40) cc_final: 0.7756 (t0) REVERT: n 17 ASP cc_start: 0.7992 (m-30) cc_final: 0.7537 (m-30) REVERT: n 67 GLU cc_start: 0.7416 (mp0) cc_final: 0.7189 (mp0) REVERT: n 117 ASN cc_start: 0.7931 (m110) cc_final: 0.7707 (m110) REVERT: n 139 LEU cc_start: 0.8662 (mt) cc_final: 0.8270 (mt) REVERT: n 171 MET cc_start: 0.7614 (mmm) cc_final: 0.7328 (tpp) REVERT: o 53 GLU cc_start: 0.7975 (tp30) cc_final: 0.7625 (tp30) REVERT: o 149 ASN cc_start: 0.7985 (m110) cc_final: 0.7607 (m110) REVERT: o 171 MET cc_start: 0.8356 (mmp) cc_final: 0.7694 (mmm) REVERT: o 214 LYS cc_start: 0.7828 (pptt) cc_final: 0.7623 (ttmm) REVERT: p 104 TYR cc_start: 0.6562 (m-10) cc_final: 0.6333 (m-10) REVERT: q 137 ASN cc_start: 0.8233 (p0) cc_final: 0.7832 (p0) REVERT: r 28 VAL cc_start: 0.9175 (m) cc_final: 0.8951 (m) REVERT: r 33 VAL cc_start: 0.9514 (t) cc_final: 0.8990 (t) REVERT: r 34 ILE cc_start: 0.8632 (pt) cc_final: 0.7766 (pt) REVERT: r 35 ASP cc_start: 0.6041 (t0) cc_final: 0.5755 (t0) REVERT: r 42 GLN cc_start: 0.8761 (mp-120) cc_final: 0.8342 (mp-120) REVERT: r 136 LYS cc_start: 0.9104 (tmmt) cc_final: 0.8304 (tmtt) REVERT: s 17 ASP cc_start: 0.8621 (p0) cc_final: 0.7357 (p0) REVERT: s 33 VAL cc_start: 0.8616 (t) cc_final: 0.7984 (t) REVERT: s 34 ILE cc_start: 0.8679 (mt) cc_final: 0.8052 (mt) REVERT: s 118 LEU cc_start: 0.8863 (mt) cc_final: 0.8622 (mt) REVERT: s 138 MET cc_start: 0.5671 (mmm) cc_final: 0.5011 (mmm) REVERT: s 147 LYS cc_start: 0.8456 (ptpt) cc_final: 0.8185 (pttm) REVERT: s 171 MET cc_start: 0.9243 (mmp) cc_final: 0.8424 (mmm) REVERT: t 34 ILE cc_start: 0.8989 (pt) cc_final: 0.8026 (pt) REVERT: t 153 GLN cc_start: 0.8368 (mp10) cc_final: 0.8126 (mp10) REVERT: t 171 MET cc_start: 0.8239 (mmm) cc_final: 0.7642 (mmm) REVERT: u 64 ASP cc_start: 0.7684 (t0) cc_final: 0.7438 (t0) REVERT: u 115 SER cc_start: 0.8852 (m) cc_final: 0.8446 (p) REVERT: u 149 ASN cc_start: 0.7724 (m110) cc_final: 0.7442 (m110) REVERT: u 171 MET cc_start: 0.8105 (mmp) cc_final: 0.7811 (mmp) REVERT: w 43 LEU cc_start: 0.8321 (tp) cc_final: 0.8114 (tp) REVERT: w 137 ASN cc_start: 0.8092 (p0) cc_final: 0.7796 (p0) REVERT: x 49 ARG cc_start: 0.7306 (tpp-160) cc_final: 0.6526 (tpp80) REVERT: x 62 ASN cc_start: 0.8268 (m-40) cc_final: 0.8003 (p0) REVERT: x 135 LYS cc_start: 0.9040 (mmpt) cc_final: 0.8746 (mmmt) REVERT: x 136 LYS cc_start: 0.9035 (tmmt) cc_final: 0.8831 (tptp) REVERT: x 171 MET cc_start: 0.9397 (mmp) cc_final: 0.9110 (mmp) REVERT: y 28 VAL cc_start: 0.7698 (m) cc_final: 0.7465 (m) REVERT: y 33 VAL cc_start: 0.8421 (t) cc_final: 0.7335 (t) REVERT: y 34 ILE cc_start: 0.9192 (mt) cc_final: 0.8836 (mt) REVERT: y 171 MET cc_start: 0.9223 (mmp) cc_final: 0.8359 (mmp) REVERT: y 172 GLU cc_start: 0.8037 (pm20) cc_final: 0.7603 (pm20) REVERT: z 3 LEU cc_start: 0.8057 (mt) cc_final: 0.7742 (mt) REVERT: z 16 ASN cc_start: 0.8050 (m-40) cc_final: 0.7584 (t0) REVERT: z 18 LEU cc_start: 0.8807 (mm) cc_final: 0.8557 (mm) REVERT: z 43 LEU cc_start: 0.9158 (tp) cc_final: 0.8936 (tp) REVERT: z 147 LYS cc_start: 0.8460 (ptpp) cc_final: 0.8234 (pttm) REVERT: z 171 MET cc_start: 0.6812 (tpt) cc_final: 0.6493 (tpt) REVERT: z 173 ASN cc_start: 0.7339 (m110) cc_final: 0.6928 (m110) REVERT: AA 149 ASN cc_start: 0.7667 (m110) cc_final: 0.7366 (m110) REVERT: AD 3 LEU cc_start: 0.8128 (pp) cc_final: 0.7828 (pt) REVERT: AD 34 ILE cc_start: 0.9416 (pt) cc_final: 0.9066 (pt) REVERT: AD 42 GLN cc_start: 0.9022 (mp-120) cc_final: 0.8414 (mp-120) REVERT: AD 114 MET cc_start: 0.6214 (ptp) cc_final: 0.5901 (ptp) REVERT: AD 133 LYS cc_start: 0.8397 (ttmm) cc_final: 0.7916 (ttmm) REVERT: AD 135 LYS cc_start: 0.9081 (mmpt) cc_final: 0.8213 (mmmt) REVERT: AD 136 LYS cc_start: 0.8808 (tmmt) cc_final: 0.8302 (ttpp) REVERT: AD 139 LEU cc_start: 0.8811 (mt) cc_final: 0.8462 (mt) REVERT: AD 172 GLU cc_start: 0.8325 (pm20) cc_final: 0.7929 (pm20) REVERT: AE 17 ASP cc_start: 0.8724 (p0) cc_final: 0.8136 (p0) REVERT: AE 122 LEU cc_start: 0.8744 (tp) cc_final: 0.8497 (tp) REVERT: AE 138 MET cc_start: 0.5741 (mmt) cc_final: 0.5210 (mmt) REVERT: AF 17 ASP cc_start: 0.8112 (m-30) cc_final: 0.7897 (m-30) REVERT: AF 18 LEU cc_start: 0.9133 (mm) cc_final: 0.8694 (mm) REVERT: AF 45 GLN cc_start: 0.7745 (tm-30) cc_final: 0.7088 (tm-30) REVERT: AF 49 ARG cc_start: 0.7237 (pmt-80) cc_final: 0.6923 (pmt-80) REVERT: AF 55 LYS cc_start: 0.8560 (mtmt) cc_final: 0.8289 (tptp) REVERT: AF 58 GLU cc_start: 0.7920 (pm20) cc_final: 0.7517 (pm20) REVERT: AF 118 LEU cc_start: 0.8997 (mt) cc_final: 0.8715 (mt) REVERT: AF 173 ASN cc_start: 0.8028 (m-40) cc_final: 0.7653 (m-40) REVERT: AG 133 LYS cc_start: 0.8034 (mmmt) cc_final: 0.7591 (mmmt) REVERT: AH 138 MET cc_start: 0.5645 (mtm) cc_final: 0.4894 (mtm) REVERT: AI 35 ASP cc_start: 0.8728 (m-30) cc_final: 0.8473 (m-30) REVERT: AI 137 ASN cc_start: 0.8366 (p0) cc_final: 0.8076 (p0) REVERT: AJ 33 VAL cc_start: 0.8811 (t) cc_final: 0.8239 (t) REVERT: AJ 49 ARG cc_start: 0.7493 (tpp80) cc_final: 0.6964 (tpp80) REVERT: AJ 114 MET cc_start: 0.5783 (ptp) cc_final: 0.5429 (ptp) REVERT: AJ 133 LYS cc_start: 0.8309 (ttmm) cc_final: 0.7776 (ttmm) REVERT: AJ 136 LYS cc_start: 0.8645 (tmmt) cc_final: 0.7422 (ttpp) REVERT: AJ 149 ASN cc_start: 0.8666 (t0) cc_final: 0.8392 (t0) REVERT: AK 11 VAL cc_start: 0.8819 (t) cc_final: 0.8508 (p) REVERT: AK 37 GLN cc_start: 0.8928 (mp10) cc_final: 0.8519 (mp10) REVERT: AK 43 LEU cc_start: 0.8743 (tp) cc_final: 0.8427 (tp) REVERT: AK 147 LYS cc_start: 0.7768 (ptpp) cc_final: 0.7473 (pttm) REVERT: AK 171 MET cc_start: 0.9271 (mmp) cc_final: 0.8793 (mmm) REVERT: AK 177 ASP cc_start: 0.7542 (t70) cc_final: 0.7219 (t70) REVERT: AL 26 GLU cc_start: 0.4307 (mm-30) cc_final: 0.3923 (mm-30) REVERT: AL 37 GLN cc_start: 0.8599 (pt0) cc_final: 0.8255 (pt0) REVERT: AL 133 LYS cc_start: 0.8205 (ttmm) cc_final: 0.7989 (ttmm) REVERT: AL 138 MET cc_start: 0.6703 (mmp) cc_final: 0.6433 (mmt) REVERT: AM 35 ASP cc_start: 0.7893 (m-30) cc_final: 0.7623 (m-30) REVERT: AM 53 GLU cc_start: 0.8229 (tp30) cc_final: 0.7455 (tp30) REVERT: AM 64 ASP cc_start: 0.8091 (t0) cc_final: 0.7772 (t0) REVERT: AM 214 LYS cc_start: 0.8165 (pptt) cc_final: 0.7681 (ttmm) REVERT: AN 36 MET cc_start: 0.6390 (ptm) cc_final: 0.5316 (ptm) REVERT: AN 41 VAL cc_start: 0.8512 (t) cc_final: 0.8080 (t) REVERT: AN 49 ARG cc_start: 0.7427 (ptp90) cc_final: 0.6938 (ptt90) REVERT: AN 122 LEU cc_start: 0.8168 (tp) cc_final: 0.7871 (tp) REVERT: AP 19 VAL cc_start: 0.9360 (p) cc_final: 0.9157 (p) REVERT: AP 29 LEU cc_start: 0.8626 (tp) cc_final: 0.8402 (tp) REVERT: AP 36 MET cc_start: 0.7984 (ptp) cc_final: 0.7747 (ptp) REVERT: AP 42 GLN cc_start: 0.8689 (mp10) cc_final: 0.7694 (mp10) REVERT: AP 49 ARG cc_start: 0.7556 (tpp80) cc_final: 0.6376 (tpp80) REVERT: AP 133 LYS cc_start: 0.8092 (tttm) cc_final: 0.7061 (tttm) REVERT: AP 136 LYS cc_start: 0.8595 (tmmt) cc_final: 0.7376 (tmmt) REVERT: AP 137 ASN cc_start: 0.7696 (m-40) cc_final: 0.7040 (m-40) REVERT: AP 138 MET cc_start: 0.7541 (ppp) cc_final: 0.6957 (ppp) REVERT: AQ 11 VAL cc_start: 0.9214 (t) cc_final: 0.8789 (p) REVERT: AQ 33 VAL cc_start: 0.8484 (t) cc_final: 0.8174 (t) REVERT: AQ 34 ILE cc_start: 0.9026 (mt) cc_final: 0.8466 (mt) REVERT: AQ 168 PHE cc_start: 0.7781 (t80) cc_final: 0.7233 (t80) REVERT: AQ 171 MET cc_start: 0.9362 (mmp) cc_final: 0.8483 (mmp) REVERT: AQ 172 GLU cc_start: 0.8245 (pm20) cc_final: 0.6913 (pm20) REVERT: AR 26 GLU cc_start: 0.4613 (mm-30) cc_final: 0.3940 (mm-30) REVERT: AR 55 LYS cc_start: 0.9287 (mtmt) cc_final: 0.8783 (mttt) REVERT: AR 118 LEU cc_start: 0.9085 (mt) cc_final: 0.8689 (mt) REVERT: AR 147 LYS cc_start: 0.8380 (ptpp) cc_final: 0.8009 (ptpp) REVERT: AR 171 MET cc_start: 0.7631 (mmm) cc_final: 0.7092 (tpp) REVERT: AR 173 ASN cc_start: 0.7494 (m-40) cc_final: 0.7290 (m-40) REVERT: AS 19 VAL cc_start: 0.8855 (t) cc_final: 0.8574 (t) REVERT: AS 34 ILE cc_start: 0.8745 (mm) cc_final: 0.8347 (mm) REVERT: AS 35 ASP cc_start: 0.7851 (m-30) cc_final: 0.7625 (m-30) REVERT: AS 106 THR cc_start: 0.9017 (p) cc_final: 0.8801 (p) REVERT: AS 214 LYS cc_start: 0.7888 (pptt) cc_final: 0.7398 (ttmm) REVERT: AU 34 ILE cc_start: 0.8861 (mt) cc_final: 0.8613 (mt) REVERT: AU 137 ASN cc_start: 0.8077 (p0) cc_final: 0.7849 (p0) REVERT: AV 34 ILE cc_start: 0.9200 (pt) cc_final: 0.8955 (pt) REVERT: AV 36 MET cc_start: 0.7976 (ptp) cc_final: 0.7377 (ptp) REVERT: AV 42 GLN cc_start: 0.8575 (mp-120) cc_final: 0.8167 (mp10) REVERT: AV 114 MET cc_start: 0.6353 (ptp) cc_final: 0.5859 (ptp) REVERT: AV 135 LYS cc_start: 0.8944 (mmpt) cc_final: 0.7986 (mmmt) REVERT: AV 136 LYS cc_start: 0.8622 (tmmt) cc_final: 0.8208 (ttpp) REVERT: AV 138 MET cc_start: 0.8376 (tmm) cc_final: 0.7972 (tmm) REVERT: AV 149 ASN cc_start: 0.8905 (t0) cc_final: 0.8572 (t0) REVERT: AV 152 LEU cc_start: 0.8689 (mt) cc_final: 0.8487 (mt) REVERT: AV 168 PHE cc_start: 0.7529 (t80) cc_final: 0.7282 (t80) outliers start: 0 outliers final: 0 residues processed: 4719 average time/residue: 1.1508 time to fit residues: 9367.5901 Evaluate side-chains 3631 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3631 time to evaluate : 11.543 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1764 random chunks: chunk 1546 optimal weight: 10.0000 chunk 1628 optimal weight: 3.9990 chunk 1486 optimal weight: 10.0000 chunk 1584 optimal weight: 5.9990 chunk 953 optimal weight: 9.9990 chunk 690 optimal weight: 0.9980 chunk 1244 optimal weight: 2.9990 chunk 486 optimal weight: 0.9980 chunk 1431 optimal weight: 0.9990 chunk 1498 optimal weight: 5.9990 chunk 1578 optimal weight: 4.9990 overall best weight: 1.9986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 31 GLN ** D 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 117 ASN ** C 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 173 ASN ** F 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 121 ASN A 16 ASN ** A 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 117 ASN ** A 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 154 GLN ** B 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 117 ASN ** H 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 121 ASN ** K 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 154 GLN K 196 GLN ** L 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 154 GLN ** M 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 111 GLN O 117 ASN P 66 GLN ** P 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 154 GLN ** R 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 62 ASN R 117 ASN R 154 GLN ** R 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 42 GLN ** S 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 59 GLN ** T 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 154 GLN ** Y 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 117 ASN 0 173 ASN 1 196 GLN ** 2 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 154 GLN ** 2 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 121 ASN ** 5 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 154 GLN ** 8 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 62 ASN ** 9 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 137 ASN ** d 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 117 ASN ** h 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 37 GLN i 117 ASN ** j 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 154 GLN ** l 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 195 ASN ** n 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 117 ASN ** n 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 137 ASN o 173 ASN ** p 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 154 GLN ** r 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 154 GLN ** s 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 137 ASN ** u 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 154 GLN ** w 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 62 ASN ** x 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 117 ASN ** x 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 42 GLN ** y 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 59 GLN z 149 ASN ** z 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 16 ASN ** AC 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 173 ASN ** AC 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 31 GLN ** AD 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 173 ASN ** AD 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 107 GLN AH 66 GLN ** AH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AH 196 GLN ** AI 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 154 GLN ** AI 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AK 121 ASN ** AK 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AN 62 ASN ** AN 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 31 GLN AO 121 ASN AO 154 GLN ** AO 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 63 GLN ** AR 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AU 121 ASN ** AU 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AV 62 ASN ** AV 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 63 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6579 moved from start: 1.0697 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.110 139006 Z= 0.247 Angle : 0.808 12.800 186606 Z= 0.448 Chirality : 0.042 0.300 21644 Planarity : 0.004 0.074 24962 Dihedral : 7.089 172.819 19390 Min Nonbonded Distance : 1.976 Molprobity Statistics. All-atom Clashscore : 25.33 Ramachandran Plot: Outliers : 0.16 % Allowed : 1.50 % Favored : 98.34 % Rotamer: Outliers : 0.03 % Allowed : 1.02 % Favored : 98.95 % 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: 1.98 (0.06), residues: 17808 helix: 1.57 (0.04), residues: 16674 sheet: None (None), residues: 0 loop : -2.12 (0.15), residues: 1134 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.014 0.001 TRPAE 71 PHE 0.040 0.002 PHEAL 168 TYR 0.031 0.003 TYR U 104 ARG 0.023 0.001 ARG L 60 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4806 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 4802 time to evaluate : 11.756 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: 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symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 11 VAL cc_start: 0.9150 (t) cc_final: 0.8586 (p) REVERT: D 15 LEU cc_start: 0.8351 (mm) cc_final: 0.8096 (mm) REVERT: D 28 VAL cc_start: 0.7947 (m) cc_final: 0.7053 (p) REVERT: D 37 GLN cc_start: 0.8919 (pm20) cc_final: 0.8619 (pm20) REVERT: D 171 MET cc_start: 0.9224 (mmp) cc_final: 0.8711 (mmm) REVERT: C 18 LEU cc_start: 0.9006 (mm) cc_final: 0.8783 (mm) REVERT: C 41 VAL cc_start: 0.8269 (p) cc_final: 0.7982 (m) REVERT: C 139 LEU cc_start: 0.8492 (mt) cc_final: 0.8186 (mt) REVERT: C 149 ASN cc_start: 0.8060 (m-40) cc_final: 0.7493 (m-40) REVERT: C 172 GLU cc_start: 0.7668 (pm20) cc_final: 0.6909 (pm20) REVERT: E 57 THR cc_start: 0.8759 (p) cc_final: 0.7661 (p) REVERT: E 129 ILE cc_start: 0.9280 (mp) cc_final: 0.9076 (mp) REVERT: E 203 SER cc_start: 0.8476 (m) cc_final: 0.7997 (p) REVERT: A 114 MET cc_start: 0.7262 (ttt) cc_final: 0.6841 (ttt) REVERT: A 117 ASN cc_start: 0.5667 (m-40) cc_final: 0.4875 (m110) REVERT: A 137 ASN cc_start: 0.8420 (p0) cc_final: 0.8201 (p0) REVERT: B 33 VAL cc_start: 0.8951 (t) cc_final: 0.8491 (t) REVERT: B 49 ARG cc_start: 0.7474 (tpp80) cc_final: 0.6959 (tpp80) REVERT: B 114 MET cc_start: 0.6399 (ptp) cc_final: 0.6088 (ptp) REVERT: B 122 LEU cc_start: 0.7843 (tp) cc_final: 0.7307 (tp) REVERT: B 133 LYS cc_start: 0.8127 (ttmm) cc_final: 0.7895 (ttmm) REVERT: B 135 LYS cc_start: 0.8740 (mmpt) cc_final: 0.8259 (mmmt) REVERT: B 136 LYS cc_start: 0.8607 (tmmt) cc_final: 0.8011 (tmtt) REVERT: G 11 VAL cc_start: 0.9070 (t) cc_final: 0.8804 (p) REVERT: G 27 LYS cc_start: 0.7201 (ttpp) cc_final: 0.6637 (ttpp) REVERT: G 38 GLU cc_start: 0.7892 (pt0) cc_final: 0.7651 (pt0) REVERT: G 171 MET cc_start: 0.8985 (mmp) cc_final: 0.8124 (mmp) REVERT: H 16 ASN cc_start: 0.7940 (m-40) cc_final: 0.7285 (m-40) REVERT: H 26 GLU cc_start: 0.3458 (mm-30) cc_final: 0.3027 (mm-30) REVERT: H 41 VAL cc_start: 0.8422 (p) cc_final: 0.8170 (p) REVERT: H 147 LYS cc_start: 0.8241 (pttm) cc_final: 0.8025 (pttm) REVERT: H 171 MET cc_start: 0.7224 (mmm) cc_final: 0.6704 (tpp) REVERT: I 53 GLU cc_start: 0.7365 (tp30) cc_final: 0.7031 (tp30) REVERT: I 149 ASN cc_start: 0.7691 (m110) cc_final: 0.7325 (m110) REVERT: I 171 MET cc_start: 0.8368 (mmp) cc_final: 0.7845 (mmm) REVERT: I 197 PHE cc_start: 0.7001 (t80) cc_final: 0.6790 (t80) REVERT: I 214 LYS cc_start: 0.7979 (pptt) cc_final: 0.7603 (ttmm) REVERT: J 41 VAL cc_start: 0.8811 (t) cc_final: 0.8455 (t) REVERT: J 171 MET cc_start: 0.8017 (pmm) cc_final: 0.7778 (pmm) REVERT: K 43 LEU cc_start: 0.8452 (tp) cc_final: 0.8245 (tp) REVERT: K 137 ASN cc_start: 0.8583 (p0) cc_final: 0.7871 (p0) REVERT: K 155 THR cc_start: 0.6818 (t) cc_final: 0.6504 (t) REVERT: L 34 ILE cc_start: 0.9310 (pt) cc_final: 0.9011 (pt) REVERT: L 35 ASP cc_start: 0.7031 (t0) cc_final: 0.6235 (t0) REVERT: L 42 GLN cc_start: 0.8768 (mp-120) cc_final: 0.8052 (mp-120) REVERT: L 43 LEU cc_start: 0.7549 (tt) cc_final: 0.6701 (tp) REVERT: L 70 LYS cc_start: 0.7844 (ptpp) cc_final: 0.7565 (pttm) REVERT: L 114 MET cc_start: 0.7083 (pmm) cc_final: 0.6658 (pmm) REVERT: L 134 THR cc_start: 0.8493 (p) cc_final: 0.7686 (p) REVERT: L 135 LYS cc_start: 0.8863 (mmpt) cc_final: 0.8121 (mmmt) REVERT: L 138 MET cc_start: 0.7384 (ppp) cc_final: 0.7146 (tmm) REVERT: L 171 MET cc_start: 0.8958 (mmp) cc_final: 0.8691 (mmp) REVERT: L 173 ASN cc_start: 0.7193 (m-40) cc_final: 0.6322 (m-40) REVERT: M 17 ASP cc_start: 0.8481 (p0) cc_final: 0.8278 (p0) REVERT: M 33 VAL cc_start: 0.8370 (t) cc_final: 0.7700 (t) REVERT: M 34 ILE cc_start: 0.8661 (mt) cc_final: 0.7907 (mt) REVERT: M 138 MET cc_start: 0.4882 (mmm) cc_final: 0.4334 (mmm) REVERT: M 147 LYS cc_start: 0.8285 (ptpp) cc_final: 0.7946 (pttm) REVERT: M 171 MET cc_start: 0.9056 (mmp) cc_final: 0.8112 (mmp) REVERT: M 174 LYS cc_start: 0.9094 (ptpt) cc_final: 0.8269 (ptpt) REVERT: M 177 ASP cc_start: 0.7176 (t70) cc_final: 0.6754 (t70) REVERT: M 188 LEU cc_start: 0.8679 (mt) cc_final: 0.8342 (mt) REVERT: N 26 GLU cc_start: 0.5616 (mm-30) cc_final: 0.5163 (mm-30) REVERT: N 34 ILE cc_start: 0.8835 (mt) cc_final: 0.8428 (mt) REVERT: N 53 GLU cc_start: 0.9039 (pm20) cc_final: 0.8749 (pm20) REVERT: N 55 LYS cc_start: 0.9060 (mtmt) cc_final: 0.8544 (tptp) REVERT: N 149 ASN cc_start: 0.7956 (m-40) cc_final: 0.7264 (m110) REVERT: N 171 MET cc_start: 0.8034 (mmm) cc_final: 0.7339 (mmm) REVERT: O 115 SER cc_start: 0.8899 (m) cc_final: 0.8643 (p) REVERT: Q 34 ILE cc_start: 0.8793 (pt) cc_final: 0.8413 (pt) REVERT: Q 43 LEU cc_start: 0.8407 (tp) cc_final: 0.7967 (tp) REVERT: Q 117 ASN cc_start: 0.6481 (m-40) cc_final: 0.5643 (m110) REVERT: Q 137 ASN cc_start: 0.8048 (p0) cc_final: 0.7731 (p0) REVERT: R 33 VAL cc_start: 0.9324 (t) cc_final: 0.8997 (t) REVERT: R 49 ARG cc_start: 0.7491 (tpp-160) cc_final: 0.6490 (tpp80) REVERT: R 136 LYS cc_start: 0.9203 (tmmt) cc_final: 0.8492 (tmtt) REVERT: R 149 ASN cc_start: 0.8932 (t0) cc_final: 0.8626 (t0) REVERT: S 28 VAL cc_start: 0.7886 (m) cc_final: 0.7588 (m) REVERT: S 33 VAL cc_start: 0.8422 (t) cc_final: 0.7500 (t) REVERT: S 171 MET cc_start: 0.9070 (mmp) cc_final: 0.8252 (mmp) REVERT: S 177 ASP cc_start: 0.7336 (t70) cc_final: 0.6992 (t70) REVERT: T 37 GLN cc_start: 0.8052 (mp-120) cc_final: 0.7717 (mp10) REVERT: T 43 LEU cc_start: 0.9075 (tp) cc_final: 0.8788 (tp) REVERT: T 139 LEU cc_start: 0.8843 (mt) cc_final: 0.8502 (mt) REVERT: T 147 LYS cc_start: 0.8400 (ptpp) cc_final: 0.8069 (pttm) REVERT: T 149 ASN cc_start: 0.8251 (m-40) cc_final: 0.7976 (m110) REVERT: T 171 MET cc_start: 0.6754 (tpt) cc_final: 0.6249 (tpt) REVERT: W 193 ILE cc_start: 0.9144 (pt) cc_final: 0.8913 (pt) REVERT: X 16 ASN cc_start: 0.8949 (p0) cc_final: 0.8668 (p0) REVERT: X 42 GLN cc_start: 0.9018 (mp-120) cc_final: 0.8361 (mp-120) REVERT: X 51 ILE cc_start: 0.8678 (mm) cc_final: 0.8461 (mm) REVERT: X 135 LYS cc_start: 0.8978 (mmpt) cc_final: 0.8530 (mmmt) REVERT: X 136 LYS cc_start: 0.8632 (tmmt) cc_final: 0.8223 (ttpp) REVERT: Y 138 MET cc_start: 0.5848 (mmt) cc_final: 0.5263 (mmt) REVERT: Y 147 LYS cc_start: 0.8204 (ptpp) cc_final: 0.7947 (pttm) REVERT: Y 172 GLU cc_start: 0.8075 (pm20) cc_final: 0.7556 (pm20) REVERT: Y 174 LYS cc_start: 0.8770 (ptpt) cc_final: 0.8195 (ptpp) REVERT: Z 34 ILE cc_start: 0.9364 (pt) cc_final: 0.8392 (pt) REVERT: Z 45 GLN cc_start: 0.7506 (tm-30) cc_final: 0.7225 (pp30) REVERT: Z 171 MET cc_start: 0.6809 (tpt) cc_final: 0.5983 (tpt) REVERT: Z 173 ASN cc_start: 0.7223 (m-40) cc_final: 0.6873 (m-40) REVERT: 0 57 THR cc_start: 0.8925 (p) cc_final: 0.8528 (p) REVERT: 0 114 MET cc_start: 0.7977 (ptp) cc_final: 0.7765 (ptm) REVERT: 0 133 LYS cc_start: 0.7753 (mmmt) cc_final: 0.7377 (mmmt) REVERT: 0 171 MET cc_start: 0.8335 (mmp) cc_final: 0.8094 (mmp) REVERT: 2 137 ASN cc_start: 0.8514 (p0) cc_final: 0.8292 (p0) REVERT: 3 49 ARG cc_start: 0.7251 (tpp80) cc_final: 0.6612 (tpp80) REVERT: 3 135 LYS cc_start: 0.8826 (mmpt) cc_final: 0.8383 (mmmt) REVERT: 3 136 LYS cc_start: 0.9223 (tmmt) cc_final: 0.8083 (tmtt) REVERT: 4 11 VAL cc_start: 0.8804 (t) cc_final: 0.8560 (p) REVERT: 4 14 ASN cc_start: 0.9005 (p0) cc_final: 0.8778 (p0) REVERT: 4 64 ASP cc_start: 0.8644 (p0) cc_final: 0.7943 (p0) REVERT: 4 171 MET cc_start: 0.9283 (mmp) cc_final: 0.8652 (mmp) REVERT: 4 174 LYS cc_start: 0.8853 (ptpt) cc_final: 0.8494 (ptpt) REVERT: 4 177 ASP cc_start: 0.7521 (t70) cc_final: 0.7057 (t70) REVERT: 5 26 GLU cc_start: 0.3507 (mm-30) cc_final: 0.3260 (mm-30) REVERT: 5 27 LYS cc_start: 0.6454 (tttt) cc_final: 0.5592 (tttm) REVERT: 5 120 ARG cc_start: 0.7678 (ptp-110) cc_final: 0.7299 (mtm-85) REVERT: 5 125 LEU cc_start: 0.8868 (mt) cc_final: 0.8652 (mt) REVERT: 5 133 LYS cc_start: 0.8076 (ttmm) cc_final: 0.7835 (ttmm) REVERT: 5 171 MET cc_start: 0.7647 (mmm) cc_final: 0.6912 (mmm) REVERT: 6 35 ASP cc_start: 0.7289 (m-30) cc_final: 0.7083 (m-30) REVERT: 6 36 MET cc_start: 0.7922 (ptp) cc_final: 0.7691 (ptt) REVERT: 6 64 ASP cc_start: 0.7972 (t0) cc_final: 0.7693 (t0) REVERT: 8 34 ILE cc_start: 0.8914 (pt) cc_final: 0.8633 (pt) REVERT: 8 172 GLU cc_start: 0.7260 (pt0) cc_final: 0.6805 (pt0) REVERT: 9 33 VAL cc_start: 0.8809 (t) cc_final: 0.8550 (t) REVERT: 9 42 GLN cc_start: 0.8310 (mp10) cc_final: 0.7778 (mp10) REVERT: 9 133 LYS cc_start: 0.8101 (tttm) cc_final: 0.7580 (tttm) REVERT: 9 135 LYS cc_start: 0.8883 (mmpt) cc_final: 0.8264 (mmmt) REVERT: 9 136 LYS cc_start: 0.8614 (tmmt) cc_final: 0.7168 (ttpp) REVERT: 9 138 MET cc_start: 0.7410 (ppp) cc_final: 0.6911 (ppp) REVERT: 9 168 PHE cc_start: 0.6880 (t80) cc_final: 0.6649 (t80) REVERT: a 11 VAL cc_start: 0.9094 (t) cc_final: 0.8763 (p) REVERT: a 36 MET cc_start: 0.6890 (tmm) cc_final: 0.6591 (tmm) REVERT: a 171 MET cc_start: 0.9298 (mmp) cc_final: 0.8529 (mmp) REVERT: a 172 GLU cc_start: 0.8237 (pm20) cc_final: 0.8021 (pm20) REVERT: a 177 ASP cc_start: 0.7579 (t70) cc_final: 0.7359 (t70) REVERT: a 188 LEU cc_start: 0.8837 (mt) cc_final: 0.8536 (mt) REVERT: b 26 GLU cc_start: 0.4655 (mm-30) cc_final: 0.4310 (mm-30) REVERT: b 34 ILE cc_start: 0.8474 (pt) cc_final: 0.7976 (pt) REVERT: b 120 ARG cc_start: 0.7767 (ptp-110) cc_final: 0.7382 (mtm-85) REVERT: b 138 MET cc_start: 0.6596 (mmp) cc_final: 0.6287 (mmt) REVERT: c 19 VAL cc_start: 0.8868 (t) cc_final: 0.8595 (t) REVERT: c 43 LEU cc_start: 0.8727 (mt) cc_final: 0.8514 (mt) REVERT: c 57 THR cc_start: 0.8566 (p) cc_final: 0.7813 (p) REVERT: c 64 ASP cc_start: 0.7416 (t0) cc_final: 0.6961 (t0) REVERT: c 214 LYS cc_start: 0.7914 (pptt) cc_final: 0.7471 (ttpp) REVERT: d 171 MET cc_start: 0.8203 (pmm) cc_final: 0.7983 (pmm) REVERT: e 15 LEU cc_start: 0.8560 (mm) cc_final: 0.8230 (mm) REVERT: e 17 ASP cc_start: 0.7110 (t70) cc_final: 0.6275 (t0) REVERT: e 34 ILE cc_start: 0.9030 (mt) cc_final: 0.8705 (mt) REVERT: f 34 ILE cc_start: 0.9064 (pt) cc_final: 0.7823 (pt) REVERT: f 43 LEU cc_start: 0.8257 (tp) cc_final: 0.7906 (tp) REVERT: f 49 ARG cc_start: 0.7289 (tpp80) cc_final: 0.6787 (tpp80) REVERT: f 119 ARG cc_start: 0.8059 (ptp-170) cc_final: 0.7615 (ptt-90) REVERT: f 135 LYS cc_start: 0.8335 (mmpt) cc_final: 0.8014 (mmmt) REVERT: f 136 LYS cc_start: 0.8984 (ptmm) cc_final: 0.8417 (ptmm) REVERT: f 149 ASN cc_start: 0.8945 (t0) cc_final: 0.8632 (t0) REVERT: f 172 GLU cc_start: 0.7957 (pm20) cc_final: 0.7220 (pm20) REVERT: g 11 VAL cc_start: 0.9016 (t) cc_final: 0.8538 (p) REVERT: g 64 ASP cc_start: 0.8237 (p0) cc_final: 0.7184 (p0) REVERT: g 138 MET cc_start: 0.5597 (mmm) cc_final: 0.5312 (mmt) REVERT: g 147 LYS cc_start: 0.8156 (ptpp) cc_final: 0.7842 (pttm) REVERT: g 171 MET cc_start: 0.9154 (mmp) cc_final: 0.8447 (mmm) REVERT: h 10 VAL cc_start: 0.9065 (t) cc_final: 0.8865 (t) REVERT: h 17 ASP cc_start: 0.8346 (p0) cc_final: 0.8076 (p0) REVERT: h 43 LEU cc_start: 0.9371 (tp) cc_final: 0.8999 (tp) REVERT: h 153 GLN cc_start: 0.8596 (mp-120) cc_final: 0.8271 (mm-40) REVERT: i 183 GLN cc_start: 0.9251 (pm20) cc_final: 0.8920 (pm20) REVERT: j 138 MET cc_start: 0.6169 (ptp) cc_final: 0.5198 (ptp) REVERT: k 17 ASP cc_start: 0.7410 (t0) cc_final: 0.7179 (t0) REVERT: l 19 VAL cc_start: 0.9160 (p) cc_final: 0.8945 (p) REVERT: l 25 PRO cc_start: 0.6925 (Cg_endo) cc_final: 0.6668 (Cg_exo) REVERT: l 42 GLN cc_start: 0.8775 (mp-120) cc_final: 0.8062 (mp-120) REVERT: l 134 THR cc_start: 0.8885 (p) cc_final: 0.8311 (p) REVERT: l 135 LYS cc_start: 0.8993 (mmpt) cc_final: 0.8023 (mmmt) REVERT: l 136 LYS cc_start: 0.8624 (tmmt) cc_final: 0.8061 (ttpp) REVERT: l 139 LEU cc_start: 0.8288 (mt) cc_final: 0.8066 (mt) REVERT: l 171 MET cc_start: 0.9024 (mmp) cc_final: 0.8768 (mmm) REVERT: l 172 GLU cc_start: 0.6464 (pm20) cc_final: 0.6023 (pm20) REVERT: l 173 ASN cc_start: 0.7344 (m-40) cc_final: 0.6902 (m-40) REVERT: m 11 VAL cc_start: 0.9103 (t) cc_final: 0.8828 (p) REVERT: m 38 GLU cc_start: 0.7866 (pt0) cc_final: 0.7605 (pt0) REVERT: m 138 MET cc_start: 0.5444 (mmt) cc_final: 0.5163 (mmm) REVERT: m 171 MET cc_start: 0.8989 (mmp) cc_final: 0.7990 (mmp) REVERT: m 177 ASP cc_start: 0.7933 (t70) cc_final: 0.7573 (t70) REVERT: n 16 ASN cc_start: 0.8199 (m-40) cc_final: 0.7856 (t0) REVERT: n 155 THR cc_start: 0.8841 (p) cc_final: 0.8630 (p) REVERT: n 171 MET cc_start: 0.7391 (mmm) cc_final: 0.6423 (ttt) REVERT: o 106 THR cc_start: 0.9032 (p) cc_final: 0.8722 (p) REVERT: o 149 ASN cc_start: 0.7598 (m110) cc_final: 0.7330 (m110) REVERT: o 171 MET cc_start: 0.8404 (mmp) cc_final: 0.7984 (mmm) REVERT: o 214 LYS cc_start: 0.7869 (pptt) cc_final: 0.7644 (ttmm) REVERT: r 3 LEU cc_start: 0.7851 (pp) cc_final: 0.7647 (pt) REVERT: r 28 VAL cc_start: 0.9029 (m) cc_final: 0.8758 (m) REVERT: r 34 ILE cc_start: 0.8647 (pt) cc_final: 0.8147 (pt) REVERT: r 35 ASP cc_start: 0.5752 (t0) cc_final: 0.5082 (t0) REVERT: r 38 GLU cc_start: 0.7717 (pm20) cc_final: 0.7369 (pm20) REVERT: r 42 GLN cc_start: 0.8608 (mp-120) cc_final: 0.8178 (mp-120) REVERT: r 114 MET cc_start: 0.6416 (ptp) cc_final: 0.6121 (ptt) REVERT: r 119 ARG cc_start: 0.7911 (ptp-170) cc_final: 0.7618 (ptt-90) REVERT: r 136 LYS cc_start: 0.9095 (tmmt) cc_final: 0.8433 (tmtt) REVERT: s 33 VAL cc_start: 0.8314 (t) cc_final: 0.7692 (t) REVERT: s 34 ILE cc_start: 0.8694 (mt) cc_final: 0.7917 (mt) REVERT: s 138 MET cc_start: 0.4839 (mmm) cc_final: 0.4296 (mmm) REVERT: s 171 MET cc_start: 0.9372 (mmp) cc_final: 0.9033 (mmp) REVERT: s 188 LEU cc_start: 0.8764 (mt) cc_final: 0.8491 (mt) REVERT: t 34 ILE cc_start: 0.8774 (pt) cc_final: 0.7919 (pt) REVERT: t 44 ARG cc_start: 0.7722 (mtp-110) cc_final: 0.7514 (mtp-110) REVERT: t 149 ASN cc_start: 0.8354 (m-40) cc_final: 0.7874 (m-40) REVERT: t 153 GLN cc_start: 0.8358 (mp10) cc_final: 0.7948 (mp10) REVERT: t 171 MET cc_start: 0.8136 (mmm) cc_final: 0.7376 (mmm) REVERT: u 115 SER cc_start: 0.8554 (m) cc_final: 0.8235 (p) REVERT: u 149 ASN cc_start: 0.7535 (m110) cc_final: 0.7180 (m110) REVERT: w 35 ASP cc_start: 0.8624 (m-30) cc_final: 0.8276 (m-30) REVERT: w 43 LEU cc_start: 0.8164 (tp) cc_final: 0.7958 (tp) REVERT: x 19 VAL cc_start: 0.9275 (p) cc_final: 0.9051 (p) REVERT: x 33 VAL cc_start: 0.9207 (t) cc_final: 0.8973 (t) REVERT: x 42 GLN cc_start: 0.8945 (mp10) cc_final: 0.8628 (mp10) REVERT: x 49 ARG cc_start: 0.7210 (tpp-160) cc_final: 0.6573 (tpp80) REVERT: x 134 THR cc_start: 0.8893 (p) cc_final: 0.8644 (p) REVERT: x 136 LYS cc_start: 0.9221 (tmmt) cc_final: 0.8479 (tmtt) REVERT: x 147 LYS cc_start: 0.8725 (pttp) cc_final: 0.8154 (pttm) REVERT: x 169 GLU cc_start: 0.7493 (mp0) cc_final: 0.7184 (mp0) REVERT: x 171 MET cc_start: 0.9181 (mmp) cc_final: 0.8831 (mmp) REVERT: y 29 LEU cc_start: 0.7770 (tt) cc_final: 0.7219 (tp) REVERT: y 33 VAL cc_start: 0.8455 (t) cc_final: 0.7666 (t) REVERT: y 147 LYS cc_start: 0.8427 (ptpp) cc_final: 0.8171 (pttm) REVERT: y 171 MET cc_start: 0.9127 (mmp) cc_final: 0.8402 (mmp) REVERT: y 178 MET cc_start: 0.8151 (mmp) cc_final: 0.7941 (mmp) REVERT: z 18 LEU cc_start: 0.8808 (mm) cc_final: 0.8585 (mm) REVERT: z 45 GLN cc_start: 0.7823 (tm-30) cc_final: 0.6054 (tm-30) REVERT: z 136 LYS cc_start: 0.8979 (ttmm) cc_final: 0.8610 (ttmm) REVERT: z 171 MET cc_start: 0.6490 (tpt) cc_final: 0.5597 (tpt) REVERT: AA 35 ASP cc_start: 0.7969 (m-30) cc_final: 0.7705 (m-30) REVERT: AA 171 MET cc_start: 0.7741 (mmp) cc_final: 0.7512 (mmp) REVERT: AB 104 TYR cc_start: 0.6390 (m-10) cc_final: 0.6154 (m-10) REVERT: AB 129 ILE cc_start: 0.7894 (mp) cc_final: 0.7657 (mp) REVERT: AD 3 LEU cc_start: 0.8130 (pp) cc_final: 0.7910 (pt) REVERT: AD 33 VAL cc_start: 0.9084 (t) cc_final: 0.8759 (t) REVERT: AD 34 ILE cc_start: 0.9424 (pt) cc_final: 0.9065 (pt) REVERT: AD 42 GLN cc_start: 0.9069 (mp-120) cc_final: 0.8424 (mp-120) REVERT: AD 133 LYS cc_start: 0.8355 (ttmm) cc_final: 0.8015 (ttmm) REVERT: AD 135 LYS cc_start: 0.9047 (mmpt) cc_final: 0.8586 (mmmt) REVERT: AD 136 LYS cc_start: 0.8694 (tmmt) cc_final: 0.8091 (ttpp) REVERT: AE 138 MET cc_start: 0.5967 (mmt) cc_final: 0.5515 (mmt) REVERT: AE 147 LYS cc_start: 0.8322 (ptpp) cc_final: 0.7961 (pttm) REVERT: AE 171 MET cc_start: 0.8719 (mmp) cc_final: 0.8328 (mmp) REVERT: AE 172 GLU cc_start: 0.8173 (pm20) cc_final: 0.6771 (pm20) REVERT: AF 10 VAL cc_start: 0.9140 (t) cc_final: 0.8789 (t) REVERT: AF 17 ASP cc_start: 0.7566 (m-30) cc_final: 0.7338 (m-30) REVERT: AF 34 ILE cc_start: 0.9102 (mt) cc_final: 0.8800 (mt) REVERT: AF 171 MET cc_start: 0.7411 (mmm) cc_final: 0.6938 (tpt) REVERT: AF 173 ASN cc_start: 0.7815 (m-40) cc_final: 0.7448 (m-40) REVERT: AG 57 THR cc_start: 0.8927 (p) cc_final: 0.8700 (p) REVERT: AG 133 LYS cc_start: 0.7809 (mmmt) cc_final: 0.7546 (mmmt) REVERT: AH 129 ILE cc_start: 0.7657 (mp) cc_final: 0.6982 (mp) REVERT: AJ 19 VAL cc_start: 0.9394 (p) cc_final: 0.9095 (p) REVERT: AJ 25 PRO cc_start: 0.7649 (Cg_exo) cc_final: 0.7078 (Cg_endo) REVERT: AJ 33 VAL cc_start: 0.8804 (t) cc_final: 0.8572 (t) REVERT: AJ 49 ARG cc_start: 0.7248 (tpp80) cc_final: 0.6829 (tpp80) REVERT: AJ 114 MET cc_start: 0.5534 (ptp) cc_final: 0.5058 (ptp) REVERT: AJ 133 LYS cc_start: 0.8348 (ttmm) cc_final: 0.7556 (ttmm) REVERT: AJ 135 LYS cc_start: 0.8842 (mmpt) cc_final: 0.7989 (mmmt) REVERT: AJ 136 LYS cc_start: 0.8616 (tmmt) cc_final: 0.7660 (tmmt) REVERT: AK 11 VAL cc_start: 0.8778 (t) cc_final: 0.8426 (p) REVERT: AK 64 ASP cc_start: 0.8543 (p0) cc_final: 0.8263 (p0) REVERT: AK 171 MET cc_start: 0.9261 (mmp) cc_final: 0.8615 (mmp) REVERT: AK 177 ASP cc_start: 0.7624 (t70) cc_final: 0.6967 (t70) REVERT: AL 26 GLU cc_start: 0.4033 (mm-30) cc_final: 0.3099 (mm-30) REVERT: AL 37 GLN cc_start: 0.8825 (pt0) cc_final: 0.8316 (pt0) REVERT: AL 55 LYS cc_start: 0.9037 (mtmt) cc_final: 0.8123 (mtmt) REVERT: AM 35 ASP cc_start: 0.7699 (m-30) cc_final: 0.7372 (m-30) REVERT: AM 53 GLU cc_start: 0.8239 (tp30) cc_final: 0.7669 (tp30) REVERT: AO 34 ILE cc_start: 0.8945 (pt) cc_final: 0.8615 (pt) REVERT: AO 114 MET cc_start: 0.6754 (ttt) cc_final: 0.6447 (ttt) REVERT: AO 172 GLU cc_start: 0.7162 (pt0) cc_final: 0.6859 (pt0) REVERT: AP 19 VAL cc_start: 0.9270 (p) cc_final: 0.9048 (p) REVERT: AP 29 LEU cc_start: 0.8414 (tp) cc_final: 0.8059 (tp) REVERT: AP 36 MET cc_start: 0.7906 (ptp) cc_final: 0.7568 (ptp) REVERT: AP 42 GLN cc_start: 0.8615 (mp10) cc_final: 0.7631 (mp10) REVERT: AP 133 LYS cc_start: 0.8105 (tttm) cc_final: 0.7249 (tttm) REVERT: AP 135 LYS cc_start: 0.8938 (mmpt) cc_final: 0.8140 (mmmt) REVERT: AP 136 LYS cc_start: 0.8729 (tmmt) cc_final: 0.7302 (tmmt) REVERT: AP 137 ASN cc_start: 0.7642 (m-40) cc_final: 0.6876 (m110) REVERT: AP 138 MET cc_start: 0.7735 (ppp) cc_final: 0.6854 (ppp) REVERT: AP 169 GLU cc_start: 0.7575 (mp0) cc_final: 0.7360 (mp0) REVERT: AP 171 MET cc_start: 0.8575 (mmp) cc_final: 0.8307 (mmm) REVERT: AQ 11 VAL cc_start: 0.9224 (t) cc_final: 0.8891 (p) REVERT: AQ 34 ILE cc_start: 0.8791 (mt) cc_final: 0.8049 (mt) REVERT: AQ 138 MET cc_start: 0.5892 (mmt) cc_final: 0.5343 (tpt) REVERT: AQ 171 MET cc_start: 0.9378 (mmp) cc_final: 0.8544 (mmp) REVERT: AQ 172 GLU cc_start: 0.8402 (pm20) cc_final: 0.8136 (pm20) REVERT: AQ 188 LEU cc_start: 0.8878 (mt) cc_final: 0.8507 (mt) REVERT: AR 26 GLU cc_start: 0.4454 (mm-30) cc_final: 0.3993 (mm-30) REVERT: AR 43 LEU cc_start: 0.8887 (tp) cc_final: 0.8579 (tp) REVERT: AR 120 ARG cc_start: 0.7721 (ptp-110) cc_final: 0.7055 (mtm-85) REVERT: AR 144 LYS cc_start: 0.8700 (mmtm) cc_final: 0.8465 (mmtm) REVERT: AR 171 MET cc_start: 0.7313 (mmm) cc_final: 0.6611 (ttm) REVERT: AR 173 ASN cc_start: 0.7284 (m-40) cc_final: 0.6927 (m-40) REVERT: AS 19 VAL cc_start: 0.8823 (t) cc_final: 0.8508 (t) REVERT: AS 24 ASP cc_start: 0.7573 (p0) cc_final: 0.7280 (p0) REVERT: AS 34 ILE cc_start: 0.8865 (mm) cc_final: 0.8552 (mm) REVERT: AS 35 ASP cc_start: 0.7836 (m-30) cc_final: 0.7431 (m-30) REVERT: AS 43 LEU cc_start: 0.8836 (mt) cc_final: 0.8612 (mt) REVERT: AS 106 THR cc_start: 0.8819 (p) cc_final: 0.8586 (p) REVERT: AS 214 LYS cc_start: 0.7915 (pptt) cc_final: 0.7535 (ttpp) REVERT: AT 36 MET cc_start: 0.6042 (ppp) cc_final: 0.5813 (ppp) REVERT: AT 45 GLN cc_start: 0.8868 (pt0) cc_final: 0.8481 (pt0) REVERT: AU 40 LEU cc_start: 0.6929 (tp) cc_final: 0.6687 (tp) REVERT: AV 19 VAL cc_start: 0.9142 (p) cc_final: 0.8936 (p) REVERT: AV 34 ILE cc_start: 0.9219 (pt) cc_final: 0.8975 (pt) REVERT: AV 36 MET cc_start: 0.7918 (ptp) cc_final: 0.7545 (ptp) REVERT: AV 42 GLN cc_start: 0.8728 (mp-120) cc_final: 0.8073 (mp10) REVERT: AV 49 ARG cc_start: 0.7324 (tpp80) cc_final: 0.6865 (tpp80) REVERT: AV 62 ASN cc_start: 0.8718 (m110) cc_final: 0.8405 (p0) REVERT: AV 136 LYS cc_start: 0.9016 (tmmt) cc_final: 0.8675 (ttpp) REVERT: AV 152 LEU cc_start: 0.8641 (mt) cc_final: 0.8370 (mt) REVERT: AV 171 MET cc_start: 0.8538 (mmp) cc_final: 0.8239 (mmm) REVERT: AV 173 ASN cc_start: 0.7893 (m110) cc_final: 0.7305 (m110) outliers start: 4 outliers final: 0 residues processed: 4806 average time/residue: 1.1666 time to fit residues: 9613.7317 Evaluate side-chains 3689 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3689 time to evaluate : 11.559 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1764 random chunks: chunk 1040 optimal weight: 0.9990 chunk 1675 optimal weight: 8.9990 chunk 1022 optimal weight: 2.9990 chunk 794 optimal weight: 2.9990 chunk 1164 optimal weight: 0.7980 chunk 1757 optimal weight: 0.7980 chunk 1617 optimal weight: 0.9990 chunk 1399 optimal weight: 9.9990 chunk 145 optimal weight: 5.9990 chunk 1080 optimal weight: 5.9990 chunk 858 optimal weight: 0.6980 overall best weight: 0.8584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** C 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 117 ASN ** C 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 149 ASN ** C 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 16 ASN ** A 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 154 GLN ** B 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 117 ASN ** H 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 154 GLN ** L 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 154 GLN ** M 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 149 ASN ** N 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 117 ASN ** P 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 16 ASN ** Q 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 154 GLN R 31 GLN R 117 ASN R 154 GLN ** R 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 117 ASN ** W 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 117 ASN ** X 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 37 GLN ** Z 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 117 ASN ** 2 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 121 ASN 2 154 GLN ** 2 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 121 ASN 8 154 GLN ** 9 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 149 ASN ** b 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 117 ASN d 137 ASN ** e 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 117 ASN ** h 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 117 ASN ** k 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 154 GLN ** l 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 137 ASN ** l 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 117 ASN ** n 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 121 ASN q 154 GLN ** r 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 154 GLN ** s 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 149 ASN ** t 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 42 GLN ** w 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 117 ASN ** w 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 154 GLN ** w 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 117 ASN x 154 GLN ** x 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 137 ASN ** z 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 173 ASN ** z 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AA 111 GLN ** AA 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 16 ASN AC 117 ASN ** AC 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 117 ASN ** AD 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 154 GLN ** AI 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AL 173 ASN ** AL 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AN 121 ASN ** AO 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 154 GLN ** AP 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 173 ASN ** AR 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 63 GLN ** AR 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 111 GLN ** AS 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AT 149 ASN ** AU 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AU 154 GLN ** AU 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 54 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6533 moved from start: 1.0898 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.099 139006 Z= 0.245 Angle : 0.858 14.553 186606 Z= 0.477 Chirality : 0.044 0.332 21644 Planarity : 0.004 0.224 24962 Dihedral : 7.045 172.655 19390 Min Nonbonded Distance : 1.981 Molprobity Statistics. All-atom Clashscore : 23.68 Ramachandran Plot: Outliers : 0.11 % Allowed : 1.58 % Favored : 98.31 % Rotamer: Outliers : 0.03 % Allowed : 0.76 % Favored : 99.21 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.90 (0.06), residues: 17808 helix: 1.53 (0.04), residues: 16548 sheet: None (None), residues: 0 loop : -1.99 (0.14), residues: 1260 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.020 0.001 TRP 9 71 PHE 0.037 0.001 PHEAG 197 TYR 0.051 0.003 TYR j 104 ARG 0.019 0.001 ARG q 120 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 35616 Ramachandran restraints generated. 17808 Oldfield, 0 Emsley, 17808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4804 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 4800 time to evaluate : 11.675 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: 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symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 11 VAL cc_start: 0.9051 (t) cc_final: 0.8583 (p) REVERT: D 28 VAL cc_start: 0.7880 (m) cc_final: 0.7269 (p) REVERT: D 37 GLN cc_start: 0.8863 (pm20) cc_final: 0.8440 (pm20) REVERT: D 138 MET cc_start: 0.5650 (mmt) cc_final: 0.5003 (tpp) REVERT: D 147 LYS cc_start: 0.7978 (ptpp) cc_final: 0.7662 (pttm) REVERT: D 171 MET cc_start: 0.9212 (mmp) cc_final: 0.8770 (mmm) REVERT: C 18 LEU cc_start: 0.8910 (mm) cc_final: 0.8593 (mm) REVERT: C 34 ILE cc_start: 0.8629 (pt) cc_final: 0.7544 (pt) REVERT: C 43 LEU cc_start: 0.9132 (tp) cc_final: 0.8842 (tp) REVERT: C 138 MET cc_start: 0.7666 (mmp) cc_final: 0.7224 (mmp) REVERT: C 139 LEU cc_start: 0.8442 (mt) cc_final: 0.8178 (mt) REVERT: C 153 GLN cc_start: 0.8568 (mp-120) cc_final: 0.8281 (mm-40) REVERT: C 171 MET cc_start: 0.7111 (tpt) cc_final: 0.6642 (tpt) REVERT: E 203 SER cc_start: 0.8646 (m) cc_final: 0.8257 (p) REVERT: A 193 ILE cc_start: 0.8954 (pt) cc_final: 0.8046 (pt) REVERT: B 11 VAL cc_start: 0.9199 (m) cc_final: 0.8977 (m) REVERT: B 19 VAL cc_start: 0.9139 (p) cc_final: 0.8878 (p) REVERT: B 33 VAL cc_start: 0.8927 (t) cc_final: 0.8382 (t) REVERT: B 49 ARG cc_start: 0.7520 (tpp80) cc_final: 0.7222 (tpp80) REVERT: B 114 MET cc_start: 0.6198 (ptp) cc_final: 0.5908 (ptp) REVERT: B 133 LYS cc_start: 0.8204 (ttmm) cc_final: 0.7952 (ttmm) REVERT: B 135 LYS cc_start: 0.8733 (mmpt) cc_final: 0.8099 (mmmt) REVERT: B 136 LYS cc_start: 0.8748 (tmmt) cc_final: 0.7899 (tmtt) REVERT: B 152 LEU cc_start: 0.8738 (mt) cc_final: 0.8461 (mt) REVERT: G 11 VAL cc_start: 0.9011 (t) cc_final: 0.8728 (p) REVERT: G 37 GLN cc_start: 0.8850 (pm20) cc_final: 0.8506 (pm20) REVERT: G 171 MET cc_start: 0.8988 (mmp) cc_final: 0.7900 (mmp) REVERT: H 16 ASN cc_start: 0.7980 (m-40) cc_final: 0.7388 (m110) REVERT: H 26 GLU cc_start: 0.3116 (mm-30) cc_final: 0.2845 (mm-30) REVERT: H 43 LEU cc_start: 0.9124 (tp) cc_final: 0.8756 (tp) REVERT: H 171 MET cc_start: 0.7371 (mmm) cc_final: 0.6908 (tpp) REVERT: I 53 GLU cc_start: 0.7446 (tp30) cc_final: 0.7021 (tp30) REVERT: I 171 MET cc_start: 0.8159 (mmp) cc_final: 0.7498 (mmm) REVERT: I 181 THR cc_start: 0.8035 (t) cc_final: 0.7806 (t) REVERT: I 214 LYS cc_start: 0.8070 (pptt) cc_final: 0.7572 (ttmm) REVERT: K 193 ILE cc_start: 0.9081 (pt) cc_final: 0.8810 (pt) REVERT: L 34 ILE cc_start: 0.9338 (pt) cc_final: 0.8863 (pt) REVERT: L 35 ASP cc_start: 0.7007 (t0) cc_final: 0.6120 (t0) REVERT: L 42 GLN cc_start: 0.8905 (mp-120) cc_final: 0.7942 (mp-120) REVERT: L 70 LYS cc_start: 0.7881 (ptpp) cc_final: 0.7681 (pttm) REVERT: L 114 MET cc_start: 0.6980 (pmm) cc_final: 0.6554 (pmm) REVERT: L 129 ILE cc_start: 0.7913 (mt) cc_final: 0.6952 (mt) REVERT: L 134 THR cc_start: 0.8340 (p) cc_final: 0.7845 (p) REVERT: L 135 LYS cc_start: 0.8833 (mmpt) cc_final: 0.8166 (mmmt) REVERT: L 149 ASN cc_start: 0.9046 (t0) cc_final: 0.8811 (t0) REVERT: L 173 ASN cc_start: 0.7714 (m-40) cc_final: 0.6828 (m-40) REVERT: M 17 ASP cc_start: 0.8422 (p0) cc_final: 0.8129 (p0) REVERT: M 34 ILE cc_start: 0.8465 (mt) cc_final: 0.7538 (mt) REVERT: M 138 MET cc_start: 0.4951 (mmm) cc_final: 0.4484 (mmm) REVERT: M 147 LYS cc_start: 0.8019 (ptpp) cc_final: 0.7683 (pttm) REVERT: M 171 MET cc_start: 0.9042 (mmp) cc_final: 0.7896 (mmp) REVERT: M 174 LYS cc_start: 0.9050 (ptpt) cc_final: 0.8272 (ptpt) REVERT: N 26 GLU cc_start: 0.4722 (mm-30) cc_final: 0.4281 (mm-30) REVERT: N 53 GLU cc_start: 0.9033 (pm20) cc_final: 0.8788 (pm20) REVERT: N 55 LYS cc_start: 0.8952 (mtmt) cc_final: 0.8634 (tptp) REVERT: N 153 GLN cc_start: 0.8563 (mp-120) cc_final: 0.8269 (mm-40) REVERT: N 171 MET cc_start: 0.7982 (mmm) cc_final: 0.7240 (mmm) REVERT: O 115 SER cc_start: 0.8584 (m) cc_final: 0.8286 (p) REVERT: Q 17 ASP cc_start: 0.6028 (t0) cc_final: 0.5717 (t0) REVERT: Q 114 MET cc_start: 0.6752 (ttt) cc_final: 0.6119 (ttt) REVERT: Q 137 ASN cc_start: 0.8164 (p0) cc_final: 0.7712 (p0) REVERT: R 33 VAL cc_start: 0.9299 (t) cc_final: 0.9008 (t) REVERT: R 49 ARG cc_start: 0.7091 (tpp-160) cc_final: 0.6345 (tpp80) REVERT: R 135 LYS cc_start: 0.8608 (mmpt) cc_final: 0.7869 (mmmt) REVERT: R 136 LYS cc_start: 0.8994 (tmmt) cc_final: 0.8072 (tmtt) REVERT: R 138 MET cc_start: 0.7321 (ppp) cc_final: 0.6784 (ppp) REVERT: R 139 LEU cc_start: 0.8557 (mt) cc_final: 0.7798 (mt) REVERT: R 149 ASN cc_start: 0.8928 (t0) cc_final: 0.7850 (t0) REVERT: S 33 VAL cc_start: 0.8332 (t) cc_final: 0.7692 (t) REVERT: S 34 ILE cc_start: 0.8984 (mt) cc_final: 0.8757 (mt) REVERT: S 138 MET cc_start: 0.5679 (tpt) cc_final: 0.5121 (tpt) REVERT: S 147 LYS cc_start: 0.8451 (ptpp) cc_final: 0.7975 (pttm) REVERT: S 171 MET cc_start: 0.9000 (mmp) cc_final: 0.8147 (mmp) REVERT: S 177 ASP cc_start: 0.7234 (t70) cc_final: 0.6947 (t70) REVERT: S 178 MET cc_start: 0.8119 (mmp) cc_final: 0.7904 (mmp) REVERT: T 43 LEU cc_start: 0.9133 (tp) cc_final: 0.8866 (tp) REVERT: T 139 LEU cc_start: 0.8733 (mt) cc_final: 0.8531 (mt) REVERT: T 171 MET cc_start: 0.6533 (tpt) cc_final: 0.5932 (tpt) REVERT: U 64 ASP cc_start: 0.7078 (t0) cc_final: 0.6699 (t0) REVERT: U 152 LEU cc_start: 0.7608 (mt) cc_final: 0.7402 (mt) REVERT: W 114 MET cc_start: 0.7630 (ttt) cc_final: 0.7374 (ttt) REVERT: W 117 ASN cc_start: 0.5611 (m-40) cc_final: 0.4896 (m110) REVERT: X 42 GLN cc_start: 0.9070 (mp-120) cc_final: 0.8331 (mp-120) REVERT: X 135 LYS cc_start: 0.8928 (mmpt) cc_final: 0.8518 (mmmt) REVERT: X 136 LYS cc_start: 0.8492 (tmmt) cc_final: 0.8261 (ttpp) REVERT: Y 14 ASN cc_start: 0.9045 (p0) cc_final: 0.8843 (p0) REVERT: Y 17 ASP cc_start: 0.8521 (p0) cc_final: 0.7917 (p0) REVERT: Y 138 MET cc_start: 0.5941 (mmt) cc_final: 0.5258 (mmt) REVERT: Y 147 LYS cc_start: 0.8146 (ptpp) cc_final: 0.7860 (pttm) REVERT: Y 168 PHE cc_start: 0.7740 (t80) cc_final: 0.7405 (t80) REVERT: Y 171 MET cc_start: 0.9012 (mmp) cc_final: 0.8355 (mmp) REVERT: Y 172 GLU cc_start: 0.8066 (pm20) cc_final: 0.6768 (pm20) REVERT: Y 174 LYS cc_start: 0.8693 (ptpt) cc_final: 0.8293 (pttm) REVERT: Z 34 ILE cc_start: 0.8808 (pt) cc_final: 0.8309 (pt) REVERT: Z 58 GLU cc_start: 0.7872 (pm20) cc_final: 0.7519 (pm20) REVERT: Z 171 MET cc_start: 0.6753 (tpt) cc_final: 0.6036 (tpt) REVERT: Z 173 ASN cc_start: 0.7156 (m-40) cc_final: 0.6782 (m-40) REVERT: 0 64 ASP cc_start: 0.7228 (t0) cc_final: 0.6837 (t0) REVERT: 0 133 LYS cc_start: 0.7929 (mmmt) cc_final: 0.7699 (mmmt) REVERT: 0 171 MET cc_start: 0.8216 (mmp) cc_final: 0.8016 (mmm) REVERT: 1 36 MET cc_start: 0.7210 (ptm) cc_final: 0.6862 (ptm) REVERT: 1 171 MET cc_start: 0.7857 (pmm) cc_final: 0.7229 (pmm) REVERT: 2 137 ASN cc_start: 0.8461 (p0) cc_final: 0.8173 (p0) REVERT: 3 11 VAL cc_start: 0.9110 (m) cc_final: 0.8903 (m) REVERT: 3 29 LEU cc_start: 0.8524 (tp) cc_final: 0.8023 (tp) REVERT: 3 40 LEU cc_start: 0.7993 (mt) cc_final: 0.7577 (mt) REVERT: 3 135 LYS cc_start: 0.8791 (mmpt) cc_final: 0.7965 (mmmt) REVERT: 3 136 LYS cc_start: 0.9168 (tmmt) cc_final: 0.7742 (tmtt) REVERT: 3 139 LEU cc_start: 0.8806 (mt) cc_final: 0.8061 (mt) REVERT: 4 171 MET cc_start: 0.9275 (mmp) cc_final: 0.8925 (mmp) REVERT: 4 177 ASP cc_start: 0.7530 (t70) cc_final: 0.7204 (t70) REVERT: 5 133 LYS cc_start: 0.7960 (ttmm) cc_final: 0.7749 (ttmm) REVERT: 5 153 GLN cc_start: 0.8283 (mp-120) cc_final: 0.8065 (mm-40) REVERT: 5 171 MET cc_start: 0.7328 (mmm) cc_final: 0.6710 (mmm) REVERT: 6 53 GLU cc_start: 0.7862 (tp30) cc_final: 0.7437 (tp30) REVERT: 6 56 ARG cc_start: 0.7369 (mmm-85) cc_final: 0.6947 (mmm-85) REVERT: 6 64 ASP cc_start: 0.7958 (t0) cc_final: 0.7488 (t0) REVERT: 6 106 THR cc_start: 0.8751 (p) cc_final: 0.8516 (p) REVERT: 6 214 LYS cc_start: 0.8143 (pptt) cc_final: 0.7637 (ttmm) REVERT: 7 122 LEU cc_start: 0.7735 (tp) cc_final: 0.7479 (tp) REVERT: 8 41 VAL cc_start: 0.9021 (t) cc_final: 0.7623 (t) REVERT: 8 137 ASN cc_start: 0.8680 (p0) cc_final: 0.8475 (p0) REVERT: 8 172 GLU cc_start: 0.7452 (pt0) cc_final: 0.6702 (pt0) REVERT: 9 29 LEU cc_start: 0.8607 (tp) cc_final: 0.8259 (tp) REVERT: 9 33 VAL cc_start: 0.8881 (t) cc_final: 0.8350 (t) REVERT: 9 36 MET cc_start: 0.8010 (ptp) cc_final: 0.7549 (ptp) REVERT: 9 42 GLN cc_start: 0.8286 (mp10) cc_final: 0.7699 (mp10) REVERT: 9 133 LYS cc_start: 0.8053 (tttm) cc_final: 0.7666 (tttm) REVERT: 9 135 LYS cc_start: 0.8940 (mmpt) cc_final: 0.8276 (mmmt) REVERT: 9 136 LYS cc_start: 0.8629 (tmmt) cc_final: 0.7308 (ttpp) REVERT: 9 138 MET cc_start: 0.7364 (ppp) cc_final: 0.6959 (ppp) REVERT: a 10 VAL cc_start: 0.8979 (t) cc_final: 0.8689 (t) REVERT: a 11 VAL cc_start: 0.9108 (t) cc_final: 0.8754 (p) REVERT: a 17 ASP cc_start: 0.7885 (p0) cc_final: 0.7369 (p0) REVERT: a 147 LYS cc_start: 0.8097 (ptpp) cc_final: 0.7790 (pttm) REVERT: a 171 MET cc_start: 0.9189 (mmp) cc_final: 0.8353 (mmp) REVERT: b 33 VAL cc_start: 0.8754 (t) cc_final: 0.7943 (t) REVERT: b 34 ILE cc_start: 0.8744 (pt) cc_final: 0.7877 (pt) REVERT: b 136 LYS cc_start: 0.7936 (ttmm) cc_final: 0.7511 (ttmt) REVERT: b 173 ASN cc_start: 0.7320 (m110) cc_final: 0.6983 (m110) REVERT: c 19 VAL cc_start: 0.8932 (t) cc_final: 0.8592 (t) REVERT: c 43 LEU cc_start: 0.8778 (mt) cc_final: 0.8522 (mt) REVERT: c 64 ASP cc_start: 0.7267 (t0) cc_final: 0.6891 (t0) REVERT: c 214 LYS cc_start: 0.8032 (pptt) cc_final: 0.7596 (ttpt) REVERT: d 196 GLN cc_start: 0.6516 (tp40) cc_final: 0.6278 (tp40) REVERT: e 17 ASP cc_start: 0.7017 (t70) cc_final: 0.6060 (t0) REVERT: e 34 ILE cc_start: 0.9063 (mt) cc_final: 0.8691 (mt) REVERT: e 193 ILE cc_start: 0.9015 (pt) cc_final: 0.8734 (pt) REVERT: f 49 ARG cc_start: 0.7330 (tpp80) cc_final: 0.6886 (tpp80) REVERT: f 114 MET cc_start: 0.5731 (ptp) cc_final: 0.5202 (ptp) REVERT: f 119 ARG cc_start: 0.7823 (ptp-170) cc_final: 0.7521 (ptt-90) REVERT: f 134 THR cc_start: 0.8270 (p) cc_final: 0.7626 (p) REVERT: f 135 LYS cc_start: 0.8343 (mmpt) cc_final: 0.7860 (mmmt) REVERT: f 149 ASN cc_start: 0.8997 (t0) cc_final: 0.8567 (t0) REVERT: f 172 GLU cc_start: 0.7984 (pm20) cc_final: 0.7276 (pm20) REVERT: g 11 VAL cc_start: 0.9025 (t) cc_final: 0.8638 (p) REVERT: g 38 GLU cc_start: 0.6524 (pt0) cc_final: 0.6197 (pt0) REVERT: g 138 MET cc_start: 0.5718 (mmm) cc_final: 0.5443 (mmt) REVERT: g 147 LYS cc_start: 0.8099 (ptpp) cc_final: 0.7778 (pttm) REVERT: g 171 MET cc_start: 0.9172 (mmp) cc_final: 0.8891 (mmp) REVERT: h 26 GLU cc_start: 0.4892 (mm-30) cc_final: 0.4545 (mm-30) REVERT: h 43 LEU cc_start: 0.9342 (tp) cc_final: 0.8978 (tp) REVERT: h 153 GLN cc_start: 0.8621 (mp-120) cc_final: 0.8201 (mm-40) REVERT: i 171 MET cc_start: 0.7700 (mmp) cc_final: 0.7426 (mmp) REVERT: i 183 GLN cc_start: 0.9202 (pm20) cc_final: 0.8908 (pm20) REVERT: j 62 ASN cc_start: 0.8631 (m110) cc_final: 0.8237 (m110) REVERT: j 129 ILE cc_start: 0.8084 (mp) cc_final: 0.7223 (mm) REVERT: j 138 MET cc_start: 0.4133 (ptp) cc_final: 0.3485 (ptp) REVERT: k 15 LEU cc_start: 0.8840 (mm) cc_final: 0.8302 (mt) REVERT: k 41 VAL cc_start: 0.8867 (t) cc_final: 0.7360 (t) REVERT: k 135 LYS cc_start: 0.9153 (mmtm) cc_final: 0.8912 (mmmt) REVERT: l 42 GLN cc_start: 0.8964 (mp-120) cc_final: 0.8614 (mp-120) REVERT: l 134 THR cc_start: 0.8508 (p) cc_final: 0.7544 (p) REVERT: l 135 LYS cc_start: 0.8695 (mmpt) cc_final: 0.7675 (mmmt) REVERT: l 139 LEU cc_start: 0.8427 (mt) cc_final: 0.8120 (mt) REVERT: l 147 LYS cc_start: 0.9139 (pttp) cc_final: 0.8933 (pttp) REVERT: m 11 VAL cc_start: 0.9022 (t) cc_final: 0.8763 (p) REVERT: m 34 ILE cc_start: 0.8894 (mt) cc_final: 0.8653 (mm) REVERT: m 35 ASP cc_start: 0.7728 (m-30) cc_final: 0.7493 (m-30) REVERT: m 37 GLN cc_start: 0.8867 (pm20) cc_final: 0.8300 (pm20) REVERT: m 138 MET cc_start: 0.5168 (mmt) cc_final: 0.4952 (mmt) REVERT: m 147 LYS cc_start: 0.7763 (ptpp) cc_final: 0.7398 (pttm) REVERT: m 155 THR cc_start: 0.8337 (p) cc_final: 0.8108 (p) REVERT: m 171 MET cc_start: 0.9182 (mmp) cc_final: 0.7935 (mmp) REVERT: m 177 ASP cc_start: 0.7959 (t70) cc_final: 0.7717 (t70) REVERT: n 34 ILE cc_start: 0.8253 (pt) cc_final: 0.7826 (pt) REVERT: n 43 LEU cc_start: 0.9156 (tp) cc_final: 0.8830 (tp) REVERT: n 171 MET cc_start: 0.6980 (mmm) cc_final: 0.6613 (tpp) REVERT: o 53 GLU cc_start: 0.7690 (tp30) cc_final: 0.7290 (tp30) REVERT: o 149 ASN cc_start: 0.7966 (m110) cc_final: 0.7533 (m110) REVERT: o 171 MET cc_start: 0.8359 (mmp) cc_final: 0.7952 (mmm) REVERT: o 181 THR cc_start: 0.7681 (t) cc_final: 0.7285 (t) REVERT: o 214 LYS cc_start: 0.7829 (pptt) cc_final: 0.7614 (ttmm) REVERT: p 64 ASP cc_start: 0.7636 (t70) cc_final: 0.7384 (t0) REVERT: q 114 MET cc_start: 0.7458 (ttm) cc_final: 0.6558 (ttt) REVERT: q 137 ASN cc_start: 0.7970 (p0) cc_final: 0.7638 (p0) REVERT: r 3 LEU cc_start: 0.7988 (pp) cc_final: 0.7770 (pt) REVERT: r 28 VAL cc_start: 0.8970 (m) cc_final: 0.8695 (m) REVERT: r 34 ILE cc_start: 0.8690 (pt) cc_final: 0.8396 (pt) REVERT: r 35 ASP cc_start: 0.5696 (t0) cc_final: 0.4610 (t0) REVERT: r 42 GLN cc_start: 0.8842 (mp-120) cc_final: 0.8246 (mp-120) REVERT: r 119 ARG cc_start: 0.7767 (ptp-170) cc_final: 0.7528 (ptt-90) REVERT: r 135 LYS cc_start: 0.8851 (mmpt) cc_final: 0.8287 (mmmt) REVERT: r 136 LYS cc_start: 0.9033 (tmmt) cc_final: 0.8514 (ttpp) REVERT: r 137 ASN cc_start: 0.7897 (m110) cc_final: 0.7056 (m110) REVERT: s 34 ILE cc_start: 0.8551 (mt) cc_final: 0.7552 (mt) REVERT: s 138 MET cc_start: 0.4729 (mmm) cc_final: 0.4304 (mmm) REVERT: s 171 MET cc_start: 0.9340 (mmp) cc_final: 0.8943 (mmp) REVERT: s 188 LEU cc_start: 0.8728 (mt) cc_final: 0.8330 (mt) REVERT: t 34 ILE cc_start: 0.8637 (pt) cc_final: 0.7696 (pt) REVERT: t 138 MET cc_start: 0.6877 (mmm) cc_final: 0.6636 (mmm) REVERT: t 171 MET cc_start: 0.8011 (mmm) cc_final: 0.7251 (mmm) REVERT: u 57 THR cc_start: 0.8921 (p) cc_final: 0.8472 (p) REVERT: u 115 SER cc_start: 0.8572 (m) cc_final: 0.8260 (p) REVERT: w 35 ASP cc_start: 0.8386 (m-30) cc_final: 0.8107 (m-30) REVERT: w 43 LEU cc_start: 0.8283 (tp) cc_final: 0.8003 (tp) REVERT: w 117 ASN cc_start: 0.6344 (m-40) cc_final: 0.5376 (m110) REVERT: w 137 ASN cc_start: 0.7990 (p0) cc_final: 0.7777 (p0) REVERT: w 193 ILE cc_start: 0.9147 (pt) cc_final: 0.8770 (pt) REVERT: x 33 VAL cc_start: 0.9219 (t) cc_final: 0.8898 (t) REVERT: x 49 ARG cc_start: 0.7156 (tpp-160) cc_final: 0.6480 (tpp80) REVERT: x 117 ASN cc_start: 0.5433 (m-40) cc_final: 0.5188 (m110) REVERT: x 134 THR cc_start: 0.9070 (p) cc_final: 0.8835 (p) REVERT: x 135 LYS cc_start: 0.8757 (mmpt) cc_final: 0.8014 (mmmt) REVERT: x 136 LYS cc_start: 0.9056 (tmmt) cc_final: 0.8304 (tptp) REVERT: x 138 MET cc_start: 0.7423 (ppp) cc_final: 0.6714 (ppp) REVERT: x 139 LEU cc_start: 0.8611 (mt) cc_final: 0.7975 (mt) REVERT: x 147 LYS cc_start: 0.8623 (pttp) cc_final: 0.8409 (pttt) REVERT: x 171 MET cc_start: 0.9206 (mmp) cc_final: 0.8791 (mmp) REVERT: y 33 VAL cc_start: 0.8654 (t) cc_final: 0.7791 (t) REVERT: y 34 ILE cc_start: 0.8958 (mt) cc_final: 0.8720 (mt) REVERT: y 122 LEU cc_start: 0.8661 (tp) cc_final: 0.7712 (tp) REVERT: y 147 LYS cc_start: 0.8542 (ptpp) cc_final: 0.8193 (pttm) REVERT: y 171 MET cc_start: 0.9170 (mmp) cc_final: 0.8272 (mmm) REVERT: y 172 GLU cc_start: 0.7798 (pm20) cc_final: 0.7505 (pm20) REVERT: z 16 ASN cc_start: 0.8322 (p0) cc_final: 0.8081 (p0) REVERT: z 43 LEU cc_start: 0.9137 (tp) cc_final: 0.8904 (tp) REVERT: z 136 LYS cc_start: 0.8958 (ttmm) cc_final: 0.8366 (ttmt) REVERT: z 169 GLU cc_start: 0.7985 (mp0) cc_final: 0.7578 (mp0) REVERT: z 171 MET cc_start: 0.6450 (tpt) cc_final: 0.5348 (tpt) REVERT: z 173 ASN cc_start: 0.7315 (m-40) cc_final: 0.6857 (m-40) REVERT: AA 64 ASP cc_start: 0.6888 (t0) cc_final: 0.6490 (t0) REVERT: AA 171 MET cc_start: 0.7514 (mmp) cc_final: 0.7286 (mmp) REVERT: AC 114 MET cc_start: 0.7646 (ttt) cc_final: 0.7308 (ttt) REVERT: AC 117 ASN cc_start: 0.5708 (m-40) cc_final: 0.4938 (m110) REVERT: AD 42 GLN cc_start: 0.9083 (mp-120) cc_final: 0.8380 (mp-120) REVERT: AD 133 LYS cc_start: 0.8244 (ttmm) cc_final: 0.7511 (ttmm) REVERT: AD 135 LYS cc_start: 0.8982 (mmpt) cc_final: 0.8455 (mmmt) REVERT: AD 136 LYS cc_start: 0.8276 (tmmt) cc_final: 0.7866 (ttpp) REVERT: AE 17 ASP cc_start: 0.8656 (p0) cc_final: 0.8267 (p0) REVERT: AE 122 LEU cc_start: 0.8491 (tp) cc_final: 0.8261 (tp) REVERT: AE 138 MET cc_start: 0.6077 (mmt) cc_final: 0.5542 (mmt) REVERT: AE 147 LYS cc_start: 0.8155 (ptpp) cc_final: 0.7902 (pttm) REVERT: AE 168 PHE cc_start: 0.7510 (t80) cc_final: 0.7158 (t80) REVERT: AE 172 GLU cc_start: 0.8072 (pm20) cc_final: 0.6751 (pm20) REVERT: AF 133 LYS cc_start: 0.7962 (ttmm) cc_final: 0.7589 (ttmm) REVERT: AF 171 MET cc_start: 0.7187 (mmm) cc_final: 0.6653 (tpp) REVERT: AF 173 ASN cc_start: 0.7801 (m-40) cc_final: 0.7540 (m-40) REVERT: AG 64 ASP cc_start: 0.7377 (t0) cc_final: 0.6999 (t0) REVERT: AH 133 LYS cc_start: 0.6213 (mmtt) cc_final: 0.5360 (mmtm) REVERT: AH 138 MET cc_start: 0.3994 (mtm) cc_final: 0.3626 (mtm) REVERT: AI 34 ILE cc_start: 0.8533 (pt) cc_final: 0.8326 (pt) REVERT: AI 35 ASP cc_start: 0.8523 (m-30) cc_final: 0.8319 (m-30) REVERT: AI 114 MET cc_start: 0.6256 (ttt) cc_final: 0.5984 (ttt) REVERT: AI 137 ASN cc_start: 0.8323 (p0) cc_final: 0.7901 (p0) REVERT: AJ 19 VAL cc_start: 0.9318 (p) cc_final: 0.9029 (p) REVERT: AJ 25 PRO cc_start: 0.7707 (Cg_exo) cc_final: 0.6978 (Cg_endo) REVERT: AJ 35 ASP cc_start: 0.8252 (m-30) cc_final: 0.7772 (m-30) REVERT: AJ 135 LYS cc_start: 0.8858 (mmpt) cc_final: 0.8195 (mmmt) REVERT: AJ 136 LYS cc_start: 0.9008 (tmmt) cc_final: 0.8156 (ttpp) REVERT: AK 11 VAL cc_start: 0.8748 (t) cc_final: 0.8453 (p) REVERT: AK 147 LYS cc_start: 0.7763 (ptpp) cc_final: 0.7520 (pttm) REVERT: AK 171 MET cc_start: 0.9101 (mmp) cc_final: 0.8564 (mmm) REVERT: AK 177 ASP cc_start: 0.7398 (t70) cc_final: 0.7055 (t70) REVERT: AL 7 LEU cc_start: 0.8938 (tp) cc_final: 0.8728 (tp) REVERT: AL 16 ASN cc_start: 0.7565 (m-40) cc_final: 0.7317 (m-40) REVERT: AL 26 GLU cc_start: 0.3695 (mm-30) cc_final: 0.3452 (mm-30) REVERT: AL 50 THR cc_start: 0.9287 (p) cc_final: 0.9060 (p) REVERT: AL 55 LYS cc_start: 0.9062 (mtmt) cc_final: 0.8216 (mtmt) REVERT: AL 138 MET cc_start: 0.6256 (mmt) cc_final: 0.5925 (mmm) REVERT: AL 147 LYS cc_start: 0.8448 (ptpp) cc_final: 0.8191 (pttm) REVERT: AL 171 MET cc_start: 0.7680 (mmm) cc_final: 0.7228 (ttt) REVERT: AL 172 GLU cc_start: 0.7842 (pm20) cc_final: 0.7603 (pm20) REVERT: AM 35 ASP cc_start: 0.7569 (m-30) cc_final: 0.7296 (m-30) REVERT: AM 53 GLU cc_start: 0.8143 (tp30) cc_final: 0.7764 (tp30) REVERT: AM 57 THR cc_start: 0.8891 (p) cc_final: 0.7816 (p) REVERT: AM 214 LYS cc_start: 0.8136 (pptt) cc_final: 0.7603 (ttmm) REVERT: AO 34 ILE cc_start: 0.8969 (pt) cc_final: 0.8688 (pt) REVERT: AO 135 LYS cc_start: 0.8102 (mmtm) cc_final: 0.7806 (mmtt) REVERT: AO 137 ASN cc_start: 0.8624 (p0) cc_final: 0.8322 (p0) REVERT: AO 172 GLU cc_start: 0.7471 (pt0) cc_final: 0.6776 (pt0) REVERT: AP 19 VAL cc_start: 0.9279 (p) cc_final: 0.8927 (p) REVERT: AP 33 VAL cc_start: 0.8900 (t) cc_final: 0.8113 (t) REVERT: AP 36 MET cc_start: 0.8138 (ptp) cc_final: 0.7150 (ptp) REVERT: AP 42 GLN cc_start: 0.8633 (mp10) cc_final: 0.7534 (mp10) REVERT: AP 49 ARG cc_start: 0.7706 (mtp-110) cc_final: 0.7085 (tpp80) REVERT: AP 53 GLU cc_start: 0.7730 (mp0) cc_final: 0.7426 (mp0) REVERT: AP 133 LYS cc_start: 0.8149 (tttm) cc_final: 0.7406 (tttm) REVERT: AP 135 LYS cc_start: 0.8969 (mmpt) cc_final: 0.8344 (mmmt) REVERT: AP 136 LYS cc_start: 0.8568 (tmmt) cc_final: 0.6775 (ttpp) REVERT: AP 138 MET cc_start: 0.7489 (ppp) cc_final: 0.6955 (ppp) REVERT: AQ 10 VAL cc_start: 0.9005 (t) cc_final: 0.8627 (t) REVERT: AQ 11 VAL cc_start: 0.8924 (t) cc_final: 0.8675 (p) REVERT: AQ 34 ILE cc_start: 0.8787 (mt) cc_final: 0.7826 (mt) REVERT: AQ 171 MET cc_start: 0.9229 (mmp) cc_final: 0.8361 (mmp) REVERT: AQ 188 LEU cc_start: 0.8843 (mt) cc_final: 0.8582 (mt) REVERT: AR 34 ILE cc_start: 0.8626 (pt) cc_final: 0.8403 (pt) REVERT: AR 134 THR cc_start: 0.9121 (t) cc_final: 0.8887 (t) REVERT: AR 155 THR cc_start: 0.8990 (p) cc_final: 0.8789 (p) REVERT: AR 173 ASN cc_start: 0.7277 (m-40) cc_final: 0.6948 (m-40) REVERT: AS 19 VAL cc_start: 0.8876 (t) cc_final: 0.8542 (t) REVERT: AS 106 THR cc_start: 0.8795 (p) cc_final: 0.8492 (p) REVERT: AS 214 LYS cc_start: 0.8046 (pptt) cc_final: 0.7660 (ttpt) REVERT: AT 45 GLN cc_start: 0.8697 (pt0) cc_final: 0.8401 (pt0) REVERT: AT 196 GLN cc_start: 0.6584 (tp40) cc_final: 0.6378 (tp40) REVERT: AU 138 MET cc_start: 0.7266 (mtp) cc_final: 0.7014 (mtt) REVERT: AU 156 LEU cc_start: 0.7539 (pp) cc_final: 0.7263 (pp) REVERT: AU 193 ILE cc_start: 0.9004 (pt) cc_final: 0.8718 (pt) REVERT: AV 34 ILE cc_start: 0.9196 (pt) cc_final: 0.8948 (pt) REVERT: AV 36 MET cc_start: 0.7868 (ptp) cc_final: 0.7435 (ptp) REVERT: AV 42 GLN cc_start: 0.8737 (mp-120) cc_final: 0.8112 (mp10) REVERT: AV 49 ARG cc_start: 0.7421 (tpp80) cc_final: 0.6995 (tpp80) REVERT: AV 62 ASN cc_start: 0.8767 (m110) cc_final: 0.8381 (p0) REVERT: AV 135 LYS cc_start: 0.8190 (mmmt) cc_final: 0.7944 (tppt) REVERT: AV 136 LYS cc_start: 0.9065 (tmmt) cc_final: 0.8447 (tmtt) REVERT: AV 152 LEU cc_start: 0.8546 (mt) cc_final: 0.8232 (mt) REVERT: AV 172 GLU cc_start: 0.7856 (pm20) cc_final: 0.7244 (pm20) outliers start: 4 outliers final: 0 residues processed: 4804 average time/residue: 1.1815 time to fit residues: 9735.9810 Evaluate side-chains 3716 residues out of total 14028 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3716 time to evaluate : 10.827 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1764 random chunks: chunk 1111 optimal weight: 10.0000 chunk 1490 optimal weight: 20.0000 chunk 428 optimal weight: 9.9990 chunk 1290 optimal weight: 0.8980 chunk 206 optimal weight: 7.9990 chunk 388 optimal weight: 1.9990 chunk 1401 optimal weight: 7.9990 chunk 586 optimal weight: 8.9990 chunk 1439 optimal weight: 0.9990 chunk 177 optimal weight: 0.9990 chunk 258 optimal weight: 1.9990 overall best weight: 1.3788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** D 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 16 ASN ** A 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 154 GLN ** B 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 117 ASN ** H 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 154 GLN ** L 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 154 GLN ** M 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 149 ASN ** N 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 117 ASN ** O 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 16 ASN ** Q 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 154 GLN ** R 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 154 GLN ** R 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 173 ASN ** S 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 154 GLN ** 2 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 149 ASN ** 5 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 154 GLN ** 8 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 137 ASN ** e 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 154 GLN ** l 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 31 GLN ** m 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 117 ASN ** n 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 154 GLN r 154 GLN ** s 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 154 GLN ** x 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 154 GLN ** x 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 45 GLN ** z 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 137 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AA 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AB 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 16 ASN ** AC 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AE 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AF 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AH 149 ASN ** AI 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 154 GLN ** AI 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AN 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 154 GLN ** AP 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AP 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 45 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 63 GLN ** AR 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 196 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 111 GLN ** AS 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AT 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 16 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AU 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 66 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 153 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AV 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 29 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3476 r_free = 0.3476 target = 0.082856 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 34)----------------| | r_work = 0.3094 r_free = 0.3094 target = 0.060472 restraints weight = 573670.690| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 24)----------------| | r_work = 0.3134 r_free = 0.3134 target = 0.062078 restraints weight = 417707.457| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 27)----------------| | r_work = 0.3150 r_free = 0.3150 target = 0.062780 restraints weight = 317555.164| |-----------------------------------------------------------------------------| r_work (final): 0.3108 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8149 moved from start: 1.1108 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.100 139006 Z= 0.251 Angle : 0.865 12.665 186606 Z= 0.483 Chirality : 0.044 0.341 21644 Planarity : 0.005 0.196 24962 Dihedral : 6.986 175.704 19390 Min Nonbonded Distance : 2.000 Molprobity Statistics. All-atom Clashscore : 25.15 Ramachandran Plot: Outliers : 0.09 % Allowed : 1.67 % Favored : 98.24 % Rotamer: Outliers : 0.03 % Allowed : 0.63 % Favored : 99.34 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.85 (0.06), residues: 17808 helix: 1.50 (0.04), residues: 16548 sheet: None (None), residues: 0 loop : -2.02 (0.14), residues: 1260 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.019 0.001 TRP L 71 PHE 0.039 0.002 PHE C 168 TYR 0.030 0.003 TYRAP 104 ARG 0.022 0.001 ARG W 170 =============================================================================== Job complete usr+sys time: 119339.85 seconds wall clock time: 2035 minutes 9.86 seconds (122109.86 seconds total)