Starting phenix.real_space_refine on Sun Mar 24 13:54:25 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7t0x_25584/03_2024/7t0x_25584.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7t0x_25584/03_2024/7t0x_25584.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.4 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7t0x_25584/03_2024/7t0x_25584.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7t0x_25584/03_2024/7t0x_25584.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7t0x_25584/03_2024/7t0x_25584.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7t0x_25584/03_2024/7t0x_25584.pdb" } resolution = 4.4 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 0.002 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 840 5.16 5 C 103320 2.51 5 N 21840 2.21 5 O 21840 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "C PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "ER PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "II PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "ME PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "ON PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UZ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VB PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VF PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VJ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VN PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VR PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "VV PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.42s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 147840 Number of models: 1 Model: "" Number of chains: 840 Chain: "A" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "V" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "W" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "X" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Y" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Z" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "a" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "b" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "c" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "d" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "e" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "f" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "g" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "h" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "i" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "j" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "k" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "l" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "m" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "n" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "o" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "p" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "q" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "r" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "s" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "t" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "u" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "v" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "w" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "x" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "y" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "z" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ED" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ER" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ES" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ET" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ID" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "II" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ME" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ML" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ND" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ON" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ST" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "US" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UX" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VD" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VH" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VL" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VP" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VT" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "VV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Time building chain proxies: 54.47, per 1000 atoms: 0.37 Number of scatterers: 147840 At special positions: 0 Unit cell: (415.8, 415.8, 180.36, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) S 840 16.00 O 21840 8.00 N 21840 7.00 C 103320 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 45.90 Conformation dependent library (CDL) restraints added in 17.7 seconds 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 31920 Finding SS restraints... Secondary structure from input PDB file: 840 helices and 0 sheets defined 86.9% alpha, 0.0% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 8.88 Creating SS restraints... Processing helix chain 'A' and resid 1 through 19 Processing helix chain 'B' and resid 2 through 19 Processing helix chain 'C' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS C 6 " --> pdb=" O GLU C 2 " (cutoff:3.500A) Processing helix chain 'D' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU D 7 " --> pdb=" O PHE D 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS D 17 " --> pdb=" O ASP D 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE D 18 " --> pdb=" O LEU D 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU D 19 " --> pdb=" O LEU D 15 " (cutoff:3.500A) Processing helix chain 'E' and resid 1 through 19 Processing helix chain 'F' and resid 2 through 19 Processing helix chain 'G' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS G 6 " --> pdb=" O GLU G 2 " (cutoff:3.500A) Processing helix chain 'H' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU H 7 " --> pdb=" O PHE H 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS H 17 " --> pdb=" O ASP H 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE H 18 " --> pdb=" O LEU H 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEU H 19 " --> pdb=" O LEU H 15 " (cutoff:3.500A) Processing helix chain 'I' and resid 1 through 19 Processing helix chain 'J' and resid 2 through 19 Processing helix chain 'K' and resid 2 through 19 removed outlier: 3.748A pdb=" N LYS K 6 " --> pdb=" O GLU K 2 " (cutoff:3.500A) Processing helix chain 'L' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU L 7 " --> pdb=" O PHE L 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS L 17 " --> pdb=" O ASP L 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE L 18 " --> pdb=" O LEU L 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEU L 19 " --> pdb=" O LEU L 15 " (cutoff:3.500A) Processing helix chain 'M' and resid 1 through 19 Processing helix chain 'N' and resid 2 through 19 Processing helix chain 'O' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS O 6 " --> pdb=" O GLU O 2 " (cutoff:3.500A) Processing helix chain 'P' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU P 7 " --> pdb=" O PHE P 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS P 17 " --> pdb=" O ASP P 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE P 18 " --> pdb=" O LEU P 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU P 19 " --> pdb=" O LEU P 15 " (cutoff:3.500A) Processing helix chain 'Q' and resid 1 through 19 Processing helix chain 'R' and resid 2 through 19 Processing helix chain 'S' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS S 6 " --> pdb=" O GLU S 2 " (cutoff:3.500A) Processing helix chain 'T' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU T 7 " --> pdb=" O PHE T 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS T 17 " --> pdb=" O ASP T 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE T 18 " --> pdb=" O LEU T 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU T 19 " --> pdb=" O LEU T 15 " (cutoff:3.500A) Processing helix chain 'U' and resid 1 through 19 Processing helix chain 'V' and resid 2 through 19 Processing helix chain 'W' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS W 6 " --> pdb=" O GLU W 2 " (cutoff:3.500A) Processing helix chain 'X' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU X 7 " --> pdb=" O PHE X 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS X 17 " --> pdb=" O ASP X 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE X 18 " --> pdb=" O LEU X 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU X 19 " --> pdb=" O LEU X 15 " (cutoff:3.500A) Processing helix chain 'Y' and resid 1 through 19 Processing helix chain 'Z' and resid 2 through 19 Processing helix chain '0' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS 0 6 " --> pdb=" O GLU 0 2 " (cutoff:3.500A) Processing helix chain '1' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU 1 7 " --> pdb=" O PHE 1 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS 1 17 " --> pdb=" O ASP 1 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHE 1 18 " --> pdb=" O LEU 1 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU 1 19 " --> pdb=" O LEU 1 15 " (cutoff:3.500A) Processing helix chain '2' and resid 1 through 19 Processing helix chain '3' and resid 2 through 19 Processing helix chain '4' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS 4 6 " --> pdb=" O GLU 4 2 " (cutoff:3.500A) Processing helix chain '5' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU 5 7 " --> pdb=" O PHE 5 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS 5 17 " --> pdb=" O ASP 5 13 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N PHE 5 18 " --> pdb=" O LEU 5 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU 5 19 " --> pdb=" O LEU 5 15 " (cutoff:3.500A) Processing helix chain '6' and resid 1 through 19 Processing helix chain '7' and resid 2 through 19 Processing helix chain '8' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS 8 6 " --> pdb=" O GLU 8 2 " (cutoff:3.500A) Processing helix chain '9' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU 9 7 " --> pdb=" O PHE 9 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS 9 17 " --> pdb=" O ASP 9 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE 9 18 " --> pdb=" O LEU 9 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU 9 19 " --> pdb=" O LEU 9 15 " (cutoff:3.500A) Processing helix chain 'a' and resid 1 through 19 Processing helix chain 'b' and resid 2 through 19 Processing helix chain 'c' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS c 6 " --> pdb=" O GLU c 2 " (cutoff:3.500A) Processing helix chain 'd' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU d 7 " --> pdb=" O PHE d 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS d 17 " --> pdb=" O ASP d 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE d 18 " --> pdb=" O LEU d 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU d 19 " --> pdb=" O LEU d 15 " (cutoff:3.500A) Processing helix chain 'e' and resid 1 through 19 Processing helix chain 'f' and resid 2 through 19 Processing helix chain 'g' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS g 6 " --> pdb=" O GLU g 2 " (cutoff:3.500A) Processing helix chain 'h' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU h 7 " --> pdb=" O PHE h 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS h 17 " --> pdb=" O ASP h 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE h 18 " --> pdb=" O LEU h 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU h 19 " --> pdb=" O LEU h 15 " (cutoff:3.500A) Processing helix chain 'i' and resid 1 through 19 Processing helix chain 'j' and resid 2 through 19 Processing helix chain 'k' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS k 6 " --> pdb=" O GLU k 2 " (cutoff:3.500A) Processing helix chain 'l' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU l 7 " --> pdb=" O PHE l 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS l 17 " --> pdb=" O ASP l 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE l 18 " --> pdb=" O LEU l 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEU l 19 " --> pdb=" O LEU l 15 " (cutoff:3.500A) Processing helix chain 'm' and resid 1 through 19 Processing helix chain 'n' and resid 2 through 19 Processing helix chain 'o' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS o 6 " --> pdb=" O GLU o 2 " (cutoff:3.500A) Processing helix chain 'p' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU p 7 " --> pdb=" O PHE p 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS p 17 " --> pdb=" O ASP p 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE p 18 " --> pdb=" O LEU p 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU p 19 " --> pdb=" O LEU p 15 " (cutoff:3.500A) Processing helix chain 'q' and resid 1 through 19 Processing helix chain 'r' and resid 2 through 19 Processing helix chain 's' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS s 6 " --> pdb=" O GLU s 2 " (cutoff:3.500A) Processing helix chain 't' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU t 7 " --> pdb=" O PHE t 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS t 17 " --> pdb=" O ASP t 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHE t 18 " --> pdb=" O LEU t 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU t 19 " --> pdb=" O LEU t 15 " (cutoff:3.500A) Processing helix chain 'u' and resid 1 through 19 Processing helix chain 'v' and resid 2 through 19 Processing helix chain 'w' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYS w 6 " --> pdb=" O GLU w 2 " (cutoff:3.500A) Processing helix chain 'x' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEU x 7 " --> pdb=" O PHE x 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS x 17 " --> pdb=" O ASP x 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE x 18 " --> pdb=" O LEU x 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU x 19 " --> pdb=" O LEU x 15 " (cutoff:3.500A) Processing helix chain 'y' and resid 1 through 19 Processing helix chain 'z' and resid 2 through 19 Processing helix chain 'AA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSAA 6 " --> pdb=" O GLUAA 2 " (cutoff:3.500A) Processing helix chain 'AB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUAB 7 " --> pdb=" O PHEAB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSAB 17 " --> pdb=" O ASPAB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEAB 18 " --> pdb=" O LEUAB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUAB 19 " --> pdb=" O LEUAB 15 " (cutoff:3.500A) Processing helix chain 'AC' and resid 1 through 19 Processing helix chain 'AD' and resid 2 through 19 Processing helix chain 'AE' and resid 2 through 19 removed outlier: 3.748A pdb=" N LYSAE 6 " --> pdb=" O GLUAE 2 " (cutoff:3.500A) Processing helix chain 'AF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUAF 7 " --> pdb=" O PHEAF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSAF 17 " --> pdb=" O ASPAF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEAF 18 " --> pdb=" O LEUAF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUAF 19 " --> pdb=" O LEUAF 15 " (cutoff:3.500A) Processing helix chain 'AG' and resid 1 through 19 Processing helix chain 'AH' and resid 2 through 19 Processing helix chain 'AI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSAI 6 " --> pdb=" O GLUAI 2 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUAJ 7 " --> pdb=" O PHEAJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSAJ 17 " --> pdb=" O ASPAJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEAJ 18 " --> pdb=" O LEUAJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUAJ 19 " --> pdb=" O LEUAJ 15 " (cutoff:3.500A) Processing helix chain 'AK' and resid 1 through 19 Processing helix chain 'AL' and resid 2 through 19 Processing helix chain 'AM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSAM 6 " --> pdb=" O GLUAM 2 " (cutoff:3.500A) Processing helix chain 'AN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUAN 7 " --> pdb=" O PHEAN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSAN 17 " --> pdb=" O ASPAN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEAN 18 " --> pdb=" O LEUAN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUAN 19 " --> pdb=" O LEUAN 15 " (cutoff:3.500A) Processing helix chain 'AO' and resid 1 through 19 Processing helix chain 'AP' and resid 2 through 19 Processing helix chain 'AQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSAQ 6 " --> pdb=" O GLUAQ 2 " (cutoff:3.500A) Processing helix chain 'AR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUAR 7 " --> pdb=" O PHEAR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSAR 17 " --> pdb=" O ASPAR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEAR 18 " --> pdb=" O LEUAR 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUAR 19 " --> pdb=" O LEUAR 15 " (cutoff:3.500A) Processing helix chain 'AS' and resid 1 through 19 Processing helix chain 'AT' and resid 2 through 19 Processing helix chain 'AU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSAU 6 " --> pdb=" O GLUAU 2 " (cutoff:3.500A) Processing helix chain 'AV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUAV 7 " --> pdb=" O PHEAV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSAV 17 " --> pdb=" O ASPAV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEAV 18 " --> pdb=" O LEUAV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUAV 19 " --> pdb=" O LEUAV 15 " (cutoff:3.500A) Processing helix chain 'AW' and resid 1 through 19 Processing helix chain 'AX' and resid 2 through 19 Processing helix chain 'AY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSAY 6 " --> pdb=" O GLUAY 2 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUAZ 7 " --> pdb=" O PHEAZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSAZ 17 " --> pdb=" O ASPAZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEAZ 18 " --> pdb=" O LEUAZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUAZ 19 " --> pdb=" O LEUAZ 15 " (cutoff:3.500A) Processing helix chain 'A0' and resid 1 through 19 Processing helix chain 'A1' and resid 2 through 19 Processing helix chain 'A2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSA2 6 " --> pdb=" O GLUA2 2 " (cutoff:3.500A) Processing helix chain 'A3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUA3 7 " --> pdb=" O PHEA3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSA3 17 " --> pdb=" O ASPA3 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEA3 18 " --> pdb=" O LEUA3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUA3 19 " --> pdb=" O LEUA3 15 " (cutoff:3.500A) Processing helix chain 'A4' and resid 1 through 19 Processing helix chain 'A5' and resid 2 through 19 Processing helix chain 'A6' and resid 2 through 19 removed outlier: 3.750A pdb=" N LYSA6 6 " --> pdb=" O GLUA6 2 " (cutoff:3.500A) Processing helix chain 'A7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUA7 7 " --> pdb=" O PHEA7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSA7 17 " --> pdb=" O ASPA7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEA7 18 " --> pdb=" O LEUA7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUA7 19 " --> pdb=" O LEUA7 15 " (cutoff:3.500A) Processing helix chain 'A8' and resid 1 through 19 Processing helix chain 'A9' and resid 2 through 19 Processing helix chain 'BA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSBA 6 " --> pdb=" O GLUBA 2 " (cutoff:3.500A) Processing helix chain 'BB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUBB 7 " --> pdb=" O PHEBB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSBB 17 " --> pdb=" O ASPBB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEBB 18 " --> pdb=" O LEUBB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUBB 19 " --> pdb=" O LEUBB 15 " (cutoff:3.500A) Processing helix chain 'BC' and resid 1 through 19 Processing helix chain 'BD' and resid 2 through 19 Processing helix chain 'BE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSBE 6 " --> pdb=" O GLUBE 2 " (cutoff:3.500A) Processing helix chain 'BF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUBF 7 " --> pdb=" O PHEBF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSBF 17 " --> pdb=" O ASPBF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEBF 18 " --> pdb=" O LEUBF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUBF 19 " --> pdb=" O LEUBF 15 " (cutoff:3.500A) Processing helix chain 'BG' and resid 1 through 19 Processing helix chain 'BH' and resid 2 through 19 Processing helix chain 'BI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSBI 6 " --> pdb=" O GLUBI 2 " (cutoff:3.500A) Processing helix chain 'BJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUBJ 7 " --> pdb=" O PHEBJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSBJ 17 " --> pdb=" O ASPBJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEBJ 18 " --> pdb=" O LEUBJ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUBJ 19 " --> pdb=" O LEUBJ 15 " (cutoff:3.500A) Processing helix chain 'BK' and resid 1 through 19 Processing helix chain 'BL' and resid 2 through 19 Processing helix chain 'BM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSBM 6 " --> pdb=" O GLUBM 2 " (cutoff:3.500A) Processing helix chain 'BN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUBN 7 " --> pdb=" O PHEBN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSBN 17 " --> pdb=" O ASPBN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEBN 18 " --> pdb=" O LEUBN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUBN 19 " --> pdb=" O LEUBN 15 " (cutoff:3.500A) Processing helix chain 'BO' and resid 1 through 19 Processing helix chain 'BP' and resid 2 through 19 Processing helix chain 'BQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSBQ 6 " --> pdb=" O GLUBQ 2 " (cutoff:3.500A) Processing helix chain 'BR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUBR 7 " --> pdb=" O PHEBR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSBR 17 " --> pdb=" O ASPBR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEBR 18 " --> pdb=" O LEUBR 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUBR 19 " --> pdb=" O LEUBR 15 " (cutoff:3.500A) Processing helix chain 'BS' and resid 1 through 19 Processing helix chain 'BT' and resid 2 through 19 Processing helix chain 'BU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSBU 6 " --> pdb=" O GLUBU 2 " (cutoff:3.500A) Processing helix chain 'BV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUBV 7 " --> pdb=" O PHEBV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSBV 17 " --> pdb=" O ASPBV 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEBV 18 " --> pdb=" O LEUBV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUBV 19 " --> pdb=" O LEUBV 15 " (cutoff:3.500A) Processing helix chain 'BW' and resid 1 through 19 Processing helix chain 'BX' and resid 2 through 19 Processing helix chain 'BY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSBY 6 " --> pdb=" O GLUBY 2 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUBZ 7 " --> pdb=" O PHEBZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSBZ 17 " --> pdb=" O ASPBZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEBZ 18 " --> pdb=" O LEUBZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUBZ 19 " --> pdb=" O LEUBZ 15 " (cutoff:3.500A) Processing helix chain 'B0' and resid 1 through 19 Processing helix chain 'B1' and resid 2 through 19 Processing helix chain 'B2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSB2 6 " --> pdb=" O GLUB2 2 " (cutoff:3.500A) Processing helix chain 'B3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUB3 7 " --> pdb=" O PHEB3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSB3 17 " --> pdb=" O ASPB3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEB3 18 " --> pdb=" O LEUB3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUB3 19 " --> pdb=" O LEUB3 15 " (cutoff:3.500A) Processing helix chain 'B4' and resid 1 through 19 Processing helix chain 'B5' and resid 2 through 19 Processing helix chain 'B6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSB6 6 " --> pdb=" O GLUB6 2 " (cutoff:3.500A) Processing helix chain 'B7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUB7 7 " --> pdb=" O PHEB7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSB7 17 " --> pdb=" O ASPB7 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEB7 18 " --> pdb=" O LEUB7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUB7 19 " --> pdb=" O LEUB7 15 " (cutoff:3.500A) Processing helix chain 'B8' and resid 1 through 19 Processing helix chain 'B9' and resid 2 through 19 Processing helix chain 'CA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSCA 6 " --> pdb=" O GLUCA 2 " (cutoff:3.500A) Processing helix chain 'CB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUCB 7 " --> pdb=" O PHECB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSCB 17 " --> pdb=" O ASPCB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHECB 18 " --> pdb=" O LEUCB 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUCB 19 " --> pdb=" O LEUCB 15 " (cutoff:3.500A) Processing helix chain 'CC' and resid 1 through 19 Processing helix chain 'CD' and resid 2 through 19 Processing helix chain 'CE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSCE 6 " --> pdb=" O GLUCE 2 " (cutoff:3.500A) Processing helix chain 'CF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUCF 7 " --> pdb=" O PHECF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSCF 17 " --> pdb=" O ASPCF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHECF 18 " --> pdb=" O LEUCF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUCF 19 " --> pdb=" O LEUCF 15 " (cutoff:3.500A) Processing helix chain 'CG' and resid 1 through 19 Processing helix chain 'CH' and resid 2 through 19 Processing helix chain 'CI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSCI 6 " --> pdb=" O GLUCI 2 " (cutoff:3.500A) Processing helix chain 'CJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUCJ 7 " --> pdb=" O PHECJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSCJ 17 " --> pdb=" O ASPCJ 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHECJ 18 " --> pdb=" O LEUCJ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUCJ 19 " --> pdb=" O LEUCJ 15 " (cutoff:3.500A) Processing helix chain 'CK' and resid 1 through 19 Processing helix chain 'CL' and resid 2 through 19 Processing helix chain 'CM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSCM 6 " --> pdb=" O GLUCM 2 " (cutoff:3.500A) Processing helix chain 'CN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUCN 7 " --> pdb=" O PHECN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSCN 17 " --> pdb=" O ASPCN 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHECN 18 " --> pdb=" O LEUCN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUCN 19 " --> pdb=" O LEUCN 15 " (cutoff:3.500A) Processing helix chain 'CO' and resid 1 through 19 Processing helix chain 'CP' and resid 2 through 19 Processing helix chain 'CQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSCQ 6 " --> pdb=" O GLUCQ 2 " (cutoff:3.500A) Processing helix chain 'CR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUCR 7 " --> pdb=" O PHECR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSCR 17 " --> pdb=" O ASPCR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHECR 18 " --> pdb=" O LEUCR 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUCR 19 " --> pdb=" O LEUCR 15 " (cutoff:3.500A) Processing helix chain 'CS' and resid 1 through 19 Processing helix chain 'CT' and resid 2 through 19 Processing helix chain 'CU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSCU 6 " --> pdb=" O GLUCU 2 " (cutoff:3.500A) Processing helix chain 'CV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUCV 7 " --> pdb=" O PHECV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSCV 17 " --> pdb=" O ASPCV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHECV 18 " --> pdb=" O LEUCV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUCV 19 " --> pdb=" O LEUCV 15 " (cutoff:3.500A) Processing helix chain 'CW' and resid 1 through 19 Processing helix chain 'CX' and resid 2 through 19 Processing helix chain 'CY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSCY 6 " --> pdb=" O GLUCY 2 " (cutoff:3.500A) Processing helix chain 'CZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUCZ 7 " --> pdb=" O PHECZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSCZ 17 " --> pdb=" O ASPCZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHECZ 18 " --> pdb=" O LEUCZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUCZ 19 " --> pdb=" O LEUCZ 15 " (cutoff:3.500A) Processing helix chain 'C0' and resid 1 through 19 Processing helix chain 'C1' and resid 2 through 19 Processing helix chain 'C2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSC2 6 " --> pdb=" O GLUC2 2 " (cutoff:3.500A) Processing helix chain 'C3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUC3 7 " --> pdb=" O PHEC3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSC3 17 " --> pdb=" O ASPC3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEC3 18 " --> pdb=" O LEUC3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUC3 19 " --> pdb=" O LEUC3 15 " (cutoff:3.500A) Processing helix chain 'C4' and resid 1 through 19 Processing helix chain 'C5' and resid 2 through 19 Processing helix chain 'C6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSC6 6 " --> pdb=" O GLUC6 2 " (cutoff:3.500A) Processing helix chain 'C7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUC7 7 " --> pdb=" O PHEC7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSC7 17 " --> pdb=" O ASPC7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEC7 18 " --> pdb=" O LEUC7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUC7 19 " --> pdb=" O LEUC7 15 " (cutoff:3.500A) Processing helix chain 'C8' and resid 1 through 19 Processing helix chain 'C9' and resid 2 through 19 Processing helix chain 'DA' and resid 2 through 19 removed outlier: 3.748A pdb=" N LYSDA 6 " --> pdb=" O GLUDA 2 " (cutoff:3.500A) Processing helix chain 'DB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUDB 7 " --> pdb=" O PHEDB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSDB 17 " --> pdb=" O ASPDB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEDB 18 " --> pdb=" O LEUDB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUDB 19 " --> pdb=" O LEUDB 15 " (cutoff:3.500A) Processing helix chain 'DC' and resid 1 through 19 Processing helix chain 'DD' and resid 2 through 19 Processing helix chain 'DE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSDE 6 " --> pdb=" O GLUDE 2 " (cutoff:3.500A) Processing helix chain 'DF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUDF 7 " --> pdb=" O PHEDF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSDF 17 " --> pdb=" O ASPDF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEDF 18 " --> pdb=" O LEUDF 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUDF 19 " --> pdb=" O LEUDF 15 " (cutoff:3.500A) Processing helix chain 'DG' and resid 1 through 19 Processing helix chain 'DH' and resid 2 through 19 Processing helix chain 'DI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSDI 6 " --> pdb=" O GLUDI 2 " (cutoff:3.500A) Processing helix chain 'DJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUDJ 7 " --> pdb=" O PHEDJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSDJ 17 " --> pdb=" O ASPDJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEDJ 18 " --> pdb=" O LEUDJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUDJ 19 " --> pdb=" O LEUDJ 15 " (cutoff:3.500A) Processing helix chain 'DK' and resid 1 through 19 Processing helix chain 'DL' and resid 2 through 19 Processing helix chain 'DM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSDM 6 " --> pdb=" O GLUDM 2 " (cutoff:3.500A) Processing helix chain 'DN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUDN 7 " --> pdb=" O PHEDN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSDN 17 " --> pdb=" O ASPDN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEDN 18 " --> pdb=" O LEUDN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUDN 19 " --> pdb=" O LEUDN 15 " (cutoff:3.500A) Processing helix chain 'DO' and resid 1 through 19 Processing helix chain 'DP' and resid 2 through 19 Processing helix chain 'DQ' and resid 2 through 19 removed outlier: 3.748A pdb=" N LYSDQ 6 " --> pdb=" O GLUDQ 2 " (cutoff:3.500A) Processing helix chain 'DR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUDR 7 " --> pdb=" O PHEDR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSDR 17 " --> pdb=" O ASPDR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEDR 18 " --> pdb=" O LEUDR 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUDR 19 " --> pdb=" O LEUDR 15 " (cutoff:3.500A) Processing helix chain 'DS' and resid 1 through 19 Processing helix chain 'DT' and resid 2 through 19 Processing helix chain 'DU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSDU 6 " --> pdb=" O GLUDU 2 " (cutoff:3.500A) Processing helix chain 'DV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUDV 7 " --> pdb=" O PHEDV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSDV 17 " --> pdb=" O ASPDV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEDV 18 " --> pdb=" O LEUDV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUDV 19 " --> pdb=" O LEUDV 15 " (cutoff:3.500A) Processing helix chain 'DW' and resid 1 through 19 Processing helix chain 'DX' and resid 2 through 19 Processing helix chain 'DY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSDY 6 " --> pdb=" O GLUDY 2 " (cutoff:3.500A) Processing helix chain 'DZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUDZ 7 " --> pdb=" O PHEDZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSDZ 17 " --> pdb=" O ASPDZ 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEDZ 18 " --> pdb=" O LEUDZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUDZ 19 " --> pdb=" O LEUDZ 15 " (cutoff:3.500A) Processing helix chain 'D0' and resid 1 through 19 Processing helix chain 'D1' and resid 2 through 19 Processing helix chain 'D2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSD2 6 " --> pdb=" O GLUD2 2 " (cutoff:3.500A) Processing helix chain 'D3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUD3 7 " --> pdb=" O PHED3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSD3 17 " --> pdb=" O ASPD3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHED3 18 " --> pdb=" O LEUD3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUD3 19 " --> pdb=" O LEUD3 15 " (cutoff:3.500A) Processing helix chain 'D4' and resid 1 through 19 Processing helix chain 'D5' and resid 2 through 19 Processing helix chain 'D6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSD6 6 " --> pdb=" O GLUD6 2 " (cutoff:3.500A) Processing helix chain 'D7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUD7 7 " --> pdb=" O PHED7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSD7 17 " --> pdb=" O ASPD7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHED7 18 " --> pdb=" O LEUD7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUD7 19 " --> pdb=" O LEUD7 15 " (cutoff:3.500A) Processing helix chain 'D8' and resid 1 through 19 Processing helix chain 'D9' and resid 2 through 19 Processing helix chain 'EA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSEA 6 " --> pdb=" O GLUEA 2 " (cutoff:3.500A) Processing helix chain 'EB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUEB 7 " --> pdb=" O PHEEB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSEB 17 " --> pdb=" O ASPEB 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEEB 18 " --> pdb=" O LEUEB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUEB 19 " --> pdb=" O LEUEB 15 " (cutoff:3.500A) Processing helix chain 'EC' and resid 1 through 19 Processing helix chain 'ED' and resid 2 through 19 Processing helix chain 'EE' and resid 2 through 19 removed outlier: 3.748A pdb=" N LYSEE 6 " --> pdb=" O GLUEE 2 " (cutoff:3.500A) Processing helix chain 'EF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUEF 7 " --> pdb=" O PHEEF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSEF 17 " --> pdb=" O ASPEF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEEF 18 " --> pdb=" O LEUEF 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUEF 19 " --> pdb=" O LEUEF 15 " (cutoff:3.500A) Processing helix chain 'EG' and resid 1 through 19 Processing helix chain 'EH' and resid 2 through 19 Processing helix chain 'EI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSEI 6 " --> pdb=" O GLUEI 2 " (cutoff:3.500A) Processing helix chain 'EJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUEJ 7 " --> pdb=" O PHEEJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSEJ 17 " --> pdb=" O ASPEJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEEJ 18 " --> pdb=" O LEUEJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUEJ 19 " --> pdb=" O LEUEJ 15 " (cutoff:3.500A) Processing helix chain 'EK' and resid 1 through 19 Processing helix chain 'EL' and resid 2 through 19 Processing helix chain 'EM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSEM 6 " --> pdb=" O GLUEM 2 " (cutoff:3.500A) Processing helix chain 'EN' and resid 2 through 19 removed outlier: 3.583A pdb=" N LEUEN 7 " --> pdb=" O PHEEN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSEN 17 " --> pdb=" O ASPEN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEEN 18 " --> pdb=" O LEUEN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUEN 19 " --> pdb=" O LEUEN 15 " (cutoff:3.500A) Processing helix chain 'EO' and resid 1 through 19 Processing helix chain 'EP' and resid 2 through 19 Processing helix chain 'EQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSEQ 6 " --> pdb=" O GLUEQ 2 " (cutoff:3.500A) Processing helix chain 'ER' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUER 7 " --> pdb=" O PHEER 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSER 17 " --> pdb=" O ASPER 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEER 18 " --> pdb=" O LEUER 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUER 19 " --> pdb=" O LEUER 15 " (cutoff:3.500A) Processing helix chain 'ES' and resid 1 through 19 Processing helix chain 'ET' and resid 2 through 19 Processing helix chain 'EU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSEU 6 " --> pdb=" O GLUEU 2 " (cutoff:3.500A) Processing helix chain 'EV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUEV 7 " --> pdb=" O PHEEV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSEV 17 " --> pdb=" O ASPEV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEEV 18 " --> pdb=" O LEUEV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUEV 19 " --> pdb=" O LEUEV 15 " (cutoff:3.500A) Processing helix chain 'EW' and resid 1 through 19 Processing helix chain 'EX' and resid 2 through 19 Processing helix chain 'EY' and resid 2 through 19 removed outlier: 3.748A pdb=" N LYSEY 6 " --> pdb=" O GLUEY 2 " (cutoff:3.500A) Processing helix chain 'EZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUEZ 7 " --> pdb=" O PHEEZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSEZ 17 " --> pdb=" O ASPEZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEEZ 18 " --> pdb=" O LEUEZ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUEZ 19 " --> pdb=" O LEUEZ 15 " (cutoff:3.500A) Processing helix chain 'E0' and resid 1 through 19 Processing helix chain 'E1' and resid 2 through 19 Processing helix chain 'E2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSE2 6 " --> pdb=" O GLUE2 2 " (cutoff:3.500A) Processing helix chain 'E3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUE3 7 " --> pdb=" O PHEE3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSE3 17 " --> pdb=" O ASPE3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEE3 18 " --> pdb=" O LEUE3 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUE3 19 " --> pdb=" O LEUE3 15 " (cutoff:3.500A) Processing helix chain 'E4' and resid 1 through 19 Processing helix chain 'E5' and resid 2 through 19 Processing helix chain 'E6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSE6 6 " --> pdb=" O GLUE6 2 " (cutoff:3.500A) Processing helix chain 'E7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUE7 7 " --> pdb=" O PHEE7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSE7 17 " --> pdb=" O ASPE7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEE7 18 " --> pdb=" O LEUE7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUE7 19 " --> pdb=" O LEUE7 15 " (cutoff:3.500A) Processing helix chain 'E8' and resid 1 through 19 Processing helix chain 'E9' and resid 2 through 19 Processing helix chain 'FA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSFA 6 " --> pdb=" O GLUFA 2 " (cutoff:3.500A) Processing helix chain 'FB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUFB 7 " --> pdb=" O PHEFB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSFB 17 " --> pdb=" O ASPFB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEFB 18 " --> pdb=" O LEUFB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUFB 19 " --> pdb=" O LEUFB 15 " (cutoff:3.500A) Processing helix chain 'FC' and resid 1 through 19 Processing helix chain 'FD' and resid 2 through 19 Processing helix chain 'FE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSFE 6 " --> pdb=" O GLUFE 2 " (cutoff:3.500A) Processing helix chain 'FF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUFF 7 " --> pdb=" O PHEFF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSFF 17 " --> pdb=" O ASPFF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEFF 18 " --> pdb=" O LEUFF 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUFF 19 " --> pdb=" O LEUFF 15 " (cutoff:3.500A) Processing helix chain 'FG' and resid 1 through 19 Processing helix chain 'FH' and resid 2 through 19 Processing helix chain 'FI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSFI 6 " --> pdb=" O GLUFI 2 " (cutoff:3.500A) Processing helix chain 'FJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUFJ 7 " --> pdb=" O PHEFJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSFJ 17 " --> pdb=" O ASPFJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEFJ 18 " --> pdb=" O LEUFJ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUFJ 19 " --> pdb=" O LEUFJ 15 " (cutoff:3.500A) Processing helix chain 'FK' and resid 1 through 19 Processing helix chain 'FL' and resid 2 through 19 Processing helix chain 'FM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSFM 6 " --> pdb=" O GLUFM 2 " (cutoff:3.500A) Processing helix chain 'FN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUFN 7 " --> pdb=" O PHEFN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSFN 17 " --> pdb=" O ASPFN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEFN 18 " --> pdb=" O LEUFN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUFN 19 " --> pdb=" O LEUFN 15 " (cutoff:3.500A) Processing helix chain 'FO' and resid 1 through 19 Processing helix chain 'FP' and resid 2 through 19 Processing helix chain 'FQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSFQ 6 " --> pdb=" O GLUFQ 2 " (cutoff:3.500A) Processing helix chain 'FR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUFR 7 " --> pdb=" O PHEFR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSFR 17 " --> pdb=" O ASPFR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEFR 18 " --> pdb=" O LEUFR 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUFR 19 " --> pdb=" O LEUFR 15 " (cutoff:3.500A) Processing helix chain 'FS' and resid 1 through 19 Processing helix chain 'FT' and resid 2 through 19 Processing helix chain 'FU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSFU 6 " --> pdb=" O GLUFU 2 " (cutoff:3.500A) Processing helix chain 'FV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUFV 7 " --> pdb=" O PHEFV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSFV 17 " --> pdb=" O ASPFV 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEFV 18 " --> pdb=" O LEUFV 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUFV 19 " --> pdb=" O LEUFV 15 " (cutoff:3.500A) Processing helix chain 'FW' and resid 1 through 19 Processing helix chain 'FX' and resid 2 through 19 Processing helix chain 'FY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSFY 6 " --> pdb=" O GLUFY 2 " (cutoff:3.500A) Processing helix chain 'FZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUFZ 7 " --> pdb=" O PHEFZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSFZ 17 " --> pdb=" O ASPFZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEFZ 18 " --> pdb=" O LEUFZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUFZ 19 " --> pdb=" O LEUFZ 15 " (cutoff:3.500A) Processing helix chain 'F0' and resid 1 through 19 Processing helix chain 'F1' and resid 2 through 19 Processing helix chain 'F2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSF2 6 " --> pdb=" O GLUF2 2 " (cutoff:3.500A) Processing helix chain 'F3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUF3 7 " --> pdb=" O PHEF3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSF3 17 " --> pdb=" O ASPF3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEF3 18 " --> pdb=" O LEUF3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUF3 19 " --> pdb=" O LEUF3 15 " (cutoff:3.500A) Processing helix chain 'F4' and resid 1 through 19 Processing helix chain 'F5' and resid 2 through 19 Processing helix chain 'F6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSF6 6 " --> pdb=" O GLUF6 2 " (cutoff:3.500A) Processing helix chain 'F7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUF7 7 " --> pdb=" O PHEF7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSF7 17 " --> pdb=" O ASPF7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEF7 18 " --> pdb=" O LEUF7 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUF7 19 " --> pdb=" O LEUF7 15 " (cutoff:3.500A) Processing helix chain 'F8' and resid 1 through 19 Processing helix chain 'F9' and resid 2 through 19 Processing helix chain 'GA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSGA 6 " --> pdb=" O GLUGA 2 " (cutoff:3.500A) Processing helix chain 'GB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUGB 7 " --> pdb=" O PHEGB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSGB 17 " --> pdb=" O ASPGB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEGB 18 " --> pdb=" O LEUGB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUGB 19 " --> pdb=" O LEUGB 15 " (cutoff:3.500A) Processing helix chain 'GC' and resid 1 through 19 Processing helix chain 'GD' and resid 2 through 19 Processing helix chain 'GE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSGE 6 " --> pdb=" O GLUGE 2 " (cutoff:3.500A) Processing helix chain 'GF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUGF 7 " --> pdb=" O PHEGF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSGF 17 " --> pdb=" O ASPGF 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEGF 18 " --> pdb=" O LEUGF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUGF 19 " --> pdb=" O LEUGF 15 " (cutoff:3.500A) Processing helix chain 'GG' and resid 1 through 19 Processing helix chain 'GH' and resid 2 through 19 Processing helix chain 'GI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSGI 6 " --> pdb=" O GLUGI 2 " (cutoff:3.500A) Processing helix chain 'GJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUGJ 7 " --> pdb=" O PHEGJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSGJ 17 " --> pdb=" O ASPGJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEGJ 18 " --> pdb=" O LEUGJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUGJ 19 " --> pdb=" O LEUGJ 15 " (cutoff:3.500A) Processing helix chain 'GK' and resid 1 through 19 Processing helix chain 'GL' and resid 2 through 19 Processing helix chain 'GM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSGM 6 " --> pdb=" O GLUGM 2 " (cutoff:3.500A) Processing helix chain 'GN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUGN 7 " --> pdb=" O PHEGN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSGN 17 " --> pdb=" O ASPGN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEGN 18 " --> pdb=" O LEUGN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUGN 19 " --> pdb=" O LEUGN 15 " (cutoff:3.500A) Processing helix chain 'GO' and resid 1 through 19 Processing helix chain 'GP' and resid 2 through 19 Processing helix chain 'GQ' and resid 2 through 19 removed outlier: 3.748A pdb=" N LYSGQ 6 " --> pdb=" O GLUGQ 2 " (cutoff:3.500A) Processing helix chain 'GR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUGR 7 " --> pdb=" O PHEGR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSGR 17 " --> pdb=" O ASPGR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEGR 18 " --> pdb=" O LEUGR 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUGR 19 " --> pdb=" O LEUGR 15 " (cutoff:3.500A) Processing helix chain 'GS' and resid 1 through 19 Processing helix chain 'GT' and resid 2 through 19 Processing helix chain 'GU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSGU 6 " --> pdb=" O GLUGU 2 " (cutoff:3.500A) Processing helix chain 'GV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUGV 7 " --> pdb=" O PHEGV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSGV 17 " --> pdb=" O ASPGV 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEGV 18 " --> pdb=" O LEUGV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUGV 19 " --> pdb=" O LEUGV 15 " (cutoff:3.500A) Processing helix chain 'GW' and resid 1 through 19 Processing helix chain 'GX' and resid 2 through 19 Processing helix chain 'GY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSGY 6 " --> pdb=" O GLUGY 2 " (cutoff:3.500A) Processing helix chain 'GZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUGZ 7 " --> pdb=" O PHEGZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSGZ 17 " --> pdb=" O ASPGZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEGZ 18 " --> pdb=" O LEUGZ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUGZ 19 " --> pdb=" O LEUGZ 15 " (cutoff:3.500A) Processing helix chain 'G0' and resid 1 through 19 Processing helix chain 'G1' and resid 2 through 19 Processing helix chain 'G2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSG2 6 " --> pdb=" O GLUG2 2 " (cutoff:3.500A) Processing helix chain 'G3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUG3 7 " --> pdb=" O PHEG3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSG3 17 " --> pdb=" O ASPG3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEG3 18 " --> pdb=" O LEUG3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUG3 19 " --> pdb=" O LEUG3 15 " (cutoff:3.500A) Processing helix chain 'G4' and resid 1 through 19 Processing helix chain 'G5' and resid 2 through 19 Processing helix chain 'G6' and resid 2 through 19 removed outlier: 3.750A pdb=" N LYSG6 6 " --> pdb=" O GLUG6 2 " (cutoff:3.500A) Processing helix chain 'G7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUG7 7 " --> pdb=" O PHEG7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSG7 17 " --> pdb=" O ASPG7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEG7 18 " --> pdb=" O LEUG7 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUG7 19 " --> pdb=" O LEUG7 15 " (cutoff:3.500A) Processing helix chain 'G8' and resid 1 through 19 Processing helix chain 'G9' and resid 2 through 19 Processing helix chain 'HA' and resid 2 through 19 removed outlier: 3.748A pdb=" N LYSHA 6 " --> pdb=" O GLUHA 2 " (cutoff:3.500A) Processing helix chain 'HB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUHB 7 " --> pdb=" O PHEHB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSHB 17 " --> pdb=" O ASPHB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEHB 18 " --> pdb=" O LEUHB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUHB 19 " --> pdb=" O LEUHB 15 " (cutoff:3.500A) Processing helix chain 'HC' and resid 1 through 19 Processing helix chain 'HD' and resid 2 through 19 Processing helix chain 'HE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSHE 6 " --> pdb=" O GLUHE 2 " (cutoff:3.500A) Processing helix chain 'HF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUHF 7 " --> pdb=" O PHEHF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSHF 17 " --> pdb=" O ASPHF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEHF 18 " --> pdb=" O LEUHF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUHF 19 " --> pdb=" O LEUHF 15 " (cutoff:3.500A) Processing helix chain 'HG' and resid 1 through 19 Processing helix chain 'HH' and resid 2 through 19 Processing helix chain 'HI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSHI 6 " --> pdb=" O GLUHI 2 " (cutoff:3.500A) Processing helix chain 'HJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUHJ 7 " --> pdb=" O PHEHJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSHJ 17 " --> pdb=" O ASPHJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEHJ 18 " --> pdb=" O LEUHJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUHJ 19 " --> pdb=" O LEUHJ 15 " (cutoff:3.500A) Processing helix chain 'HK' and resid 1 through 19 Processing helix chain 'HL' and resid 2 through 19 Processing helix chain 'HM' and resid 2 through 19 removed outlier: 3.750A pdb=" N LYSHM 6 " --> pdb=" O GLUHM 2 " (cutoff:3.500A) Processing helix chain 'HN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUHN 7 " --> pdb=" O PHEHN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSHN 17 " --> pdb=" O ASPHN 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEHN 18 " --> pdb=" O LEUHN 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUHN 19 " --> pdb=" O LEUHN 15 " (cutoff:3.500A) Processing helix chain 'HO' and resid 1 through 19 Processing helix chain 'HP' and resid 2 through 19 Processing helix chain 'HQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSHQ 6 " --> pdb=" O GLUHQ 2 " (cutoff:3.500A) Processing helix chain 'HR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUHR 7 " --> pdb=" O PHEHR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSHR 17 " --> pdb=" O ASPHR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEHR 18 " --> pdb=" O LEUHR 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUHR 19 " --> pdb=" O LEUHR 15 " (cutoff:3.500A) Processing helix chain 'HS' and resid 1 through 19 Processing helix chain 'HT' and resid 2 through 19 Processing helix chain 'HU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSHU 6 " --> pdb=" O GLUHU 2 " (cutoff:3.500A) Processing helix chain 'HV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUHV 7 " --> pdb=" O PHEHV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSHV 17 " --> pdb=" O ASPHV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEHV 18 " --> pdb=" O LEUHV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUHV 19 " --> pdb=" O LEUHV 15 " (cutoff:3.500A) Processing helix chain 'HW' and resid 1 through 19 Processing helix chain 'HX' and resid 2 through 19 Processing helix chain 'HY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSHY 6 " --> pdb=" O GLUHY 2 " (cutoff:3.500A) Processing helix chain 'HZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUHZ 7 " --> pdb=" O PHEHZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSHZ 17 " --> pdb=" O ASPHZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEHZ 18 " --> pdb=" O LEUHZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUHZ 19 " --> pdb=" O LEUHZ 15 " (cutoff:3.500A) Processing helix chain 'H0' and resid 1 through 19 Processing helix chain 'H1' and resid 2 through 19 Processing helix chain 'H2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSH2 6 " --> pdb=" O GLUH2 2 " (cutoff:3.500A) Processing helix chain 'H3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUH3 7 " --> pdb=" O PHEH3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSH3 17 " --> pdb=" O ASPH3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEH3 18 " --> pdb=" O LEUH3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUH3 19 " --> pdb=" O LEUH3 15 " (cutoff:3.500A) Processing helix chain 'H4' and resid 1 through 19 Processing helix chain 'H5' and resid 2 through 19 Processing helix chain 'H6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSH6 6 " --> pdb=" O GLUH6 2 " (cutoff:3.500A) Processing helix chain 'H7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUH7 7 " --> pdb=" O PHEH7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSH7 17 " --> pdb=" O ASPH7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEH7 18 " --> pdb=" O LEUH7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUH7 19 " --> pdb=" O LEUH7 15 " (cutoff:3.500A) Processing helix chain 'H8' and resid 1 through 19 Processing helix chain 'H9' and resid 2 through 19 Processing helix chain 'IA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSIA 6 " --> pdb=" O GLUIA 2 " (cutoff:3.500A) Processing helix chain 'IB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUIB 7 " --> pdb=" O PHEIB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSIB 17 " --> pdb=" O ASPIB 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEIB 18 " --> pdb=" O LEUIB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUIB 19 " --> pdb=" O LEUIB 15 " (cutoff:3.500A) Processing helix chain 'IC' and resid 1 through 19 Processing helix chain 'ID' and resid 2 through 19 Processing helix chain 'IE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSIE 6 " --> pdb=" O GLUIE 2 " (cutoff:3.500A) Processing helix chain 'IF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUIF 7 " --> pdb=" O PHEIF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSIF 17 " --> pdb=" O ASPIF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEIF 18 " --> pdb=" O LEUIF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUIF 19 " --> pdb=" O LEUIF 15 " (cutoff:3.500A) Processing helix chain 'IG' and resid 1 through 19 Processing helix chain 'IH' and resid 2 through 19 Processing helix chain 'II' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSII 6 " --> pdb=" O GLUII 2 " (cutoff:3.500A) Processing helix chain 'IJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUIJ 7 " --> pdb=" O PHEIJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSIJ 17 " --> pdb=" O ASPIJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEIJ 18 " --> pdb=" O LEUIJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUIJ 19 " --> pdb=" O LEUIJ 15 " (cutoff:3.500A) Processing helix chain 'IK' and resid 1 through 19 Processing helix chain 'IL' and resid 2 through 19 Processing helix chain 'IM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSIM 6 " --> pdb=" O GLUIM 2 " (cutoff:3.500A) Processing helix chain 'IN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUIN 7 " --> pdb=" O PHEIN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSIN 17 " --> pdb=" O ASPIN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEIN 18 " --> pdb=" O LEUIN 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUIN 19 " --> pdb=" O LEUIN 15 " (cutoff:3.500A) Processing helix chain 'IO' and resid 1 through 19 Processing helix chain 'IP' and resid 2 through 19 Processing helix chain 'IQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSIQ 6 " --> pdb=" O GLUIQ 2 " (cutoff:3.500A) Processing helix chain 'IR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUIR 7 " --> pdb=" O PHEIR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSIR 17 " --> pdb=" O ASPIR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEIR 18 " --> pdb=" O LEUIR 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUIR 19 " --> pdb=" O LEUIR 15 " (cutoff:3.500A) Processing helix chain 'IS' and resid 1 through 19 Processing helix chain 'IT' and resid 2 through 19 Processing helix chain 'IU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSIU 6 " --> pdb=" O GLUIU 2 " (cutoff:3.500A) Processing helix chain 'IV' and resid 2 through 19 removed outlier: 3.583A pdb=" N LEUIV 7 " --> pdb=" O PHEIV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSIV 17 " --> pdb=" O ASPIV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEIV 18 " --> pdb=" O LEUIV 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUIV 19 " --> pdb=" O LEUIV 15 " (cutoff:3.500A) Processing helix chain 'IW' and resid 1 through 19 Processing helix chain 'IX' and resid 2 through 19 Processing helix chain 'IY' and resid 2 through 19 removed outlier: 3.750A pdb=" N LYSIY 6 " --> pdb=" O GLUIY 2 " (cutoff:3.500A) Processing helix chain 'IZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUIZ 7 " --> pdb=" O PHEIZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSIZ 17 " --> pdb=" O ASPIZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEIZ 18 " --> pdb=" O LEUIZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUIZ 19 " --> pdb=" O LEUIZ 15 " (cutoff:3.500A) Processing helix chain 'I0' and resid 1 through 19 Processing helix chain 'I1' and resid 2 through 19 Processing helix chain 'I2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSI2 6 " --> pdb=" O GLUI2 2 " (cutoff:3.500A) Processing helix chain 'I3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUI3 7 " --> pdb=" O PHEI3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSI3 17 " --> pdb=" O ASPI3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEI3 18 " --> pdb=" O LEUI3 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUI3 19 " --> pdb=" O LEUI3 15 " (cutoff:3.500A) Processing helix chain 'I4' and resid 1 through 19 Processing helix chain 'I5' and resid 2 through 19 Processing helix chain 'I6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSI6 6 " --> pdb=" O GLUI6 2 " (cutoff:3.500A) Processing helix chain 'I7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUI7 7 " --> pdb=" O PHEI7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSI7 17 " --> pdb=" O ASPI7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEI7 18 " --> pdb=" O LEUI7 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUI7 19 " --> pdb=" O LEUI7 15 " (cutoff:3.500A) Processing helix chain 'I8' and resid 1 through 19 Processing helix chain 'I9' and resid 2 through 19 Processing helix chain 'JA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSJA 6 " --> pdb=" O GLUJA 2 " (cutoff:3.500A) Processing helix chain 'JB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUJB 7 " --> pdb=" O PHEJB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSJB 17 " --> pdb=" O ASPJB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEJB 18 " --> pdb=" O LEUJB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUJB 19 " --> pdb=" O LEUJB 15 " (cutoff:3.500A) Processing helix chain 'JC' and resid 1 through 19 Processing helix chain 'JD' and resid 2 through 19 Processing helix chain 'JE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSJE 6 " --> pdb=" O GLUJE 2 " (cutoff:3.500A) Processing helix chain 'JF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUJF 7 " --> pdb=" O PHEJF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSJF 17 " --> pdb=" O ASPJF 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEJF 18 " --> pdb=" O LEUJF 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUJF 19 " --> pdb=" O LEUJF 15 " (cutoff:3.500A) Processing helix chain 'JG' and resid 1 through 19 Processing helix chain 'JH' and resid 2 through 19 Processing helix chain 'JI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSJI 6 " --> pdb=" O GLUJI 2 " (cutoff:3.500A) Processing helix chain 'JJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUJJ 7 " --> pdb=" O PHEJJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSJJ 17 " --> pdb=" O ASPJJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEJJ 18 " --> pdb=" O LEUJJ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUJJ 19 " --> pdb=" O LEUJJ 15 " (cutoff:3.500A) Processing helix chain 'JK' and resid 1 through 19 Processing helix chain 'JL' and resid 2 through 19 Processing helix chain 'JM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSJM 6 " --> pdb=" O GLUJM 2 " (cutoff:3.500A) Processing helix chain 'JN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUJN 7 " --> pdb=" O PHEJN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSJN 17 " --> pdb=" O ASPJN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEJN 18 " --> pdb=" O LEUJN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUJN 19 " --> pdb=" O LEUJN 15 " (cutoff:3.500A) Processing helix chain 'JO' and resid 1 through 19 Processing helix chain 'JP' and resid 2 through 19 Processing helix chain 'JQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSJQ 6 " --> pdb=" O GLUJQ 2 " (cutoff:3.500A) Processing helix chain 'JR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUJR 7 " --> pdb=" O PHEJR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSJR 17 " --> pdb=" O ASPJR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEJR 18 " --> pdb=" O LEUJR 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUJR 19 " --> pdb=" O LEUJR 15 " (cutoff:3.500A) Processing helix chain 'JS' and resid 1 through 19 Processing helix chain 'JT' and resid 2 through 19 Processing helix chain 'JU' and resid 2 through 19 removed outlier: 3.750A pdb=" N LYSJU 6 " --> pdb=" O GLUJU 2 " (cutoff:3.500A) Processing helix chain 'JV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUJV 7 " --> pdb=" O PHEJV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSJV 17 " --> pdb=" O ASPJV 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEJV 18 " --> pdb=" O LEUJV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUJV 19 " --> pdb=" O LEUJV 15 " (cutoff:3.500A) Processing helix chain 'JW' and resid 1 through 19 Processing helix chain 'JX' and resid 2 through 19 Processing helix chain 'JY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSJY 6 " --> pdb=" O GLUJY 2 " (cutoff:3.500A) Processing helix chain 'JZ' and resid 2 through 19 removed outlier: 3.583A pdb=" N LEUJZ 7 " --> pdb=" O PHEJZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSJZ 17 " --> pdb=" O ASPJZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEJZ 18 " --> pdb=" O LEUJZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUJZ 19 " --> pdb=" O LEUJZ 15 " (cutoff:3.500A) Processing helix chain 'J0' and resid 1 through 19 Processing helix chain 'J1' and resid 2 through 19 Processing helix chain 'J2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSJ2 6 " --> pdb=" O GLUJ2 2 " (cutoff:3.500A) Processing helix chain 'J3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUJ3 7 " --> pdb=" O PHEJ3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSJ3 17 " --> pdb=" O ASPJ3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEJ3 18 " --> pdb=" O LEUJ3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUJ3 19 " --> pdb=" O LEUJ3 15 " (cutoff:3.500A) Processing helix chain 'J4' and resid 1 through 19 Processing helix chain 'J5' and resid 2 through 19 Processing helix chain 'J6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSJ6 6 " --> pdb=" O GLUJ6 2 " (cutoff:3.500A) Processing helix chain 'J7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUJ7 7 " --> pdb=" O PHEJ7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSJ7 17 " --> pdb=" O ASPJ7 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEJ7 18 " --> pdb=" O LEUJ7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUJ7 19 " --> pdb=" O LEUJ7 15 " (cutoff:3.500A) Processing helix chain 'J8' and resid 1 through 19 Processing helix chain 'J9' and resid 2 through 19 Processing helix chain 'KA' and resid 2 through 19 removed outlier: 3.750A pdb=" N LYSKA 6 " --> pdb=" O GLUKA 2 " (cutoff:3.500A) Processing helix chain 'KB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUKB 7 " --> pdb=" O PHEKB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSKB 17 " --> pdb=" O ASPKB 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEKB 18 " --> pdb=" O LEUKB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUKB 19 " --> pdb=" O LEUKB 15 " (cutoff:3.500A) Processing helix chain 'KC' and resid 1 through 19 Processing helix chain 'KD' and resid 2 through 19 Processing helix chain 'KE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSKE 6 " --> pdb=" O GLUKE 2 " (cutoff:3.500A) Processing helix chain 'KF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUKF 7 " --> pdb=" O PHEKF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSKF 17 " --> pdb=" O ASPKF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEKF 18 " --> pdb=" O LEUKF 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUKF 19 " --> pdb=" O LEUKF 15 " (cutoff:3.500A) Processing helix chain 'KG' and resid 1 through 19 Processing helix chain 'KH' and resid 2 through 19 Processing helix chain 'KI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSKI 6 " --> pdb=" O GLUKI 2 " (cutoff:3.500A) Processing helix chain 'KJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUKJ 7 " --> pdb=" O PHEKJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSKJ 17 " --> pdb=" O ASPKJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEKJ 18 " --> pdb=" O LEUKJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUKJ 19 " --> pdb=" O LEUKJ 15 " (cutoff:3.500A) Processing helix chain 'KK' and resid 1 through 19 Processing helix chain 'KL' and resid 2 through 19 Processing helix chain 'KM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSKM 6 " --> pdb=" O GLUKM 2 " (cutoff:3.500A) Processing helix chain 'KN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUKN 7 " --> pdb=" O PHEKN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSKN 17 " --> pdb=" O ASPKN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEKN 18 " --> pdb=" O LEUKN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUKN 19 " --> pdb=" O LEUKN 15 " (cutoff:3.500A) Processing helix chain 'KO' and resid 1 through 19 Processing helix chain 'KP' and resid 2 through 19 Processing helix chain 'KQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSKQ 6 " --> pdb=" O GLUKQ 2 " (cutoff:3.500A) Processing helix chain 'KR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUKR 7 " --> pdb=" O PHEKR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSKR 17 " --> pdb=" O ASPKR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEKR 18 " --> pdb=" O LEUKR 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUKR 19 " --> pdb=" O LEUKR 15 " (cutoff:3.500A) Processing helix chain 'KS' and resid 1 through 19 Processing helix chain 'KT' and resid 2 through 19 Processing helix chain 'KU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSKU 6 " --> pdb=" O GLUKU 2 " (cutoff:3.500A) Processing helix chain 'KV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUKV 7 " --> pdb=" O PHEKV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSKV 17 " --> pdb=" O ASPKV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEKV 18 " --> pdb=" O LEUKV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUKV 19 " --> pdb=" O LEUKV 15 " (cutoff:3.500A) Processing helix chain 'KW' and resid 1 through 19 Processing helix chain 'KX' and resid 2 through 19 Processing helix chain 'KY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSKY 6 " --> pdb=" O GLUKY 2 " (cutoff:3.500A) Processing helix chain 'KZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUKZ 7 " --> pdb=" O PHEKZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSKZ 17 " --> pdb=" O ASPKZ 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEKZ 18 " --> pdb=" O LEUKZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUKZ 19 " --> pdb=" O LEUKZ 15 " (cutoff:3.500A) Processing helix chain 'K0' and resid 1 through 19 Processing helix chain 'K1' and resid 2 through 19 Processing helix chain 'K2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSK2 6 " --> pdb=" O GLUK2 2 " (cutoff:3.500A) Processing helix chain 'K3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUK3 7 " --> pdb=" O PHEK3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSK3 17 " --> pdb=" O ASPK3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEK3 18 " --> pdb=" O LEUK3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUK3 19 " --> pdb=" O LEUK3 15 " (cutoff:3.500A) Processing helix chain 'K4' and resid 1 through 19 Processing helix chain 'K5' and resid 2 through 19 Processing helix chain 'K6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSK6 6 " --> pdb=" O GLUK6 2 " (cutoff:3.500A) Processing helix chain 'K7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUK7 7 " --> pdb=" O PHEK7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSK7 17 " --> pdb=" O ASPK7 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEK7 18 " --> pdb=" O LEUK7 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUK7 19 " --> pdb=" O LEUK7 15 " (cutoff:3.500A) Processing helix chain 'K8' and resid 1 through 19 Processing helix chain 'K9' and resid 2 through 19 Processing helix chain 'LA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSLA 6 " --> pdb=" O GLULA 2 " (cutoff:3.500A) Processing helix chain 'LB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEULB 7 " --> pdb=" O PHELB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSLB 17 " --> pdb=" O ASPLB 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHELB 18 " --> pdb=" O LEULB 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEULB 19 " --> pdb=" O LEULB 15 " (cutoff:3.500A) Processing helix chain 'LC' and resid 1 through 19 Processing helix chain 'LD' and resid 2 through 19 Processing helix chain 'LE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSLE 6 " --> pdb=" O GLULE 2 " (cutoff:3.500A) Processing helix chain 'LF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEULF 7 " --> pdb=" O PHELF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSLF 17 " --> pdb=" O ASPLF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHELF 18 " --> pdb=" O LEULF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEULF 19 " --> pdb=" O LEULF 15 " (cutoff:3.500A) Processing helix chain 'LG' and resid 1 through 19 Processing helix chain 'LH' and resid 2 through 19 Processing helix chain 'LI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSLI 6 " --> pdb=" O GLULI 2 " (cutoff:3.500A) Processing helix chain 'LJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEULJ 7 " --> pdb=" O PHELJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSLJ 17 " --> pdb=" O ASPLJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHELJ 18 " --> pdb=" O LEULJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEULJ 19 " --> pdb=" O LEULJ 15 " (cutoff:3.500A) Processing helix chain 'LK' and resid 1 through 19 Processing helix chain 'LL' and resid 2 through 19 Processing helix chain 'LM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSLM 6 " --> pdb=" O GLULM 2 " (cutoff:3.500A) Processing helix chain 'LN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEULN 7 " --> pdb=" O PHELN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSLN 17 " --> pdb=" O ASPLN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHELN 18 " --> pdb=" O LEULN 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEULN 19 " --> pdb=" O LEULN 15 " (cutoff:3.500A) Processing helix chain 'LO' and resid 1 through 19 Processing helix chain 'LP' and resid 2 through 19 Processing helix chain 'LQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSLQ 6 " --> pdb=" O GLULQ 2 " (cutoff:3.500A) Processing helix chain 'LR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEULR 7 " --> pdb=" O PHELR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSLR 17 " --> pdb=" O ASPLR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHELR 18 " --> pdb=" O LEULR 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEULR 19 " --> pdb=" O LEULR 15 " (cutoff:3.500A) Processing helix chain 'LS' and resid 1 through 19 Processing helix chain 'LT' and resid 2 through 19 Processing helix chain 'LU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSLU 6 " --> pdb=" O GLULU 2 " (cutoff:3.500A) Processing helix chain 'LV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEULV 7 " --> pdb=" O PHELV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSLV 17 " --> pdb=" O ASPLV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHELV 18 " --> pdb=" O LEULV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEULV 19 " --> pdb=" O LEULV 15 " (cutoff:3.500A) Processing helix chain 'LW' and resid 1 through 19 Processing helix chain 'LX' and resid 2 through 19 Processing helix chain 'LY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSLY 6 " --> pdb=" O GLULY 2 " (cutoff:3.500A) Processing helix chain 'LZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEULZ 7 " --> pdb=" O PHELZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSLZ 17 " --> pdb=" O ASPLZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHELZ 18 " --> pdb=" O LEULZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEULZ 19 " --> pdb=" O LEULZ 15 " (cutoff:3.500A) Processing helix chain 'L0' and resid 1 through 19 Processing helix chain 'L1' and resid 2 through 19 Processing helix chain 'L2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSL2 6 " --> pdb=" O GLUL2 2 " (cutoff:3.500A) Processing helix chain 'L3' and resid 2 through 19 removed outlier: 3.585A pdb=" N LEUL3 7 " --> pdb=" O PHEL3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSL3 17 " --> pdb=" O ASPL3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEL3 18 " --> pdb=" O LEUL3 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUL3 19 " --> pdb=" O LEUL3 15 " (cutoff:3.500A) Processing helix chain 'L4' and resid 1 through 19 Processing helix chain 'L5' and resid 2 through 19 Processing helix chain 'L6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSL6 6 " --> pdb=" O GLUL6 2 " (cutoff:3.500A) Processing helix chain 'L7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUL7 7 " --> pdb=" O PHEL7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSL7 17 " --> pdb=" O ASPL7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEL7 18 " --> pdb=" O LEUL7 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUL7 19 " --> pdb=" O LEUL7 15 " (cutoff:3.500A) Processing helix chain 'L8' and resid 1 through 19 Processing helix chain 'L9' and resid 2 through 19 Processing helix chain 'MA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSMA 6 " --> pdb=" O GLUMA 2 " (cutoff:3.500A) Processing helix chain 'MB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUMB 7 " --> pdb=" O PHEMB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSMB 17 " --> pdb=" O ASPMB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEMB 18 " --> pdb=" O LEUMB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUMB 19 " --> pdb=" O LEUMB 15 " (cutoff:3.500A) Processing helix chain 'MC' and resid 1 through 19 Processing helix chain 'MD' and resid 2 through 19 Processing helix chain 'ME' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSME 6 " --> pdb=" O GLUME 2 " (cutoff:3.500A) Processing helix chain 'MF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUMF 7 " --> pdb=" O PHEMF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSMF 17 " --> pdb=" O ASPMF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEMF 18 " --> pdb=" O LEUMF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUMF 19 " --> pdb=" O LEUMF 15 " (cutoff:3.500A) Processing helix chain 'MG' and resid 1 through 19 Processing helix chain 'MH' and resid 2 through 19 Processing helix chain 'MI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSMI 6 " --> pdb=" O GLUMI 2 " (cutoff:3.500A) Processing helix chain 'MJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUMJ 7 " --> pdb=" O PHEMJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSMJ 17 " --> pdb=" O ASPMJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEMJ 18 " --> pdb=" O LEUMJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUMJ 19 " --> pdb=" O LEUMJ 15 " (cutoff:3.500A) Processing helix chain 'MK' and resid 1 through 19 Processing helix chain 'ML' and resid 2 through 19 Processing helix chain 'MM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSMM 6 " --> pdb=" O GLUMM 2 " (cutoff:3.500A) Processing helix chain 'MN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUMN 7 " --> pdb=" O PHEMN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSMN 17 " --> pdb=" O ASPMN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEMN 18 " --> pdb=" O LEUMN 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUMN 19 " --> pdb=" O LEUMN 15 " (cutoff:3.500A) Processing helix chain 'MO' and resid 1 through 19 Processing helix chain 'MP' and resid 2 through 19 Processing helix chain 'MQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSMQ 6 " --> pdb=" O GLUMQ 2 " (cutoff:3.500A) Processing helix chain 'MR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUMR 7 " --> pdb=" O PHEMR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSMR 17 " --> pdb=" O ASPMR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEMR 18 " --> pdb=" O LEUMR 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUMR 19 " --> pdb=" O LEUMR 15 " (cutoff:3.500A) Processing helix chain 'MS' and resid 1 through 19 Processing helix chain 'MT' and resid 2 through 19 Processing helix chain 'MU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSMU 6 " --> pdb=" O GLUMU 2 " (cutoff:3.500A) Processing helix chain 'MV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUMV 7 " --> pdb=" O PHEMV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSMV 17 " --> pdb=" O ASPMV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEMV 18 " --> pdb=" O LEUMV 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUMV 19 " --> pdb=" O LEUMV 15 " (cutoff:3.500A) Processing helix chain 'MW' and resid 1 through 19 Processing helix chain 'MX' and resid 2 through 19 Processing helix chain 'MY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSMY 6 " --> pdb=" O GLUMY 2 " (cutoff:3.500A) Processing helix chain 'MZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUMZ 7 " --> pdb=" O PHEMZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSMZ 17 " --> pdb=" O ASPMZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEMZ 18 " --> pdb=" O LEUMZ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUMZ 19 " --> pdb=" O LEUMZ 15 " (cutoff:3.500A) Processing helix chain 'M0' and resid 1 through 19 Processing helix chain 'M1' and resid 2 through 19 Processing helix chain 'M2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSM2 6 " --> pdb=" O GLUM2 2 " (cutoff:3.500A) Processing helix chain 'M3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUM3 7 " --> pdb=" O PHEM3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSM3 17 " --> pdb=" O ASPM3 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEM3 18 " --> pdb=" O LEUM3 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUM3 19 " --> pdb=" O LEUM3 15 " (cutoff:3.500A) Processing helix chain 'M4' and resid 1 through 19 Processing helix chain 'M5' and resid 2 through 19 Processing helix chain 'M6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSM6 6 " --> pdb=" O GLUM6 2 " (cutoff:3.500A) Processing helix chain 'M7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUM7 7 " --> pdb=" O PHEM7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSM7 17 " --> pdb=" O ASPM7 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEM7 18 " --> pdb=" O LEUM7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUM7 19 " --> pdb=" O LEUM7 15 " (cutoff:3.500A) Processing helix chain 'M8' and resid 1 through 19 Processing helix chain 'M9' and resid 2 through 19 Processing helix chain 'NA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSNA 6 " --> pdb=" O GLUNA 2 " (cutoff:3.500A) Processing helix chain 'NB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUNB 7 " --> pdb=" O PHENB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSNB 17 " --> pdb=" O ASPNB 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHENB 18 " --> pdb=" O LEUNB 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUNB 19 " --> pdb=" O LEUNB 15 " (cutoff:3.500A) Processing helix chain 'NC' and resid 1 through 19 Processing helix chain 'ND' and resid 2 through 19 Processing helix chain 'NE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSNE 6 " --> pdb=" O GLUNE 2 " (cutoff:3.500A) Processing helix chain 'NF' and resid 2 through 19 removed outlier: 3.585A pdb=" N LEUNF 7 " --> pdb=" O PHENF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSNF 17 " --> pdb=" O ASPNF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHENF 18 " --> pdb=" O LEUNF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUNF 19 " --> pdb=" O LEUNF 15 " (cutoff:3.500A) Processing helix chain 'NG' and resid 1 through 19 Processing helix chain 'NH' and resid 2 through 19 Processing helix chain 'NI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSNI 6 " --> pdb=" O GLUNI 2 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUNJ 7 " --> pdb=" O PHENJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSNJ 17 " --> pdb=" O ASPNJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHENJ 18 " --> pdb=" O LEUNJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUNJ 19 " --> pdb=" O LEUNJ 15 " (cutoff:3.500A) Processing helix chain 'NK' and resid 1 through 19 Processing helix chain 'NL' and resid 2 through 19 Processing helix chain 'NM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSNM 6 " --> pdb=" O GLUNM 2 " (cutoff:3.500A) Processing helix chain 'NN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUNN 7 " --> pdb=" O PHENN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSNN 17 " --> pdb=" O ASPNN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHENN 18 " --> pdb=" O LEUNN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUNN 19 " --> pdb=" O LEUNN 15 " (cutoff:3.500A) Processing helix chain 'NO' and resid 1 through 19 Processing helix chain 'NP' and resid 2 through 19 Processing helix chain 'NQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSNQ 6 " --> pdb=" O GLUNQ 2 " (cutoff:3.500A) Processing helix chain 'NR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUNR 7 " --> pdb=" O PHENR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSNR 17 " --> pdb=" O ASPNR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHENR 18 " --> pdb=" O LEUNR 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUNR 19 " --> pdb=" O LEUNR 15 " (cutoff:3.500A) Processing helix chain 'NS' and resid 1 through 19 Processing helix chain 'NT' and resid 2 through 19 Processing helix chain 'NU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSNU 6 " --> pdb=" O GLUNU 2 " (cutoff:3.500A) Processing helix chain 'NV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUNV 7 " --> pdb=" O PHENV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSNV 17 " --> pdb=" O ASPNV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHENV 18 " --> pdb=" O LEUNV 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUNV 19 " --> pdb=" O LEUNV 15 " (cutoff:3.500A) Processing helix chain 'NW' and resid 1 through 19 Processing helix chain 'NX' and resid 2 through 19 Processing helix chain 'NY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSNY 6 " --> pdb=" O GLUNY 2 " (cutoff:3.500A) Processing helix chain 'NZ' and resid 2 through 19 removed outlier: 3.585A pdb=" N LEUNZ 7 " --> pdb=" O PHENZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSNZ 17 " --> pdb=" O ASPNZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHENZ 18 " --> pdb=" O LEUNZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUNZ 19 " --> pdb=" O LEUNZ 15 " (cutoff:3.500A) Processing helix chain 'N0' and resid 1 through 19 Processing helix chain 'N1' and resid 2 through 19 Processing helix chain 'N2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSN2 6 " --> pdb=" O GLUN2 2 " (cutoff:3.500A) Processing helix chain 'N3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUN3 7 " --> pdb=" O PHEN3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSN3 17 " --> pdb=" O ASPN3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEN3 18 " --> pdb=" O LEUN3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUN3 19 " --> pdb=" O LEUN3 15 " (cutoff:3.500A) Processing helix chain 'N4' and resid 1 through 19 Processing helix chain 'N5' and resid 2 through 19 Processing helix chain 'N6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSN6 6 " --> pdb=" O GLUN6 2 " (cutoff:3.500A) Processing helix chain 'N7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUN7 7 " --> pdb=" O PHEN7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSN7 17 " --> pdb=" O ASPN7 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEN7 18 " --> pdb=" O LEUN7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUN7 19 " --> pdb=" O LEUN7 15 " (cutoff:3.500A) Processing helix chain 'N8' and resid 1 through 19 Processing helix chain 'N9' and resid 2 through 19 Processing helix chain 'OA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSOA 6 " --> pdb=" O GLUOA 2 " (cutoff:3.500A) Processing helix chain 'OB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUOB 7 " --> pdb=" O PHEOB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSOB 17 " --> pdb=" O ASPOB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEOB 18 " --> pdb=" O LEUOB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUOB 19 " --> pdb=" O LEUOB 15 " (cutoff:3.500A) Processing helix chain 'OC' and resid 1 through 19 Processing helix chain 'OD' and resid 2 through 19 Processing helix chain 'OE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSOE 6 " --> pdb=" O GLUOE 2 " (cutoff:3.500A) Processing helix chain 'OF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUOF 7 " --> pdb=" O PHEOF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSOF 17 " --> pdb=" O ASPOF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEOF 18 " --> pdb=" O LEUOF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUOF 19 " --> pdb=" O LEUOF 15 " (cutoff:3.500A) Processing helix chain 'OG' and resid 1 through 19 Processing helix chain 'OH' and resid 2 through 19 Processing helix chain 'OI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSOI 6 " --> pdb=" O GLUOI 2 " (cutoff:3.500A) Processing helix chain 'OJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUOJ 7 " --> pdb=" O PHEOJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSOJ 17 " --> pdb=" O ASPOJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEOJ 18 " --> pdb=" O LEUOJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUOJ 19 " --> pdb=" O LEUOJ 15 " (cutoff:3.500A) Processing helix chain 'OK' and resid 1 through 19 Processing helix chain 'OL' and resid 2 through 19 Processing helix chain 'OM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSOM 6 " --> pdb=" O GLUOM 2 " (cutoff:3.500A) Processing helix chain 'ON' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUON 7 " --> pdb=" O PHEON 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSON 17 " --> pdb=" O ASPON 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEON 18 " --> pdb=" O LEUON 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUON 19 " --> pdb=" O LEUON 15 " (cutoff:3.500A) Processing helix chain 'OO' and resid 1 through 19 Processing helix chain 'OP' and resid 2 through 19 Processing helix chain 'OQ' and resid 2 through 19 removed outlier: 3.748A pdb=" N LYSOQ 6 " --> pdb=" O GLUOQ 2 " (cutoff:3.500A) Processing helix chain 'OR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUOR 7 " --> pdb=" O PHEOR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSOR 17 " --> pdb=" O ASPOR 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEOR 18 " --> pdb=" O LEUOR 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUOR 19 " --> pdb=" O LEUOR 15 " (cutoff:3.500A) Processing helix chain 'OS' and resid 1 through 19 Processing helix chain 'OT' and resid 2 through 19 Processing helix chain 'OU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSOU 6 " --> pdb=" O GLUOU 2 " (cutoff:3.500A) Processing helix chain 'OV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUOV 7 " --> pdb=" O PHEOV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSOV 17 " --> pdb=" O ASPOV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEOV 18 " --> pdb=" O LEUOV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUOV 19 " --> pdb=" O LEUOV 15 " (cutoff:3.500A) Processing helix chain 'OW' and resid 1 through 19 Processing helix chain 'OX' and resid 2 through 19 Processing helix chain 'OY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSOY 6 " --> pdb=" O GLUOY 2 " (cutoff:3.500A) Processing helix chain 'OZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUOZ 7 " --> pdb=" O PHEOZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSOZ 17 " --> pdb=" O ASPOZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEOZ 18 " --> pdb=" O LEUOZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUOZ 19 " --> pdb=" O LEUOZ 15 " (cutoff:3.500A) Processing helix chain 'O0' and resid 1 through 19 Processing helix chain 'O1' and resid 2 through 19 Processing helix chain 'O2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSO2 6 " --> pdb=" O GLUO2 2 " (cutoff:3.500A) Processing helix chain 'O3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUO3 7 " --> pdb=" O PHEO3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSO3 17 " --> pdb=" O ASPO3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEO3 18 " --> pdb=" O LEUO3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUO3 19 " --> pdb=" O LEUO3 15 " (cutoff:3.500A) Processing helix chain 'O4' and resid 1 through 19 Processing helix chain 'O5' and resid 2 through 19 Processing helix chain 'O6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSO6 6 " --> pdb=" O GLUO6 2 " (cutoff:3.500A) Processing helix chain 'O7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUO7 7 " --> pdb=" O PHEO7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSO7 17 " --> pdb=" O ASPO7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEO7 18 " --> pdb=" O LEUO7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUO7 19 " --> pdb=" O LEUO7 15 " (cutoff:3.500A) Processing helix chain 'O8' and resid 1 through 19 Processing helix chain 'O9' and resid 2 through 19 Processing helix chain 'PA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSPA 6 " --> pdb=" O GLUPA 2 " (cutoff:3.500A) Processing helix chain 'PB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUPB 7 " --> pdb=" O PHEPB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSPB 17 " --> pdb=" O ASPPB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEPB 18 " --> pdb=" O LEUPB 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUPB 19 " --> pdb=" O LEUPB 15 " (cutoff:3.500A) Processing helix chain 'PC' and resid 1 through 19 Processing helix chain 'PD' and resid 2 through 19 Processing helix chain 'PE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSPE 6 " --> pdb=" O GLUPE 2 " (cutoff:3.500A) Processing helix chain 'PF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUPF 7 " --> pdb=" O PHEPF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSPF 17 " --> pdb=" O ASPPF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEPF 18 " --> pdb=" O LEUPF 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUPF 19 " --> pdb=" O LEUPF 15 " (cutoff:3.500A) Processing helix chain 'PG' and resid 1 through 19 Processing helix chain 'PH' and resid 2 through 19 Processing helix chain 'PI' and resid 2 through 19 removed outlier: 3.748A pdb=" N LYSPI 6 " --> pdb=" O GLUPI 2 " (cutoff:3.500A) Processing helix chain 'PJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUPJ 7 " --> pdb=" O PHEPJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSPJ 17 " --> pdb=" O ASPPJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEPJ 18 " --> pdb=" O LEUPJ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUPJ 19 " --> pdb=" O LEUPJ 15 " (cutoff:3.500A) Processing helix chain 'PK' and resid 1 through 19 Processing helix chain 'PL' and resid 2 through 19 Processing helix chain 'PM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSPM 6 " --> pdb=" O GLUPM 2 " (cutoff:3.500A) Processing helix chain 'PN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUPN 7 " --> pdb=" O PHEPN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSPN 17 " --> pdb=" O ASPPN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEPN 18 " --> pdb=" O LEUPN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUPN 19 " --> pdb=" O LEUPN 15 " (cutoff:3.500A) Processing helix chain 'PO' and resid 1 through 19 Processing helix chain 'PP' and resid 2 through 19 Processing helix chain 'PQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSPQ 6 " --> pdb=" O GLUPQ 2 " (cutoff:3.500A) Processing helix chain 'PR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUPR 7 " --> pdb=" O PHEPR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSPR 17 " --> pdb=" O ASPPR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEPR 18 " --> pdb=" O LEUPR 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUPR 19 " --> pdb=" O LEUPR 15 " (cutoff:3.500A) Processing helix chain 'PS' and resid 1 through 19 Processing helix chain 'PT' and resid 2 through 19 Processing helix chain 'PU' and resid 2 through 19 removed outlier: 3.748A pdb=" N LYSPU 6 " --> pdb=" O GLUPU 2 " (cutoff:3.500A) Processing helix chain 'PV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUPV 7 " --> pdb=" O PHEPV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSPV 17 " --> pdb=" O ASPPV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEPV 18 " --> pdb=" O LEUPV 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUPV 19 " --> pdb=" O LEUPV 15 " (cutoff:3.500A) Processing helix chain 'PW' and resid 1 through 19 Processing helix chain 'PX' and resid 2 through 19 Processing helix chain 'PY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSPY 6 " --> pdb=" O GLUPY 2 " (cutoff:3.500A) Processing helix chain 'PZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUPZ 7 " --> pdb=" O PHEPZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSPZ 17 " --> pdb=" O ASPPZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEPZ 18 " --> pdb=" O LEUPZ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUPZ 19 " --> pdb=" O LEUPZ 15 " (cutoff:3.500A) Processing helix chain 'P0' and resid 1 through 19 Processing helix chain 'P1' and resid 2 through 19 Processing helix chain 'P2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSP2 6 " --> pdb=" O GLUP2 2 " (cutoff:3.500A) Processing helix chain 'P3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUP3 7 " --> pdb=" O PHEP3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSP3 17 " --> pdb=" O ASPP3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEP3 18 " --> pdb=" O LEUP3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUP3 19 " --> pdb=" O LEUP3 15 " (cutoff:3.500A) Processing helix chain 'P4' and resid 1 through 19 Processing helix chain 'P5' and resid 2 through 19 Processing helix chain 'P6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSP6 6 " --> pdb=" O GLUP6 2 " (cutoff:3.500A) Processing helix chain 'P7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUP7 7 " --> pdb=" O PHEP7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSP7 17 " --> pdb=" O ASPP7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEP7 18 " --> pdb=" O LEUP7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUP7 19 " --> pdb=" O LEUP7 15 " (cutoff:3.500A) Processing helix chain 'P8' and resid 1 through 19 Processing helix chain 'P9' and resid 2 through 19 Processing helix chain 'QA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSQA 6 " --> pdb=" O GLUQA 2 " (cutoff:3.500A) Processing helix chain 'QB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUQB 7 " --> pdb=" O PHEQB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSQB 17 " --> pdb=" O ASPQB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEQB 18 " --> pdb=" O LEUQB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUQB 19 " --> pdb=" O LEUQB 15 " (cutoff:3.500A) Processing helix chain 'QC' and resid 1 through 19 Processing helix chain 'QD' and resid 2 through 19 Processing helix chain 'QE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSQE 6 " --> pdb=" O GLUQE 2 " (cutoff:3.500A) Processing helix chain 'QF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUQF 7 " --> pdb=" O PHEQF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSQF 17 " --> pdb=" O ASPQF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEQF 18 " --> pdb=" O LEUQF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUQF 19 " --> pdb=" O LEUQF 15 " (cutoff:3.500A) Processing helix chain 'QG' and resid 1 through 19 Processing helix chain 'QH' and resid 2 through 19 Processing helix chain 'QI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSQI 6 " --> pdb=" O GLUQI 2 " (cutoff:3.500A) Processing helix chain 'QJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUQJ 7 " --> pdb=" O PHEQJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSQJ 17 " --> pdb=" O ASPQJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEQJ 18 " --> pdb=" O LEUQJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUQJ 19 " --> pdb=" O LEUQJ 15 " (cutoff:3.500A) Processing helix chain 'QK' and resid 1 through 19 Processing helix chain 'QL' and resid 2 through 19 Processing helix chain 'QM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSQM 6 " --> pdb=" O GLUQM 2 " (cutoff:3.500A) Processing helix chain 'QN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUQN 7 " --> pdb=" O PHEQN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSQN 17 " --> pdb=" O ASPQN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEQN 18 " --> pdb=" O LEUQN 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUQN 19 " --> pdb=" O LEUQN 15 " (cutoff:3.500A) Processing helix chain 'QO' and resid 1 through 19 Processing helix chain 'QP' and resid 2 through 19 Processing helix chain 'QQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSQQ 6 " --> pdb=" O GLUQQ 2 " (cutoff:3.500A) Processing helix chain 'QR' and resid 2 through 19 removed outlier: 3.585A pdb=" N LEUQR 7 " --> pdb=" O PHEQR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSQR 17 " --> pdb=" O ASPQR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEQR 18 " --> pdb=" O LEUQR 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUQR 19 " --> pdb=" O LEUQR 15 " (cutoff:3.500A) Processing helix chain 'QS' and resid 1 through 19 Processing helix chain 'QT' and resid 2 through 19 Processing helix chain 'QU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSQU 6 " --> pdb=" O GLUQU 2 " (cutoff:3.500A) Processing helix chain 'QV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUQV 7 " --> pdb=" O PHEQV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSQV 17 " --> pdb=" O ASPQV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEQV 18 " --> pdb=" O LEUQV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUQV 19 " --> pdb=" O LEUQV 15 " (cutoff:3.500A) Processing helix chain 'QW' and resid 1 through 19 Processing helix chain 'QX' and resid 2 through 19 Processing helix chain 'QY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSQY 6 " --> pdb=" O GLUQY 2 " (cutoff:3.500A) Processing helix chain 'QZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUQZ 7 " --> pdb=" O PHEQZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSQZ 17 " --> pdb=" O ASPQZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEQZ 18 " --> pdb=" O LEUQZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUQZ 19 " --> pdb=" O LEUQZ 15 " (cutoff:3.500A) Processing helix chain 'Q0' and resid 1 through 19 Processing helix chain 'Q1' and resid 2 through 19 Processing helix chain 'Q2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSQ2 6 " --> pdb=" O GLUQ2 2 " (cutoff:3.500A) Processing helix chain 'Q3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUQ3 7 " --> pdb=" O PHEQ3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSQ3 17 " --> pdb=" O ASPQ3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEQ3 18 " --> pdb=" O LEUQ3 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUQ3 19 " --> pdb=" O LEUQ3 15 " (cutoff:3.500A) Processing helix chain 'Q4' and resid 1 through 19 Processing helix chain 'Q5' and resid 2 through 19 Processing helix chain 'Q6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSQ6 6 " --> pdb=" O GLUQ6 2 " (cutoff:3.500A) Processing helix chain 'Q7' and resid 2 through 19 removed outlier: 3.585A pdb=" N LEUQ7 7 " --> pdb=" O PHEQ7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSQ7 17 " --> pdb=" O ASPQ7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEQ7 18 " --> pdb=" O LEUQ7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUQ7 19 " --> pdb=" O LEUQ7 15 " (cutoff:3.500A) Processing helix chain 'Q8' and resid 1 through 19 Processing helix chain 'Q9' and resid 2 through 19 Processing helix chain 'RA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSRA 6 " --> pdb=" O GLURA 2 " (cutoff:3.500A) Processing helix chain 'RB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEURB 7 " --> pdb=" O PHERB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSRB 17 " --> pdb=" O ASPRB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHERB 18 " --> pdb=" O LEURB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEURB 19 " --> pdb=" O LEURB 15 " (cutoff:3.500A) Processing helix chain 'RC' and resid 1 through 19 Processing helix chain 'RD' and resid 2 through 19 Processing helix chain 'RE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSRE 6 " --> pdb=" O GLURE 2 " (cutoff:3.500A) Processing helix chain 'RF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEURF 7 " --> pdb=" O PHERF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSRF 17 " --> pdb=" O ASPRF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHERF 18 " --> pdb=" O LEURF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEURF 19 " --> pdb=" O LEURF 15 " (cutoff:3.500A) Processing helix chain 'RG' and resid 1 through 19 Processing helix chain 'RH' and resid 2 through 19 Processing helix chain 'RI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSRI 6 " --> pdb=" O GLURI 2 " (cutoff:3.500A) Processing helix chain 'RJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEURJ 7 " --> pdb=" O PHERJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSRJ 17 " --> pdb=" O ASPRJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHERJ 18 " --> pdb=" O LEURJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEURJ 19 " --> pdb=" O LEURJ 15 " (cutoff:3.500A) Processing helix chain 'RK' and resid 1 through 19 Processing helix chain 'RL' and resid 2 through 19 Processing helix chain 'RM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSRM 6 " --> pdb=" O GLURM 2 " (cutoff:3.500A) Processing helix chain 'RN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEURN 7 " --> pdb=" O PHERN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSRN 17 " --> pdb=" O ASPRN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHERN 18 " --> pdb=" O LEURN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEURN 19 " --> pdb=" O LEURN 15 " (cutoff:3.500A) Processing helix chain 'RO' and resid 1 through 19 Processing helix chain 'RP' and resid 2 through 19 Processing helix chain 'RQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSRQ 6 " --> pdb=" O GLURQ 2 " (cutoff:3.500A) Processing helix chain 'RR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEURR 7 " --> pdb=" O PHERR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSRR 17 " --> pdb=" O ASPRR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHERR 18 " --> pdb=" O LEURR 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEURR 19 " --> pdb=" O LEURR 15 " (cutoff:3.500A) Processing helix chain 'RS' and resid 1 through 19 Processing helix chain 'RT' and resid 2 through 19 Processing helix chain 'RU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSRU 6 " --> pdb=" O GLURU 2 " (cutoff:3.500A) Processing helix chain 'RV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEURV 7 " --> pdb=" O PHERV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSRV 17 " --> pdb=" O ASPRV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHERV 18 " --> pdb=" O LEURV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEURV 19 " --> pdb=" O LEURV 15 " (cutoff:3.500A) Processing helix chain 'RW' and resid 1 through 19 Processing helix chain 'RX' and resid 2 through 19 Processing helix chain 'RY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSRY 6 " --> pdb=" O GLURY 2 " (cutoff:3.500A) Processing helix chain 'RZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEURZ 7 " --> pdb=" O PHERZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSRZ 17 " --> pdb=" O ASPRZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHERZ 18 " --> pdb=" O LEURZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEURZ 19 " --> pdb=" O LEURZ 15 " (cutoff:3.500A) Processing helix chain 'R0' and resid 1 through 19 Processing helix chain 'R1' and resid 2 through 19 Processing helix chain 'R2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSR2 6 " --> pdb=" O GLUR2 2 " (cutoff:3.500A) Processing helix chain 'R3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUR3 7 " --> pdb=" O PHER3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSR3 17 " --> pdb=" O ASPR3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHER3 18 " --> pdb=" O LEUR3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUR3 19 " --> pdb=" O LEUR3 15 " (cutoff:3.500A) Processing helix chain 'R4' and resid 1 through 19 Processing helix chain 'R5' and resid 2 through 19 Processing helix chain 'R6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSR6 6 " --> pdb=" O GLUR6 2 " (cutoff:3.500A) Processing helix chain 'R7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUR7 7 " --> pdb=" O PHER7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSR7 17 " --> pdb=" O ASPR7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHER7 18 " --> pdb=" O LEUR7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUR7 19 " --> pdb=" O LEUR7 15 " (cutoff:3.500A) Processing helix chain 'R8' and resid 1 through 19 Processing helix chain 'R9' and resid 2 through 19 Processing helix chain 'SA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSSA 6 " --> pdb=" O GLUSA 2 " (cutoff:3.500A) Processing helix chain 'SB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUSB 7 " --> pdb=" O PHESB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSSB 17 " --> pdb=" O ASPSB 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHESB 18 " --> pdb=" O LEUSB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUSB 19 " --> pdb=" O LEUSB 15 " (cutoff:3.500A) Processing helix chain 'SC' and resid 1 through 19 Processing helix chain 'SD' and resid 2 through 19 Processing helix chain 'SE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSSE 6 " --> pdb=" O GLUSE 2 " (cutoff:3.500A) Processing helix chain 'SF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUSF 7 " --> pdb=" O PHESF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSSF 17 " --> pdb=" O ASPSF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHESF 18 " --> pdb=" O LEUSF 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUSF 19 " --> pdb=" O LEUSF 15 " (cutoff:3.500A) Processing helix chain 'SG' and resid 1 through 19 Processing helix chain 'SH' and resid 2 through 19 Processing helix chain 'SI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSSI 6 " --> pdb=" O GLUSI 2 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUSJ 7 " --> pdb=" O PHESJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSSJ 17 " --> pdb=" O ASPSJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHESJ 18 " --> pdb=" O LEUSJ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUSJ 19 " --> pdb=" O LEUSJ 15 " (cutoff:3.500A) Processing helix chain 'SK' and resid 1 through 19 Processing helix chain 'SL' and resid 2 through 19 Processing helix chain 'SM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSSM 6 " --> pdb=" O GLUSM 2 " (cutoff:3.500A) Processing helix chain 'SN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUSN 7 " --> pdb=" O PHESN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSSN 17 " --> pdb=" O ASPSN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHESN 18 " --> pdb=" O LEUSN 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUSN 19 " --> pdb=" O LEUSN 15 " (cutoff:3.500A) Processing helix chain 'SO' and resid 1 through 19 Processing helix chain 'SP' and resid 2 through 19 Processing helix chain 'SQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSSQ 6 " --> pdb=" O GLUSQ 2 " (cutoff:3.500A) Processing helix chain 'SR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUSR 7 " --> pdb=" O PHESR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSSR 17 " --> pdb=" O ASPSR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHESR 18 " --> pdb=" O LEUSR 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUSR 19 " --> pdb=" O LEUSR 15 " (cutoff:3.500A) Processing helix chain 'SS' and resid 1 through 19 Processing helix chain 'ST' and resid 2 through 19 Processing helix chain 'SU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSSU 6 " --> pdb=" O GLUSU 2 " (cutoff:3.500A) Processing helix chain 'SV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUSV 7 " --> pdb=" O PHESV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSSV 17 " --> pdb=" O ASPSV 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHESV 18 " --> pdb=" O LEUSV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUSV 19 " --> pdb=" O LEUSV 15 " (cutoff:3.500A) Processing helix chain 'SW' and resid 1 through 19 Processing helix chain 'SX' and resid 2 through 19 Processing helix chain 'SY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSSY 6 " --> pdb=" O GLUSY 2 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUSZ 7 " --> pdb=" O PHESZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSSZ 17 " --> pdb=" O ASPSZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHESZ 18 " --> pdb=" O LEUSZ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUSZ 19 " --> pdb=" O LEUSZ 15 " (cutoff:3.500A) Processing helix chain 'S0' and resid 1 through 19 Processing helix chain 'S1' and resid 2 through 19 Processing helix chain 'S2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSS2 6 " --> pdb=" O GLUS2 2 " (cutoff:3.500A) Processing helix chain 'S3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUS3 7 " --> pdb=" O PHES3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSS3 17 " --> pdb=" O ASPS3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHES3 18 " --> pdb=" O LEUS3 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUS3 19 " --> pdb=" O LEUS3 15 " (cutoff:3.500A) Processing helix chain 'S4' and resid 1 through 19 Processing helix chain 'S5' and resid 2 through 19 Processing helix chain 'S6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSS6 6 " --> pdb=" O GLUS6 2 " (cutoff:3.500A) Processing helix chain 'S7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUS7 7 " --> pdb=" O PHES7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSS7 17 " --> pdb=" O ASPS7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHES7 18 " --> pdb=" O LEUS7 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUS7 19 " --> pdb=" O LEUS7 15 " (cutoff:3.500A) Processing helix chain 'S8' and resid 1 through 19 Processing helix chain 'S9' and resid 2 through 19 Processing helix chain 'TA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSTA 6 " --> pdb=" O GLUTA 2 " (cutoff:3.500A) Processing helix chain 'TB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUTB 7 " --> pdb=" O PHETB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSTB 17 " --> pdb=" O ASPTB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHETB 18 " --> pdb=" O LEUTB 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUTB 19 " --> pdb=" O LEUTB 15 " (cutoff:3.500A) Processing helix chain 'TC' and resid 1 through 19 Processing helix chain 'TD' and resid 2 through 19 Processing helix chain 'TE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSTE 6 " --> pdb=" O GLUTE 2 " (cutoff:3.500A) Processing helix chain 'TF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUTF 7 " --> pdb=" O PHETF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSTF 17 " --> pdb=" O ASPTF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHETF 18 " --> pdb=" O LEUTF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUTF 19 " --> pdb=" O LEUTF 15 " (cutoff:3.500A) Processing helix chain 'TG' and resid 1 through 19 Processing helix chain 'TH' and resid 2 through 19 Processing helix chain 'TI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSTI 6 " --> pdb=" O GLUTI 2 " (cutoff:3.500A) Processing helix chain 'TJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUTJ 7 " --> pdb=" O PHETJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSTJ 17 " --> pdb=" O ASPTJ 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHETJ 18 " --> pdb=" O LEUTJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUTJ 19 " --> pdb=" O LEUTJ 15 " (cutoff:3.500A) Processing helix chain 'TK' and resid 1 through 19 Processing helix chain 'TL' and resid 2 through 19 Processing helix chain 'TM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSTM 6 " --> pdb=" O GLUTM 2 " (cutoff:3.500A) Processing helix chain 'TN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUTN 7 " --> pdb=" O PHETN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSTN 17 " --> pdb=" O ASPTN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHETN 18 " --> pdb=" O LEUTN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUTN 19 " --> pdb=" O LEUTN 15 " (cutoff:3.500A) Processing helix chain 'TO' and resid 1 through 19 Processing helix chain 'TP' and resid 2 through 19 Processing helix chain 'TQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSTQ 6 " --> pdb=" O GLUTQ 2 " (cutoff:3.500A) Processing helix chain 'TR' and resid 2 through 19 removed outlier: 3.583A pdb=" N LEUTR 7 " --> pdb=" O PHETR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSTR 17 " --> pdb=" O ASPTR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHETR 18 " --> pdb=" O LEUTR 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUTR 19 " --> pdb=" O LEUTR 15 " (cutoff:3.500A) Processing helix chain 'TS' and resid 1 through 19 Processing helix chain 'TT' and resid 2 through 19 Processing helix chain 'TU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSTU 6 " --> pdb=" O GLUTU 2 " (cutoff:3.500A) Processing helix chain 'TV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUTV 7 " --> pdb=" O PHETV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSTV 17 " --> pdb=" O ASPTV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHETV 18 " --> pdb=" O LEUTV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUTV 19 " --> pdb=" O LEUTV 15 " (cutoff:3.500A) Processing helix chain 'TW' and resid 1 through 19 Processing helix chain 'TX' and resid 2 through 19 Processing helix chain 'TY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSTY 6 " --> pdb=" O GLUTY 2 " (cutoff:3.500A) Processing helix chain 'TZ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUTZ 7 " --> pdb=" O PHETZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSTZ 17 " --> pdb=" O ASPTZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHETZ 18 " --> pdb=" O LEUTZ 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUTZ 19 " --> pdb=" O LEUTZ 15 " (cutoff:3.500A) Processing helix chain 'T0' and resid 1 through 19 Processing helix chain 'T1' and resid 2 through 19 Processing helix chain 'T2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYST2 6 " --> pdb=" O GLUT2 2 " (cutoff:3.500A) Processing helix chain 'T3' and resid 2 through 19 removed outlier: 3.585A pdb=" N LEUT3 7 " --> pdb=" O PHET3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYST3 17 " --> pdb=" O ASPT3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHET3 18 " --> pdb=" O LEUT3 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUT3 19 " --> pdb=" O LEUT3 15 " (cutoff:3.500A) Processing helix chain 'T4' and resid 1 through 19 Processing helix chain 'T5' and resid 2 through 19 Processing helix chain 'T6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYST6 6 " --> pdb=" O GLUT6 2 " (cutoff:3.500A) Processing helix chain 'T7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUT7 7 " --> pdb=" O PHET7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYST7 17 " --> pdb=" O ASPT7 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHET7 18 " --> pdb=" O LEUT7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUT7 19 " --> pdb=" O LEUT7 15 " (cutoff:3.500A) Processing helix chain 'T8' and resid 1 through 19 Processing helix chain 'T9' and resid 2 through 19 Processing helix chain 'UA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSUA 6 " --> pdb=" O GLUUA 2 " (cutoff:3.500A) Processing helix chain 'UB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUUB 7 " --> pdb=" O PHEUB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSUB 17 " --> pdb=" O ASPUB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEUB 18 " --> pdb=" O LEUUB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUUB 19 " --> pdb=" O LEUUB 15 " (cutoff:3.500A) Processing helix chain 'UC' and resid 1 through 19 Processing helix chain 'UD' and resid 2 through 19 Processing helix chain 'UE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSUE 6 " --> pdb=" O GLUUE 2 " (cutoff:3.500A) Processing helix chain 'UF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUUF 7 " --> pdb=" O PHEUF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSUF 17 " --> pdb=" O ASPUF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEUF 18 " --> pdb=" O LEUUF 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUUF 19 " --> pdb=" O LEUUF 15 " (cutoff:3.500A) Processing helix chain 'UG' and resid 1 through 19 Processing helix chain 'UH' and resid 2 through 19 Processing helix chain 'UI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSUI 6 " --> pdb=" O GLUUI 2 " (cutoff:3.500A) Processing helix chain 'UJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUUJ 7 " --> pdb=" O PHEUJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSUJ 17 " --> pdb=" O ASPUJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEUJ 18 " --> pdb=" O LEUUJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUUJ 19 " --> pdb=" O LEUUJ 15 " (cutoff:3.500A) Processing helix chain 'UK' and resid 1 through 19 Processing helix chain 'UL' and resid 2 through 19 Processing helix chain 'UM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSUM 6 " --> pdb=" O GLUUM 2 " (cutoff:3.500A) Processing helix chain 'UN' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUUN 7 " --> pdb=" O PHEUN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSUN 17 " --> pdb=" O ASPUN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEUN 18 " --> pdb=" O LEUUN 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUUN 19 " --> pdb=" O LEUUN 15 " (cutoff:3.500A) Processing helix chain 'UO' and resid 1 through 19 Processing helix chain 'UP' and resid 2 through 19 Processing helix chain 'UQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSUQ 6 " --> pdb=" O GLUUQ 2 " (cutoff:3.500A) Processing helix chain 'UR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUUR 7 " --> pdb=" O PHEUR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSUR 17 " --> pdb=" O ASPUR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEUR 18 " --> pdb=" O LEUUR 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUUR 19 " --> pdb=" O LEUUR 15 " (cutoff:3.500A) Processing helix chain 'US' and resid 1 through 19 Processing helix chain 'UT' and resid 2 through 19 Processing helix chain 'UU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSUU 6 " --> pdb=" O GLUUU 2 " (cutoff:3.500A) Processing helix chain 'UV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUUV 7 " --> pdb=" O PHEUV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSUV 17 " --> pdb=" O ASPUV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEUV 18 " --> pdb=" O LEUUV 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUUV 19 " --> pdb=" O LEUUV 15 " (cutoff:3.500A) Processing helix chain 'UW' and resid 1 through 19 Processing helix chain 'UX' and resid 2 through 19 Processing helix chain 'UY' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSUY 6 " --> pdb=" O GLUUY 2 " (cutoff:3.500A) Processing helix chain 'UZ' and resid 2 through 19 removed outlier: 3.585A pdb=" N LEUUZ 7 " --> pdb=" O PHEUZ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSUZ 17 " --> pdb=" O ASPUZ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEUZ 18 " --> pdb=" O LEUUZ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUUZ 19 " --> pdb=" O LEUUZ 15 " (cutoff:3.500A) Processing helix chain 'U0' and resid 1 through 19 Processing helix chain 'U1' and resid 2 through 19 Processing helix chain 'U2' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSU2 6 " --> pdb=" O GLUU2 2 " (cutoff:3.500A) Processing helix chain 'U3' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUU3 7 " --> pdb=" O PHEU3 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSU3 17 " --> pdb=" O ASPU3 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEU3 18 " --> pdb=" O LEUU3 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUU3 19 " --> pdb=" O LEUU3 15 " (cutoff:3.500A) Processing helix chain 'U4' and resid 1 through 19 Processing helix chain 'U5' and resid 2 through 19 Processing helix chain 'U6' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSU6 6 " --> pdb=" O GLUU6 2 " (cutoff:3.500A) Processing helix chain 'U7' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUU7 7 " --> pdb=" O PHEU7 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSU7 17 " --> pdb=" O ASPU7 13 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHEU7 18 " --> pdb=" O LEUU7 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUU7 19 " --> pdb=" O LEUU7 15 " (cutoff:3.500A) Processing helix chain 'U8' and resid 1 through 19 Processing helix chain 'U9' and resid 2 through 19 Processing helix chain 'VA' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSVA 6 " --> pdb=" O GLUVA 2 " (cutoff:3.500A) Processing helix chain 'VB' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUVB 7 " --> pdb=" O PHEVB 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSVB 17 " --> pdb=" O ASPVB 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEVB 18 " --> pdb=" O LEUVB 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUVB 19 " --> pdb=" O LEUVB 15 " (cutoff:3.500A) Processing helix chain 'VC' and resid 1 through 19 Processing helix chain 'VD' and resid 2 through 19 Processing helix chain 'VE' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSVE 6 " --> pdb=" O GLUVE 2 " (cutoff:3.500A) Processing helix chain 'VF' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUVF 7 " --> pdb=" O PHEVF 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSVF 17 " --> pdb=" O ASPVF 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEVF 18 " --> pdb=" O LEUVF 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUVF 19 " --> pdb=" O LEUVF 15 " (cutoff:3.500A) Processing helix chain 'VG' and resid 1 through 19 Processing helix chain 'VH' and resid 2 through 19 Processing helix chain 'VI' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSVI 6 " --> pdb=" O GLUVI 2 " (cutoff:3.500A) Processing helix chain 'VJ' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUVJ 7 " --> pdb=" O PHEVJ 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSVJ 17 " --> pdb=" O ASPVJ 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEVJ 18 " --> pdb=" O LEUVJ 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUVJ 19 " --> pdb=" O LEUVJ 15 " (cutoff:3.500A) Processing helix chain 'VK' and resid 1 through 19 Processing helix chain 'VL' and resid 2 through 19 Processing helix chain 'VM' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSVM 6 " --> pdb=" O GLUVM 2 " (cutoff:3.500A) Processing helix chain 'VN' and resid 2 through 19 removed outlier: 3.583A pdb=" N LEUVN 7 " --> pdb=" O PHEVN 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSVN 17 " --> pdb=" O ASPVN 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEVN 18 " --> pdb=" O LEUVN 14 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEUVN 19 " --> pdb=" O LEUVN 15 " (cutoff:3.500A) Processing helix chain 'VO' and resid 1 through 19 Processing helix chain 'VP' and resid 2 through 19 Processing helix chain 'VQ' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSVQ 6 " --> pdb=" O GLUVQ 2 " (cutoff:3.500A) Processing helix chain 'VR' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUVR 7 " --> pdb=" O PHEVR 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSVR 17 " --> pdb=" O ASPVR 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEVR 18 " --> pdb=" O LEUVR 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUVR 19 " --> pdb=" O LEUVR 15 " (cutoff:3.500A) Processing helix chain 'VS' and resid 1 through 19 Processing helix chain 'VT' and resid 2 through 19 Processing helix chain 'VU' and resid 2 through 19 removed outlier: 3.749A pdb=" N LYSVU 6 " --> pdb=" O GLUVU 2 " (cutoff:3.500A) Processing helix chain 'VV' and resid 2 through 19 removed outlier: 3.584A pdb=" N LEUVV 7 " --> pdb=" O PHEVV 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYSVV 17 " --> pdb=" O ASPVV 13 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHEVV 18 " --> pdb=" O LEUVV 14 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEUVV 19 " --> pdb=" O LEUVV 15 " (cutoff:3.500A) 10920 hydrogen bonds defined for protein. 32760 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: 70.47 Time building geometry restraints manager: 50.46 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.23 - 1.34: 39270 1.34 - 1.46: 32999 1.46 - 1.57: 77251 1.57 - 1.69: 0 1.69 - 1.80: 1680 Bond restraints: 151200 Sorted by residual: bond pdb=" CA LYSHW 9 " pdb=" C LYSHW 9 " ideal model delta sigma weight residual 1.524 1.477 0.047 1.27e-02 6.20e+03 1.38e+01 bond pdb=" CA LYSVO 9 " pdb=" C LYSVO 9 " ideal model delta sigma weight residual 1.524 1.477 0.047 1.27e-02 6.20e+03 1.37e+01 bond pdb=" CA LYSHK 9 " pdb=" C LYSHK 9 " ideal model delta sigma weight residual 1.524 1.477 0.047 1.27e-02 6.20e+03 1.37e+01 bond pdb=" CA LYSEO 9 " pdb=" C LYSEO 9 " ideal model delta sigma weight residual 1.524 1.477 0.047 1.27e-02 6.20e+03 1.37e+01 bond pdb=" CA LYSG0 9 " pdb=" C LYSG0 9 " ideal model delta sigma weight residual 1.524 1.477 0.047 1.27e-02 6.20e+03 1.37e+01 ... (remaining 151195 not shown) Histogram of bond angle deviations from ideal: 100.39 - 105.28: 840 105.28 - 110.18: 20943 110.18 - 115.08: 64459 115.08 - 119.97: 39982 119.97 - 124.87: 72016 Bond angle restraints: 198240 Sorted by residual: angle pdb=" N LYSKC 9 " pdb=" CA LYSKC 9 " pdb=" C LYSKC 9 " ideal model delta sigma weight residual 111.07 105.77 5.30 1.07e+00 8.73e-01 2.45e+01 angle pdb=" N LYSNO 9 " pdb=" CA LYSNO 9 " pdb=" C LYSNO 9 " ideal model delta sigma weight residual 111.07 105.77 5.30 1.07e+00 8.73e-01 2.45e+01 angle pdb=" N LYSQ0 9 " pdb=" CA LYSQ0 9 " pdb=" C LYSQ0 9 " ideal model delta sigma weight residual 111.07 105.77 5.30 1.07e+00 8.73e-01 2.45e+01 angle pdb=" N LYSFW 9 " pdb=" CA LYSFW 9 " pdb=" C LYSFW 9 " ideal model delta sigma weight residual 111.07 105.78 5.29 1.07e+00 8.73e-01 2.45e+01 angle pdb=" N LYSHS 9 " pdb=" CA LYSHS 9 " pdb=" C LYSHS 9 " ideal model delta sigma weight residual 111.07 105.78 5.29 1.07e+00 8.73e-01 2.44e+01 ... (remaining 198235 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 9.90: 68600 9.90 - 19.80: 10074 19.80 - 29.69: 4696 29.69 - 39.59: 2310 39.59 - 49.49: 840 Dihedral angle restraints: 86520 sinusoidal: 37800 harmonic: 48720 Sorted by residual: dihedral pdb=" CA PHEGR 18 " pdb=" C PHEGR 18 " pdb=" N LEUGR 19 " pdb=" CA LEUGR 19 " ideal model delta harmonic sigma weight residual 180.00 -161.85 -18.15 0 5.00e+00 4.00e-02 1.32e+01 dihedral pdb=" CA PHE p 18 " pdb=" C PHE p 18 " pdb=" N LEU p 19 " pdb=" CA LEU p 19 " ideal model delta harmonic sigma weight residual -180.00 -161.86 -18.14 0 5.00e+00 4.00e-02 1.32e+01 dihedral pdb=" CA PHEMR 18 " pdb=" C PHEMR 18 " pdb=" N LEUMR 19 " pdb=" CA LEUMR 19 " ideal model delta harmonic sigma weight residual -180.00 -161.88 -18.12 0 5.00e+00 4.00e-02 1.31e+01 ... (remaining 86517 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.020: 10114 0.020 - 0.041: 5898 0.041 - 0.061: 2441 0.061 - 0.082: 990 0.082 - 0.102: 717 Chirality restraints: 20160 Sorted by residual: chirality pdb=" CG LEUU2 7 " pdb=" CB LEUU2 7 " pdb=" CD1 LEUU2 7 " pdb=" CD2 LEUU2 7 " both_signs ideal model delta sigma weight residual False -2.59 -2.69 0.10 2.00e-01 2.50e+01 2.62e-01 chirality pdb=" CG LEUR6 7 " pdb=" CB LEUR6 7 " pdb=" CD1 LEUR6 7 " pdb=" CD2 LEUR6 7 " both_signs ideal model delta sigma weight residual False -2.59 -2.69 0.10 2.00e-01 2.50e+01 2.61e-01 chirality pdb=" CA LYSQF 12 " pdb=" N LYSQF 12 " pdb=" C LYSQF 12 " pdb=" CB LYSQF 12 " both_signs ideal model delta sigma weight residual False 2.51 2.41 0.10 2.00e-01 2.50e+01 2.61e-01 ... (remaining 20157 not shown) Planarity restraints: 23520 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB PHEUK 8 " -0.016 2.00e-02 2.50e+03 1.21e-02 2.55e+00 pdb=" CG PHEUK 8 " 0.025 2.00e-02 2.50e+03 pdb=" CD1 PHEUK 8 " -0.003 2.00e-02 2.50e+03 pdb=" CD2 PHEUK 8 " 0.005 2.00e-02 2.50e+03 pdb=" CE1 PHEUK 8 " 0.001 2.00e-02 2.50e+03 pdb=" CE2 PHEUK 8 " -0.007 2.00e-02 2.50e+03 pdb=" CZ PHEUK 8 " -0.004 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB PHEKK 8 " -0.016 2.00e-02 2.50e+03 1.21e-02 2.55e+00 pdb=" CG PHEKK 8 " 0.025 2.00e-02 2.50e+03 pdb=" CD1 PHEKK 8 " -0.003 2.00e-02 2.50e+03 pdb=" CD2 PHEKK 8 " 0.005 2.00e-02 2.50e+03 pdb=" CE1 PHEKK 8 " 0.001 2.00e-02 2.50e+03 pdb=" CE2 PHEKK 8 " -0.008 2.00e-02 2.50e+03 pdb=" CZ PHEKK 8 " -0.004 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB PHEGS 8 " -0.016 2.00e-02 2.50e+03 1.21e-02 2.54e+00 pdb=" CG PHEGS 8 " 0.025 2.00e-02 2.50e+03 pdb=" CD1 PHEGS 8 " -0.003 2.00e-02 2.50e+03 pdb=" CD2 PHEGS 8 " 0.005 2.00e-02 2.50e+03 pdb=" CE1 PHEGS 8 " 0.001 2.00e-02 2.50e+03 pdb=" CE2 PHEGS 8 " -0.007 2.00e-02 2.50e+03 pdb=" CZ PHEGS 8 " -0.004 2.00e-02 2.50e+03 ... (remaining 23517 not shown) Histogram of nonbonded interaction distances: 2.12 - 2.67: 1771 2.67 - 3.23: 162580 3.23 - 3.79: 232003 3.79 - 4.34: 289363 4.34 - 4.90: 448555 Nonbonded interactions: 1134272 Sorted by model distance: nonbonded pdb=" NZ LYSJR 12 " pdb=" O PHENB 10 " model vdw 2.117 2.520 nonbonded pdb=" NZ LYSLZ 12 " pdb=" O PHEPJ 10 " model vdw 2.118 2.520 nonbonded pdb=" NZ LYSHB 12 " pdb=" O PHEKV 10 " model vdw 2.118 2.520 nonbonded pdb=" NZ LYSKJ 12 " pdb=" O PHEN3 10 " model vdw 2.118 2.520 nonbonded pdb=" NZ LYS x 12 " pdb=" O PHEDR 10 " model vdw 2.118 2.520 ... (remaining 1134267 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain '9' selection = chain 'A' selection = chain 'A0' selection = chain 'A1' selection = chain 'A2' selection = chain 'A3' selection = chain 'A4' selection = chain 'A5' selection = chain 'A6' selection = chain 'A7' selection = chain 'A8' selection = chain 'A9' selection = chain 'AA' selection = chain 'AB' selection = chain 'AC' selection = chain 'AD' selection = chain 'AE' selection = chain 'AF' selection = chain 'AG' selection = chain 'AH' selection = chain 'AI' selection = chain 'AJ' selection = chain 'AK' selection = chain 'AL' selection = chain 'AM' selection = chain 'AN' selection = chain 'AO' selection = chain 'AP' selection = chain 'AQ' selection = chain 'AR' selection = chain 'AS' selection = chain 'AT' selection = chain 'AU' selection = chain 'AV' selection = chain 'AW' selection = chain 'AX' selection = chain 'AY' selection = chain 'AZ' selection = chain 'B' selection = chain 'B0' selection = chain 'B1' selection = chain 'B2' selection = chain 'B3' selection = chain 'B4' selection = chain 'B5' selection = chain 'B6' selection = chain 'B7' selection = chain 'B8' selection = chain 'B9' selection = chain 'BA' selection = chain 'BB' selection = chain 'BC' selection = chain 'BD' selection = chain 'BE' selection = chain 'BF' selection = chain 'BG' selection = chain 'BH' selection = chain 'BI' selection = chain 'BJ' selection = chain 'BK' selection = chain 'BL' selection = chain 'BM' selection = chain 'BN' selection = chain 'BO' selection = chain 'BP' selection = chain 'BQ' selection = chain 'BR' selection = chain 'BS' selection = chain 'BT' selection = chain 'BU' selection = chain 'BV' selection = chain 'BW' selection = chain 'BX' selection = chain 'BY' selection = chain 'BZ' selection = chain 'C' selection = chain 'C0' selection = chain 'C1' selection = chain 'C2' selection = chain 'C3' selection = chain 'C4' selection = chain 'C5' selection = chain 'C6' selection = chain 'C7' selection = chain 'C8' selection = chain 'C9' selection = chain 'CA' selection = chain 'CB' selection = chain 'CC' selection = chain 'CD' selection = chain 'CE' selection = chain 'CF' selection = chain 'CG' selection = chain 'CH' selection = chain 'CI' selection = chain 'CJ' selection = chain 'CK' selection = chain 'CL' selection = chain 'CM' selection = chain 'CN' selection = chain 'CO' selection = chain 'CP' selection = chain 'CQ' selection = chain 'CR' selection = chain 'CS' selection = chain 'CT' selection = chain 'CU' selection = chain 'CV' selection = chain 'CW' selection = chain 'CX' selection = chain 'CY' selection = chain 'CZ' selection = chain 'D' selection = chain 'D0' selection = chain 'D1' selection = chain 'D2' selection = chain 'D3' selection = chain 'D4' selection = chain 'D5' selection = chain 'D6' selection = chain 'D7' selection = chain 'D8' selection = chain 'D9' selection = chain 'DA' selection = chain 'DB' selection = chain 'DC' selection = chain 'DD' selection = chain 'DE' selection = chain 'DF' selection = chain 'DG' selection = chain 'DH' selection = chain 'DI' selection = chain 'DJ' selection = chain 'DK' selection = chain 'DL' selection = chain 'DM' selection = chain 'DN' selection = chain 'DO' selection = chain 'DP' selection = chain 'DQ' selection = chain 'DR' selection = chain 'DS' selection = chain 'DT' selection = chain 'DU' selection = chain 'DV' selection = chain 'DW' selection = chain 'DX' selection = chain 'DY' selection = chain 'DZ' selection = chain 'E' selection = chain 'E0' selection = chain 'E1' selection = chain 'E2' selection = chain 'E3' selection = chain 'E4' selection = chain 'E5' selection = chain 'E6' selection = chain 'E7' selection = chain 'E8' selection = chain 'E9' selection = chain 'EA' selection = chain 'EB' selection = chain 'EC' selection = chain 'ED' selection = chain 'EE' selection = chain 'EF' selection = chain 'EG' selection = chain 'EH' selection = chain 'EI' selection = chain 'EJ' selection = chain 'EK' selection = chain 'EL' selection = chain 'EM' selection = chain 'EN' selection = chain 'EO' selection = chain 'EP' selection = chain 'EQ' selection = chain 'ER' selection = chain 'ES' selection = chain 'ET' selection = chain 'EU' selection = chain 'EV' selection = chain 'EW' selection = chain 'EX' selection = chain 'EY' selection = chain 'EZ' selection = chain 'F' selection = chain 'F0' selection = chain 'F1' selection = chain 'F2' selection = chain 'F3' selection = chain 'F4' selection = chain 'F5' selection = chain 'F6' selection = chain 'F7' selection = chain 'F8' selection = chain 'F9' selection = chain 'FA' selection = chain 'FB' selection = chain 'FC' selection = chain 'FD' selection = chain 'FE' selection = chain 'FF' selection = chain 'FG' selection = chain 'FH' selection = chain 'FI' selection = chain 'FJ' selection = chain 'FK' selection = chain 'FL' selection = chain 'FM' selection = chain 'FN' selection = chain 'FO' selection = chain 'FP' selection = chain 'FQ' selection = chain 'FR' selection = chain 'FS' selection = chain 'FT' selection = chain 'FU' selection = chain 'FV' selection = chain 'FW' selection = chain 'FX' selection = chain 'FY' selection = chain 'FZ' selection = chain 'G' selection = chain 'G0' selection = chain 'G1' selection = chain 'G2' selection = chain 'G3' selection = chain 'G4' selection = chain 'G5' selection = chain 'G6' selection = chain 'G7' selection = chain 'G8' selection = chain 'G9' selection = chain 'GA' selection = chain 'GB' selection = chain 'GC' selection = chain 'GD' selection = chain 'GE' selection = chain 'GF' selection = chain 'GG' selection = chain 'GH' selection = chain 'GI' selection = chain 'GJ' selection = chain 'GK' selection = chain 'GL' selection = chain 'GM' selection = chain 'GN' selection = chain 'GO' selection = chain 'GP' selection = chain 'GQ' selection = chain 'GR' selection = chain 'GS' selection = chain 'GT' selection = chain 'GU' selection = chain 'GV' selection = chain 'GW' selection = chain 'GX' selection = chain 'GY' selection = chain 'GZ' selection = chain 'H' selection = chain 'H0' selection = chain 'H1' selection = chain 'H2' selection = chain 'H3' selection = chain 'H4' selection = chain 'H5' selection = chain 'H6' selection = chain 'H7' selection = chain 'H8' selection = chain 'H9' selection = chain 'HA' selection = chain 'HB' selection = chain 'HC' selection = chain 'HD' selection = chain 'HE' selection = chain 'HF' selection = chain 'HG' selection = chain 'HH' selection = chain 'HI' selection = chain 'HJ' selection = chain 'HK' selection = chain 'HL' selection = chain 'HM' selection = chain 'HN' selection = chain 'HO' selection = chain 'HP' selection = chain 'HQ' selection = chain 'HR' selection = chain 'HS' selection = chain 'HT' selection = chain 'HU' selection = chain 'HV' selection = chain 'HW' selection = chain 'HX' selection = chain 'HY' selection = chain 'HZ' selection = chain 'I' selection = chain 'I0' selection = chain 'I1' selection = chain 'I2' selection = chain 'I3' selection = chain 'I4' selection = chain 'I5' selection = chain 'I6' selection = chain 'I7' selection = chain 'I8' selection = chain 'I9' selection = chain 'IA' selection = chain 'IB' selection = chain 'IC' selection = chain 'ID' selection = chain 'IE' selection = chain 'IF' selection = chain 'IG' selection = chain 'IH' selection = chain 'II' selection = chain 'IJ' selection = chain 'IK' selection = chain 'IL' selection = chain 'IM' selection = chain 'IN' selection = chain 'IO' selection = chain 'IP' selection = chain 'IQ' selection = chain 'IR' selection = chain 'IS' selection = chain 'IT' selection = chain 'IU' selection = chain 'IV' selection = chain 'IW' selection = chain 'IX' selection = chain 'IY' selection = chain 'IZ' selection = chain 'J' selection = chain 'J0' selection = chain 'J1' selection = chain 'J2' selection = chain 'J3' selection = chain 'J4' selection = chain 'J5' selection = chain 'J6' selection = chain 'J7' selection = chain 'J8' selection = chain 'J9' selection = chain 'JA' selection = chain 'JB' selection = chain 'JC' selection = chain 'JD' selection = chain 'JE' selection = chain 'JF' selection = chain 'JG' selection = chain 'JH' selection = chain 'JI' selection = chain 'JJ' selection = chain 'JK' selection = chain 'JL' selection = chain 'JM' selection = chain 'JN' selection = chain 'JO' selection = chain 'JP' selection = chain 'JQ' selection = chain 'JR' selection = chain 'JS' selection = chain 'JT' selection = chain 'JU' selection = chain 'JV' selection = chain 'JW' selection = chain 'JX' selection = chain 'JY' selection = chain 'JZ' selection = chain 'K' selection = chain 'K0' selection = chain 'K1' selection = chain 'K2' selection = chain 'K3' selection = chain 'K4' selection = chain 'K5' selection = chain 'K6' selection = chain 'K7' selection = chain 'K8' selection = chain 'K9' selection = chain 'KA' selection = chain 'KB' selection = chain 'KC' selection = chain 'KD' selection = chain 'KE' selection = chain 'KF' selection = chain 'KG' selection = chain 'KH' selection = chain 'KI' selection = chain 'KJ' selection = chain 'KK' selection = chain 'KL' selection = chain 'KM' selection = chain 'KN' selection = chain 'KO' selection = chain 'KP' selection = chain 'KQ' selection = chain 'KR' selection = chain 'KS' selection = chain 'KT' selection = chain 'KU' selection = chain 'KV' selection = chain 'KW' selection = chain 'KX' selection = chain 'KY' selection = chain 'KZ' selection = chain 'L' selection = chain 'L0' selection = chain 'L1' selection = chain 'L2' selection = chain 'L3' selection = chain 'L4' selection = chain 'L5' selection = chain 'L6' selection = chain 'L7' selection = chain 'L8' selection = chain 'L9' selection = chain 'LA' selection = chain 'LB' selection = chain 'LC' selection = chain 'LD' selection = chain 'LE' selection = chain 'LF' selection = chain 'LG' selection = chain 'LH' selection = chain 'LI' selection = chain 'LJ' selection = chain 'LK' selection = chain 'LL' selection = chain 'LM' selection = chain 'LN' selection = chain 'LO' selection = chain 'LP' selection = chain 'LQ' selection = chain 'LR' selection = chain 'LS' selection = chain 'LT' selection = chain 'LU' selection = chain 'LV' selection = chain 'LW' selection = chain 'LX' selection = chain 'LY' selection = chain 'LZ' selection = chain 'M' selection = chain 'M0' selection = chain 'M1' selection = chain 'M2' selection = chain 'M3' selection = chain 'M4' selection = chain 'M5' selection = chain 'M6' selection = chain 'M7' selection = chain 'M8' selection = chain 'M9' selection = chain 'MA' selection = chain 'MB' selection = chain 'MC' selection = chain 'MD' selection = chain 'ME' selection = chain 'MF' selection = chain 'MG' selection = chain 'MH' selection = chain 'MI' selection = chain 'MJ' selection = chain 'MK' selection = chain 'ML' selection = chain 'MM' selection = chain 'MN' selection = chain 'MO' selection = chain 'MP' selection = chain 'MQ' selection = chain 'MR' selection = chain 'MS' selection = chain 'MT' selection = chain 'MU' selection = chain 'MV' selection = chain 'MW' selection = chain 'MX' selection = chain 'MY' selection = chain 'MZ' selection = chain 'N' selection = chain 'N0' selection = chain 'N1' selection = chain 'N2' selection = chain 'N3' selection = chain 'N4' selection = chain 'N5' selection = chain 'N6' selection = chain 'N7' selection = chain 'N8' selection = chain 'N9' selection = chain 'NA' selection = chain 'NB' selection = chain 'NC' selection = chain 'ND' selection = chain 'NE' selection = chain 'NF' selection = chain 'NG' selection = chain 'NH' selection = chain 'NI' selection = chain 'NJ' selection = chain 'NK' selection = chain 'NL' selection = chain 'NM' selection = chain 'NN' selection = chain 'NO' selection = chain 'NP' selection = chain 'NQ' selection = chain 'NR' selection = chain 'NS' selection = chain 'NT' selection = chain 'NU' selection = chain 'NV' selection = chain 'NW' selection = chain 'NX' selection = chain 'NY' selection = chain 'NZ' selection = chain 'O' selection = chain 'O0' selection = chain 'O1' selection = chain 'O2' selection = chain 'O3' selection = chain 'O4' selection = chain 'O5' selection = chain 'O6' selection = chain 'O7' selection = chain 'O8' selection = chain 'O9' selection = chain 'OA' selection = chain 'OB' selection = chain 'OC' selection = chain 'OD' selection = chain 'OE' selection = chain 'OF' selection = chain 'OG' selection = chain 'OH' selection = chain 'OI' selection = chain 'OJ' selection = chain 'OK' selection = chain 'OL' selection = chain 'OM' selection = chain 'ON' selection = chain 'OO' selection = chain 'OP' selection = chain 'OQ' selection = chain 'OR' selection = chain 'OS' selection = chain 'OT' selection = chain 'OU' selection = chain 'OV' selection = chain 'OW' selection = chain 'OX' selection = chain 'OY' selection = chain 'OZ' selection = chain 'P' selection = chain 'P0' selection = chain 'P1' selection = chain 'P2' selection = chain 'P3' selection = chain 'P4' selection = chain 'P5' selection = chain 'P6' selection = chain 'P7' selection = chain 'P8' selection = chain 'P9' selection = chain 'PA' selection = chain 'PB' selection = chain 'PC' selection = chain 'PD' selection = chain 'PE' selection = chain 'PF' selection = chain 'PG' selection = chain 'PH' selection = chain 'PI' selection = chain 'PJ' selection = chain 'PK' selection = chain 'PL' selection = chain 'PM' selection = chain 'PN' selection = chain 'PO' selection = chain 'PP' selection = chain 'PQ' selection = chain 'PR' selection = chain 'PS' selection = chain 'PT' selection = chain 'PU' selection = chain 'PV' selection = chain 'PW' selection = chain 'PX' selection = chain 'PY' selection = chain 'PZ' selection = chain 'Q' selection = chain 'Q0' selection = chain 'Q1' selection = chain 'Q2' selection = chain 'Q3' selection = chain 'Q4' selection = chain 'Q5' selection = chain 'Q6' selection = chain 'Q7' selection = chain 'Q8' selection = chain 'Q9' selection = chain 'QA' selection = chain 'QB' selection = chain 'QC' selection = chain 'QD' selection = chain 'QE' selection = chain 'QF' selection = chain 'QG' selection = chain 'QH' selection = chain 'QI' selection = chain 'QJ' selection = chain 'QK' selection = chain 'QL' selection = chain 'QM' selection = chain 'QN' selection = chain 'QO' selection = chain 'QP' selection = chain 'QQ' selection = chain 'QR' selection = chain 'QS' selection = chain 'QT' selection = chain 'QU' selection = chain 'QV' selection = chain 'QW' selection = chain 'QX' selection = chain 'QY' selection = chain 'QZ' selection = chain 'R' selection = chain 'R0' selection = chain 'R1' selection = chain 'R2' selection = chain 'R3' selection = chain 'R4' selection = chain 'R5' selection = chain 'R6' selection = chain 'R7' selection = chain 'R8' selection = chain 'R9' selection = chain 'RA' selection = chain 'RB' selection = chain 'RC' selection = chain 'RD' selection = chain 'RE' selection = chain 'RF' selection = chain 'RG' selection = chain 'RH' selection = chain 'RI' selection = chain 'RJ' selection = chain 'RK' selection = chain 'RL' selection = chain 'RM' selection = chain 'RN' selection = chain 'RO' selection = chain 'RP' selection = chain 'RQ' selection = chain 'RR' selection = chain 'RS' selection = chain 'RT' selection = chain 'RU' selection = chain 'RV' selection = chain 'RW' selection = chain 'RX' selection = chain 'RY' selection = chain 'RZ' selection = chain 'S' selection = chain 'S0' selection = chain 'S1' selection = chain 'S2' selection = chain 'S3' selection = chain 'S4' selection = chain 'S5' selection = chain 'S6' selection = chain 'S7' selection = chain 'S8' selection = chain 'S9' selection = chain 'SA' selection = chain 'SB' selection = chain 'SC' selection = chain 'SD' selection = chain 'SE' selection = chain 'SF' selection = chain 'SG' selection = chain 'SH' selection = chain 'SI' selection = chain 'SJ' selection = chain 'SK' selection = chain 'SL' selection = chain 'SM' selection = chain 'SN' selection = chain 'SO' selection = chain 'SP' selection = chain 'SQ' selection = chain 'SR' selection = chain 'SS' selection = chain 'ST' selection = chain 'SU' selection = chain 'SV' selection = chain 'SW' selection = chain 'SX' selection = chain 'SY' selection = chain 'SZ' selection = chain 'T' selection = chain 'T0' selection = chain 'T1' selection = chain 'T2' selection = chain 'T3' selection = chain 'T4' selection = chain 'T5' selection = chain 'T6' selection = chain 'T7' selection = chain 'T8' selection = chain 'T9' selection = chain 'TA' selection = chain 'TB' selection = chain 'TC' selection = chain 'TD' selection = chain 'TE' selection = chain 'TF' selection = chain 'TG' selection = chain 'TH' selection = chain 'TI' selection = chain 'TJ' selection = chain 'TK' selection = chain 'TL' selection = chain 'TM' selection = chain 'TN' selection = chain 'TO' selection = chain 'TP' selection = chain 'TQ' selection = chain 'TR' selection = chain 'TS' selection = chain 'TT' selection = chain 'TU' selection = chain 'TV' selection = chain 'TW' selection = chain 'TX' selection = chain 'TY' selection = chain 'TZ' selection = chain 'U' selection = chain 'U0' selection = chain 'U1' selection = chain 'U2' selection = chain 'U3' selection = chain 'U4' selection = chain 'U5' selection = chain 'U6' selection = chain 'U7' selection = chain 'U8' selection = chain 'U9' selection = chain 'UA' selection = chain 'UB' selection = chain 'UC' selection = chain 'UD' selection = chain 'UE' selection = chain 'UF' selection = chain 'UG' selection = chain 'UH' selection = chain 'UI' selection = chain 'UJ' selection = chain 'UK' selection = chain 'UL' selection = chain 'UM' selection = chain 'UN' selection = chain 'UO' selection = chain 'UP' selection = chain 'UQ' selection = chain 'UR' selection = chain 'US' selection = chain 'UT' selection = chain 'UU' selection = chain 'UV' selection = chain 'UW' selection = chain 'UX' selection = chain 'UY' selection = chain 'UZ' selection = chain 'V' selection = chain 'VA' selection = chain 'VB' selection = chain 'VC' selection = chain 'VD' selection = chain 'VE' selection = chain 'VF' selection = chain 'VG' selection = chain 'VH' selection = chain 'VI' selection = chain 'VJ' selection = chain 'VK' selection = chain 'VL' selection = chain 'VM' selection = chain 'VN' selection = chain 'VO' selection = chain 'VP' selection = chain 'VQ' selection = chain 'VR' selection = chain 'VS' selection = chain 'VT' selection = chain 'VU' selection = chain 'VV' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' 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: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.010 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.140 Extract box with map and model: 18.230 Check model and map are aligned: 1.630 Set scattering table: 1.020 Process input model: 305.040 Find NCS groups from input model: 15.990 Set up NCS constraints: 20.740 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: 0.030 Load rotamer database and sin/cos tables:2.570 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 368.410 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8040 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 : 0.006 0.047 151200 Z= 0.371 Angle : 0.806 8.075 198240 Z= 0.494 Chirality : 0.035 0.102 20160 Planarity : 0.003 0.014 23520 Dihedral : 13.873 49.489 54600 Min Nonbonded Distance : 2.117 Molprobity Statistics. All-atom Clashscore : 45.77 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.32 % Favored : 98.68 % Rotamer: Outliers : 0.00 % Allowed : 2.78 % Favored : 97.22 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.28 (0.06), residues: 15960 helix: 0.35 (0.04), residues: 14280 sheet: None (None), residues: 0 loop : -4.14 (0.11), residues: 1680 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.025 0.003 PHEUK 8 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5889 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 5889 time to evaluate : 12.871 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: A 8 PHE cc_start: 0.8165 (t80) cc_final: 0.7716 (t80) REVERT: C 1 MET cc_start: 0.6813 (ptm) cc_final: 0.6514 (ptt) REVERT: C 6 LYS cc_start: 0.9504 (mmmm) cc_final: 0.9249 (mmmm) REVERT: D 2 GLU cc_start: 0.7914 (pp20) cc_final: 0.7527 (mp0) REVERT: E 1 MET cc_start: 0.7344 (ppp) cc_final: 0.6440 (ppp) REVERT: F 1 MET cc_start: 0.7245 (tmm) cc_final: 0.5876 (tmm) REVERT: F 10 PHE cc_start: 0.8424 (t80) cc_final: 0.8198 (m-10) REVERT: G 1 MET cc_start: 0.7237 (ptm) cc_final: 0.6796 (ptp) REVERT: G 2 GLU cc_start: 0.8147 (pp20) cc_final: 0.7783 (tp30) REVERT: G 17 LYS cc_start: 0.8959 (ttmm) cc_final: 0.8603 (tmtt) REVERT: I 1 MET cc_start: 0.7148 (ppp) cc_final: 0.5875 (ppp) REVERT: J 1 MET cc_start: 0.7545 (tmm) cc_final: 0.6690 (tmm) REVERT: K 9 LYS cc_start: 0.9096 (ttmm) cc_final: 0.8662 (mttp) REVERT: M 1 MET cc_start: 0.7285 (ppp) cc_final: 0.5911 (ppp) REVERT: N 1 MET cc_start: 0.7363 (tmm) cc_final: 0.6916 (tmm) REVERT: O 1 MET cc_start: 0.6337 (ptm) cc_final: 0.5792 (pmm) REVERT: R 1 MET cc_start: 0.7194 (tmm) cc_final: 0.5776 (tmm) REVERT: S 12 LYS cc_start: 0.8585 (tttm) cc_final: 0.8347 (tppt) REVERT: U 1 MET cc_start: 0.7108 (ppp) cc_final: 0.6825 (pmm) REVERT: Z 1 MET cc_start: 0.7265 (tmm) cc_final: 0.6130 (tmm) REVERT: 0 1 MET cc_start: 0.7910 (ptm) cc_final: 0.7658 (ptp) REVERT: 0 13 ASP cc_start: 0.8208 (t0) cc_final: 0.7879 (t0) REVERT: 1 1 MET cc_start: 0.6794 (ptp) cc_final: 0.6552 (ptp) REVERT: 3 1 MET cc_start: 0.7299 (tmm) cc_final: 0.6101 (tmm) REVERT: 3 4 VAL cc_start: 0.9357 (t) cc_final: 0.8863 (p) REVERT: 4 1 MET cc_start: 0.7405 (ptm) cc_final: 0.6382 (ptp) REVERT: 7 1 MET cc_start: 0.7530 (tmm) cc_final: 0.6033 (tmm) REVERT: 8 11 PHE cc_start: 0.8454 (m-10) cc_final: 0.8207 (m-80) REVERT: d 13 ASP cc_start: 0.7884 (t0) cc_final: 0.7345 (t70) REVERT: g 1 MET cc_start: 0.7730 (ptm) cc_final: 0.7528 (ptt) REVERT: i 1 MET cc_start: 0.7103 (ppp) cc_final: 0.6624 (ppp) REVERT: m 1 MET cc_start: 0.6707 (ppp) cc_final: 0.5748 (ppp) REVERT: n 1 MET cc_start: 0.7444 (tmm) cc_final: 0.6493 (tmm) REVERT: n 4 VAL cc_start: 0.9158 (t) cc_final: 0.8939 (t) REVERT: n 9 LYS cc_start: 0.9107 (tmtt) cc_final: 0.8734 (mmmm) REVERT: o 9 LYS cc_start: 0.9131 (ttmm) cc_final: 0.8917 (mtmm) REVERT: p 13 ASP cc_start: 0.7497 (t0) cc_final: 0.7274 (t0) REVERT: q 1 MET cc_start: 0.7026 (ppp) cc_final: 0.6121 (pmm) REVERT: AE 1 MET cc_start: 0.6718 (ptm) cc_final: 0.6181 (ptt) REVERT: AI 1 MET cc_start: 0.7001 (ptm) cc_final: 0.6760 (ptt) REVERT: AL 1 MET cc_start: 0.8290 (tmm) cc_final: 0.7075 (tmm) REVERT: AO 8 PHE cc_start: 0.8188 (t80) cc_final: 0.7818 (t80) REVERT: AP 1 MET cc_start: 0.7799 (tmm) cc_final: 0.6819 (tmm) REVERT: AQ 1 MET cc_start: 0.6491 (ptm) cc_final: 0.6144 (ptm) REVERT: AQ 12 LYS cc_start: 0.9176 (tttm) cc_final: 0.8861 (tptp) REVERT: AU 1 MET cc_start: 0.7070 (ptm) cc_final: 0.6754 (ptp) REVERT: AU 7 LEU cc_start: 0.9184 (tt) cc_final: 0.8894 (tt) REVERT: AW 1 MET cc_start: 0.6707 (ppp) cc_final: 0.5930 (ppp) REVERT: AX 1 MET cc_start: 0.7959 (tmm) cc_final: 0.6602 (tmm) REVERT: AY 9 LYS cc_start: 0.9026 (ttmm) cc_final: 0.8486 (tppt) REVERT: AZ 12 LYS cc_start: 0.8649 (mptt) cc_final: 0.7944 (mmtp) REVERT: A1 1 MET cc_start: 0.7493 (tmm) cc_final: 0.6058 (tmm) REVERT: A1 4 VAL cc_start: 0.9107 (t) cc_final: 0.8699 (t) REVERT: A4 1 MET cc_start: 0.6341 (ppp) cc_final: 0.5349 (ppp) REVERT: A4 8 PHE cc_start: 0.8394 (t80) cc_final: 0.7930 (t80) REVERT: A5 1 MET cc_start: 0.7965 (tmm) cc_final: 0.6785 (tmm) REVERT: A5 4 VAL cc_start: 0.9236 (t) cc_final: 0.9020 (t) REVERT: A6 9 LYS cc_start: 0.8985 (ttmm) cc_final: 0.8620 (tppt) REVERT: A8 1 MET cc_start: 0.7561 (ppp) cc_final: 0.6373 (ppp) REVERT: A9 1 MET cc_start: 0.7653 (tmm) cc_final: 0.6383 (tmm) REVERT: A9 4 VAL cc_start: 0.9333 (t) cc_final: 0.8931 (t) REVERT: BA 1 MET cc_start: 0.7041 (ptm) cc_final: 0.5713 (ptt) REVERT: BD 1 MET cc_start: 0.7618 (tmm) cc_final: 0.7119 (tmm) REVERT: BE 1 MET cc_start: 0.6005 (ptm) cc_final: 0.4988 (ptp) REVERT: BG 1 MET cc_start: 0.6276 (ppp) cc_final: 0.4513 (ppp) REVERT: BG 8 PHE cc_start: 0.7566 (t80) cc_final: 0.7241 (t80) REVERT: BH 1 MET cc_start: 0.7282 (tmm) cc_final: 0.6146 (tmm) REVERT: BI 1 MET cc_start: 0.5499 (ptm) cc_final: 0.5043 (ptt) REVERT: BI 2 GLU cc_start: 0.8390 (pp20) cc_final: 0.7884 (tm-30) REVERT: BK 1 MET cc_start: 0.6534 (ppp) cc_final: 0.6097 (pmm) REVERT: BL 1 MET cc_start: 0.7260 (tmm) cc_final: 0.6041 (tmm) REVERT: BL 4 VAL cc_start: 0.9082 (t) cc_final: 0.8743 (p) REVERT: BO 1 MET cc_start: 0.7464 (ppp) cc_final: 0.6149 (ppp) REVERT: BP 1 MET cc_start: 0.6648 (tmm) cc_final: 0.5931 (tmm) REVERT: BQ 1 MET cc_start: 0.6798 (ptm) cc_final: 0.6223 (ptt) REVERT: BR 12 LYS cc_start: 0.7889 (mptt) cc_final: 0.7432 (mptt) REVERT: BS 1 MET cc_start: 0.6682 (ppp) cc_final: 0.6224 (pmm) REVERT: BU 12 LYS cc_start: 0.9132 (tttm) cc_final: 0.8917 (tptt) REVERT: BW 1 MET cc_start: 0.7399 (ppp) cc_final: 0.6517 (ppp) REVERT: BX 1 MET cc_start: 0.7210 (tmm) cc_final: 0.5943 (tmm) REVERT: BX 4 VAL cc_start: 0.9182 (t) cc_final: 0.8978 (p) REVERT: BY 1 MET cc_start: 0.7166 (ptm) cc_final: 0.6036 (pmm) REVERT: BY 17 LYS cc_start: 0.8909 (ttmm) cc_final: 0.8607 (tmtt) REVERT: BZ 12 LYS cc_start: 0.8360 (mptt) cc_final: 0.7444 (ttmm) REVERT: BZ 17 LYS cc_start: 0.8589 (tttp) cc_final: 0.8121 (ttpt) REVERT: B0 1 MET cc_start: 0.7341 (ppp) cc_final: 0.6603 (ppp) REVERT: B1 1 MET cc_start: 0.7569 (tmm) cc_final: 0.6627 (tmm) REVERT: B4 1 MET cc_start: 0.7344 (ppp) cc_final: 0.6050 (ppp) REVERT: B5 1 MET cc_start: 0.7434 (tmm) cc_final: 0.6052 (tmm) REVERT: B6 1 MET cc_start: 0.6477 (ptm) cc_final: 0.5551 (pmm) REVERT: B6 11 PHE cc_start: 0.8275 (m-10) cc_final: 0.8060 (m-10) REVERT: B8 1 MET cc_start: 0.6277 (ppp) cc_final: 0.5900 (ppp) REVERT: CA 11 PHE cc_start: 0.8214 (m-10) cc_final: 0.8000 (m-80) REVERT: CG 1 MET cc_start: 0.6515 (ppp) cc_final: 0.5651 (ppp) REVERT: CH 1 MET cc_start: 0.7152 (tmm) cc_final: 0.5692 (tmm) REVERT: CM 1 MET cc_start: 0.7600 (ptm) cc_final: 0.7014 (ptp) REVERT: CM 9 LYS cc_start: 0.9011 (ttmm) cc_final: 0.8650 (ttmt) REVERT: CN 12 LYS cc_start: 0.8753 (mptt) cc_final: 0.8526 (mmtp) REVERT: CP 4 VAL cc_start: 0.9326 (t) cc_final: 0.9003 (t) REVERT: CP 9 LYS cc_start: 0.9234 (tmtt) cc_final: 0.9025 (tptm) REVERT: CQ 1 MET cc_start: 0.7313 (ptm) cc_final: 0.6849 (ptp) REVERT: CS 1 MET cc_start: 0.7864 (ppp) cc_final: 0.7272 (ppp) REVERT: CT 1 MET cc_start: 0.7936 (tmm) cc_final: 0.6601 (tmm) REVERT: CX 1 MET cc_start: 0.7587 (tmm) cc_final: 0.6272 (tmm) REVERT: CY 1 MET cc_start: 0.8068 (ptm) cc_final: 0.7819 (ptt) REVERT: CZ 12 LYS cc_start: 0.8473 (mptt) cc_final: 0.7991 (ttmm) REVERT: CZ 13 ASP cc_start: 0.8020 (t0) cc_final: 0.7812 (t70) REVERT: C0 1 MET cc_start: 0.6919 (ppp) cc_final: 0.6244 (pmm) REVERT: C2 11 PHE cc_start: 0.7678 (m-10) cc_final: 0.7465 (m-10) REVERT: C4 1 MET cc_start: 0.6313 (ppp) cc_final: 0.5187 (ppp) REVERT: C5 1 MET cc_start: 0.7219 (tmm) cc_final: 0.6044 (tmm) REVERT: C5 4 VAL cc_start: 0.9174 (t) cc_final: 0.8900 (t) REVERT: C5 9 LYS cc_start: 0.9002 (tmtt) cc_final: 0.8693 (mmmm) REVERT: C8 1 MET cc_start: 0.6285 (ppp) cc_final: 0.5579 (pmm) REVERT: C9 1 MET cc_start: 0.7777 (tmm) cc_final: 0.6557 (tmm) REVERT: DE 1 MET cc_start: 0.7179 (ptm) cc_final: 0.6547 (ptt) REVERT: DE 12 LYS cc_start: 0.9123 (tttm) cc_final: 0.8720 (ttmm) REVERT: DF 2 GLU cc_start: 0.7642 (pp20) cc_final: 0.7213 (mp0) REVERT: DF 11 PHE cc_start: 0.8391 (m-80) cc_final: 0.8188 (m-10) REVERT: DK 1 MET cc_start: 0.6484 (ppp) cc_final: 0.5876 (ppp) REVERT: DO 1 MET cc_start: 0.6700 (ppp) cc_final: 0.6324 (ppp) REVERT: DO 8 PHE cc_start: 0.8165 (t80) cc_final: 0.7802 (t80) REVERT: DQ 1 MET cc_start: 0.6371 (ptm) cc_final: 0.5787 (ptt) REVERT: DX 1 MET cc_start: 0.8129 (tmm) cc_final: 0.6905 (tmm) REVERT: DY 1 MET cc_start: 0.7173 (ptm) cc_final: 0.6949 (ptt) REVERT: DY 18 PHE cc_start: 0.8381 (m-10) cc_final: 0.8180 (t80) REVERT: DZ 1 MET cc_start: 0.5991 (ptp) cc_final: 0.5754 (mtm) REVERT: D0 8 PHE cc_start: 0.8134 (t80) cc_final: 0.7408 (t80) REVERT: D2 1 MET cc_start: 0.6393 (ptm) cc_final: 0.6077 (ptm) REVERT: D2 12 LYS cc_start: 0.9201 (tttm) cc_final: 0.8847 (tptp) REVERT: D5 9 LYS cc_start: 0.9112 (tmtt) cc_final: 0.8877 (tptp) REVERT: D6 9 LYS cc_start: 0.9196 (ttmm) cc_final: 0.8857 (tppt) REVERT: D8 1 MET cc_start: 0.7051 (ppp) cc_final: 0.6509 (ppp) REVERT: D9 1 MET cc_start: 0.7996 (tmm) cc_final: 0.6677 (tmm) REVERT: D9 9 LYS cc_start: 0.9106 (tmtt) cc_final: 0.8641 (mtmt) REVERT: EA 9 LYS cc_start: 0.9008 (ttmm) cc_final: 0.8442 (tppt) REVERT: EA 12 LYS cc_start: 0.9248 (tttm) cc_final: 0.9032 (tptt) REVERT: EB 12 LYS cc_start: 0.8709 (mptt) cc_final: 0.7745 (mmtp) REVERT: ED 1 MET cc_start: 0.7452 (tmm) cc_final: 0.5870 (tmm) REVERT: ED 4 VAL cc_start: 0.9209 (t) cc_final: 0.8688 (p) REVERT: EG 1 MET cc_start: 0.6034 (ppp) cc_final: 0.5180 (ppp) REVERT: EH 1 MET cc_start: 0.7623 (tmm) cc_final: 0.6433 (tmm) REVERT: EK 1 MET cc_start: 0.7366 (ppp) cc_final: 0.6846 (ppp) REVERT: EM 1 MET cc_start: 0.6954 (ptm) cc_final: 0.5712 (ptt) REVERT: EP 1 MET cc_start: 0.7133 (tmm) cc_final: 0.6168 (tmm) REVERT: EQ 1 MET cc_start: 0.6027 (ptm) cc_final: 0.4773 (ptp) REVERT: EU 1 MET cc_start: 0.5565 (ptm) cc_final: 0.5019 (ptt) REVERT: EU 2 GLU cc_start: 0.8521 (pp20) cc_final: 0.7937 (tm-30) REVERT: EX 1 MET cc_start: 0.7566 (tmm) cc_final: 0.6488 (tmm) REVERT: EX 4 VAL cc_start: 0.9046 (t) cc_final: 0.8618 (t) REVERT: EY 1 MET cc_start: 0.7652 (ptm) cc_final: 0.7093 (ptp) REVERT: EZ 12 LYS cc_start: 0.8768 (mptt) cc_final: 0.8506 (mmtp) REVERT: E0 1 MET cc_start: 0.7426 (ppp) cc_final: 0.6783 (pmm) REVERT: E1 1 MET cc_start: 0.6725 (tmm) cc_final: 0.6203 (tmm) REVERT: E1 4 VAL cc_start: 0.9023 (t) cc_final: 0.8813 (t) REVERT: E1 9 LYS cc_start: 0.9018 (tmtt) cc_final: 0.8806 (ttmm) REVERT: E2 1 MET cc_start: 0.6905 (ptm) cc_final: 0.6458 (ptt) REVERT: E3 12 LYS cc_start: 0.7724 (mptt) cc_final: 0.7235 (mptt) REVERT: E4 1 MET cc_start: 0.6372 (ppp) cc_final: 0.5978 (pmm) REVERT: E5 14 LEU cc_start: 0.9089 (tp) cc_final: 0.8863 (tt) REVERT: E6 1 MET cc_start: 0.5927 (ptm) cc_final: 0.5069 (ptp) REVERT: E6 9 LYS cc_start: 0.8988 (ttmm) cc_final: 0.8685 (tppt) REVERT: E6 12 LYS cc_start: 0.9160 (tttm) cc_final: 0.8820 (tptp) REVERT: E8 1 MET cc_start: 0.7489 (ppp) cc_final: 0.6455 (ppp) REVERT: E9 1 MET cc_start: 0.6876 (tmm) cc_final: 0.5638 (tmm) REVERT: E9 4 VAL cc_start: 0.9132 (t) cc_final: 0.8887 (t) REVERT: E9 10 PHE cc_start: 0.8574 (t80) cc_final: 0.8253 (m-10) REVERT: FA 1 MET cc_start: 0.7036 (ptm) cc_final: 0.6624 (ptp) REVERT: FA 17 LYS cc_start: 0.8878 (ttmm) cc_final: 0.8531 (tmtt) REVERT: FC 1 MET cc_start: 0.7152 (ppp) cc_final: 0.6736 (ppp) REVERT: FD 1 MET cc_start: 0.7530 (tmm) cc_final: 0.6398 (tmm) REVERT: FD 4 VAL cc_start: 0.9194 (t) cc_final: 0.8863 (t) REVERT: FE 9 LYS cc_start: 0.9017 (ttmm) cc_final: 0.8721 (mttp) REVERT: FI 1 MET cc_start: 0.6664 (ptm) cc_final: 0.6211 (pmm) REVERT: FJ 1 MET cc_start: 0.6190 (ptp) cc_final: 0.5888 (mpp) REVERT: FJ 13 ASP cc_start: 0.7379 (t0) cc_final: 0.6208 (t0) REVERT: FO 1 MET cc_start: 0.7236 (ppp) cc_final: 0.6962 (pmm) REVERT: FS 1 MET cc_start: 0.6460 (ppp) cc_final: 0.5418 (ppp) REVERT: FV 9 LYS cc_start: 0.9046 (tptp) cc_final: 0.7985 (tppt) REVERT: FW 1 MET cc_start: 0.6926 (ppp) cc_final: 0.6629 (pmm) REVERT: FY 1 MET cc_start: 0.7387 (ptm) cc_final: 0.6893 (ptp) REVERT: FY 9 LYS cc_start: 0.8717 (ttmm) cc_final: 0.8354 (tppt) REVERT: FY 12 LYS cc_start: 0.9079 (tttm) cc_final: 0.8803 (tptp) REVERT: F1 1 MET cc_start: 0.7410 (tmm) cc_final: 0.5923 (tmm) REVERT: F2 1 MET cc_start: 0.7369 (ptm) cc_final: 0.6978 (ptp) REVERT: F4 1 MET cc_start: 0.7653 (ppp) cc_final: 0.7297 (ppp) REVERT: F7 9 LYS cc_start: 0.9129 (tptp) cc_final: 0.8132 (tppt) REVERT: F8 1 MET cc_start: 0.7030 (ppp) cc_final: 0.6172 (pmm) REVERT: F9 1 MET cc_start: 0.7856 (tmm) cc_final: 0.6519 (tmm) REVERT: F9 4 VAL cc_start: 0.9322 (t) cc_final: 0.8984 (p) REVERT: GC 1 MET cc_start: 0.7156 (ppp) cc_final: 0.6058 (ppp) REVERT: GC 8 PHE cc_start: 0.8188 (t80) cc_final: 0.7612 (t80) REVERT: GD 1 MET cc_start: 0.7195 (tmm) cc_final: 0.5903 (tmm) REVERT: GG 1 MET cc_start: 0.6380 (ppp) cc_final: 0.5240 (ppp) REVERT: GH 1 MET cc_start: 0.7239 (tmm) cc_final: 0.6136 (tmm) REVERT: GK 1 MET cc_start: 0.5739 (ppp) cc_final: 0.5185 (pmm) REVERT: GL 1 MET cc_start: 0.7610 (tmm) cc_final: 0.6243 (tmm) REVERT: GL 4 VAL cc_start: 0.8961 (t) cc_final: 0.8739 (p) REVERT: GN 12 LYS cc_start: 0.8550 (mptt) cc_final: 0.8266 (mptt) REVERT: GQ 6 LYS cc_start: 0.9454 (mmmm) cc_final: 0.9234 (mmmm) REVERT: G1 1 MET cc_start: 0.8169 (tmm) cc_final: 0.7205 (tmm) REVERT: G1 4 VAL cc_start: 0.9243 (t) cc_final: 0.8881 (t) REVERT: G2 1 MET cc_start: 0.6923 (ptm) cc_final: 0.5922 (ptp) REVERT: G2 9 LYS cc_start: 0.9058 (ttmm) cc_final: 0.8688 (tppt) REVERT: G5 1 MET cc_start: 0.7747 (tmm) cc_final: 0.6447 (tmm) REVERT: G5 4 VAL cc_start: 0.9184 (t) cc_final: 0.8732 (t) REVERT: G6 1 MET cc_start: 0.6710 (ptm) cc_final: 0.6271 (ptt) REVERT: HA 1 MET cc_start: 0.7449 (ptm) cc_final: 0.7129 (ptt) REVERT: HC 1 MET cc_start: 0.6683 (ppp) cc_final: 0.6020 (ppp) REVERT: HE 11 PHE cc_start: 0.8008 (m-10) cc_final: 0.7731 (m-80) REVERT: HE 12 LYS cc_start: 0.9188 (tttm) cc_final: 0.8942 (tptp) REVERT: HG 1 MET cc_start: 0.7415 (ppp) cc_final: 0.6879 (ppp) REVERT: HK 1 MET cc_start: 0.6823 (ppp) cc_final: 0.6330 (ppp) REVERT: HM 9 LYS cc_start: 0.9011 (ttmm) cc_final: 0.8316 (tppt) REVERT: HM 12 LYS cc_start: 0.9051 (tttm) cc_final: 0.8811 (tptt) REVERT: HN 12 LYS cc_start: 0.8640 (mptt) cc_final: 0.7899 (mmtp) REVERT: HP 1 MET cc_start: 0.7729 (tmm) cc_final: 0.6416 (tmm) REVERT: HP 4 VAL cc_start: 0.9172 (t) cc_final: 0.8807 (t) REVERT: HS 1 MET cc_start: 0.6959 (ppp) cc_final: 0.6348 (ppp) REVERT: HT 1 MET cc_start: 0.7987 (tmm) cc_final: 0.6829 (tmm) REVERT: HV 13 ASP cc_start: 0.8034 (t0) cc_final: 0.7746 (t0) REVERT: HW 1 MET cc_start: 0.7698 (ppp) cc_final: 0.6844 (ppp) REVERT: HX 1 MET cc_start: 0.7648 (tmm) cc_final: 0.7139 (ttp) REVERT: HY 1 MET cc_start: 0.6807 (ptm) cc_final: 0.6008 (ptt) REVERT: H1 1 MET cc_start: 0.7414 (tmm) cc_final: 0.6730 (tmm) REVERT: H2 1 MET cc_start: 0.5876 (ptm) cc_final: 0.5188 (ptp) REVERT: H5 1 MET cc_start: 0.7436 (tmm) cc_final: 0.6441 (tmm) REVERT: H6 2 GLU cc_start: 0.8473 (pp20) cc_final: 0.7668 (tm-30) REVERT: H8 1 MET cc_start: 0.6348 (ppp) cc_final: 0.5942 (pmm) REVERT: H9 1 MET cc_start: 0.7325 (tmm) cc_final: 0.6228 (tmm) REVERT: IA 1 MET cc_start: 0.7474 (ptm) cc_final: 0.7072 (ptp) REVERT: IC 1 MET cc_start: 0.7490 (ppp) cc_final: 0.6299 (ppp) REVERT: IE 1 MET cc_start: 0.6897 (ptm) cc_final: 0.6228 (ptt) REVERT: IF 12 LYS cc_start: 0.7803 (mptt) cc_final: 0.7333 (mptt) REVERT: IH 9 LYS cc_start: 0.9144 (tmtt) cc_final: 0.8939 (tptp) REVERT: IH 10 PHE cc_start: 0.8617 (t80) cc_final: 0.8339 (t80) REVERT: IH 14 LEU cc_start: 0.9047 (tp) cc_final: 0.8778 (tt) REVERT: IK 1 MET cc_start: 0.7065 (ppp) cc_final: 0.6592 (ppp) REVERT: IL 1 MET cc_start: 0.7103 (tmm) cc_final: 0.5719 (tmm) REVERT: IL 4 VAL cc_start: 0.9172 (t) cc_final: 0.8852 (p) REVERT: IM 1 MET cc_start: 0.7395 (ptm) cc_final: 0.6935 (ptp) REVERT: IM 17 LYS cc_start: 0.8959 (ttmm) cc_final: 0.8605 (tmtt) REVERT: IO 1 MET cc_start: 0.7020 (ppp) cc_final: 0.6781 (ppp) REVERT: IP 1 MET cc_start: 0.7602 (tmm) cc_final: 0.6739 (tmm) REVERT: IQ 9 LYS cc_start: 0.9072 (ttmm) cc_final: 0.8634 (tppt) REVERT: IS 1 MET cc_start: 0.7304 (ppp) cc_final: 0.6101 (ppp) REVERT: IT 1 MET cc_start: 0.7218 (tmm) cc_final: 0.5898 (tmm) REVERT: IU 1 MET cc_start: 0.6244 (ptm) cc_final: 0.5260 (pmm) REVERT: IU 11 PHE cc_start: 0.8233 (m-10) cc_final: 0.7936 (m-10) REVERT: IV 13 ASP cc_start: 0.7609 (t0) cc_final: 0.7120 (t0) REVERT: IX 1 MET cc_start: 0.7415 (tmm) cc_final: 0.5814 (tmm) REVERT: IX 4 VAL cc_start: 0.9361 (t) cc_final: 0.9126 (t) REVERT: I0 1 MET cc_start: 0.7539 (ppp) cc_final: 0.6690 (ppp) REVERT: I3 12 LYS cc_start: 0.8319 (mptt) cc_final: 0.8034 (mmtt) REVERT: I4 1 MET cc_start: 0.6651 (ppp) cc_final: 0.5293 (ppp) REVERT: I7 9 LYS cc_start: 0.8909 (tptp) cc_final: 0.7854 (tppt) REVERT: I8 1 MET cc_start: 0.6970 (ppp) cc_final: 0.6721 (pmm) REVERT: I9 1 MET cc_start: 0.7560 (tmm) cc_final: 0.6141 (tmm) REVERT: I9 4 VAL cc_start: 0.9255 (t) cc_final: 0.8798 (p) REVERT: JA 1 MET cc_start: 0.7421 (ptm) cc_final: 0.6803 (ptp) REVERT: JD 1 MET cc_start: 0.7476 (tmm) cc_final: 0.6546 (tmm) REVERT: JD 9 LYS cc_start: 0.9217 (tmtt) cc_final: 0.8948 (tptt) REVERT: JI 1 MET cc_start: 0.7419 (ptm) cc_final: 0.7035 (pmm) REVERT: JJ 12 LYS cc_start: 0.8923 (mptt) cc_final: 0.8717 (mptt) REVERT: JM 1 MET cc_start: 0.7887 (ptm) cc_final: 0.7580 (ptt) REVERT: JO 1 MET cc_start: 0.7078 (ppp) cc_final: 0.5796 (ppp) REVERT: JQ 11 PHE cc_start: 0.7623 (m-10) cc_final: 0.7412 (m-10) REVERT: JS 1 MET cc_start: 0.6779 (ppp) cc_final: 0.5996 (ppp) REVERT: JT 1 MET cc_start: 0.7456 (tmm) cc_final: 0.6394 (tmm) REVERT: JT 9 LYS cc_start: 0.9150 (tmtt) cc_final: 0.8877 (mmmm) REVERT: JV 11 PHE cc_start: 0.8182 (m-80) cc_final: 0.7979 (m-80) REVERT: JW 1 MET cc_start: 0.5851 (ppp) cc_final: 0.5576 (pmm) REVERT: JX 1 MET cc_start: 0.7796 (tmm) cc_final: 0.6535 (tmm) REVERT: JY 12 LYS cc_start: 0.9118 (tttm) cc_final: 0.8890 (pttm) REVERT: J0 1 MET cc_start: 0.5656 (ppp) cc_final: 0.5120 (ppp) REVERT: J0 8 PHE cc_start: 0.8110 (t80) cc_final: 0.7449 (t80) REVERT: J2 1 MET cc_start: 0.7131 (ptm) cc_final: 0.6779 (ptt) REVERT: J2 6 LYS cc_start: 0.9477 (mmmm) cc_final: 0.9223 (mmmm) REVERT: J4 1 MET cc_start: 0.7245 (ppp) cc_final: 0.6176 (ppp) REVERT: J4 8 PHE cc_start: 0.8325 (t80) cc_final: 0.8123 (t80) REVERT: KD 1 MET cc_start: 0.7827 (tmm) cc_final: 0.6730 (tmm) REVERT: KE 1 MET cc_start: 0.6512 (ptm) cc_final: 0.5730 (ptt) REVERT: KE 21 ASN cc_start: 0.7027 (m-40) cc_final: 0.6819 (t0) REVERT: KH 1 MET cc_start: 0.7414 (tmm) cc_final: 0.5958 (tmm) REVERT: KH 4 VAL cc_start: 0.9185 (t) cc_final: 0.8624 (p) REVERT: KI 1 MET cc_start: 0.7106 (ptm) cc_final: 0.6847 (ptt) REVERT: KL 1 MET cc_start: 0.8103 (tmm) cc_final: 0.6992 (tmm) REVERT: KP 1 MET cc_start: 0.7677 (tmm) cc_final: 0.6401 (tmm) REVERT: KQ 12 LYS cc_start: 0.9202 (tttm) cc_final: 0.8802 (tptp) REVERT: KR 12 LYS cc_start: 0.8546 (mptt) cc_final: 0.8207 (mmtt) REVERT: KT 1 MET cc_start: 0.7270 (tmm) cc_final: 0.6012 (tmm) REVERT: KT 4 VAL cc_start: 0.9125 (t) cc_final: 0.8841 (t) REVERT: KU 1 MET cc_start: 0.7368 (ptm) cc_final: 0.7129 (ptp) REVERT: KW 1 MET cc_start: 0.7132 (ppp) cc_final: 0.6751 (ppp) REVERT: KY 9 LYS cc_start: 0.8975 (ttmm) cc_final: 0.8389 (tppt) REVERT: KZ 12 LYS cc_start: 0.8638 (mptt) cc_final: 0.8145 (mmtp) REVERT: K2 9 LYS cc_start: 0.8851 (ttmm) cc_final: 0.8236 (tppt) REVERT: K4 1 MET cc_start: 0.6404 (ppp) cc_final: 0.5558 (ppp) REVERT: K5 1 MET cc_start: 0.7964 (tmm) cc_final: 0.6864 (tmm) REVERT: K7 13 ASP cc_start: 0.8271 (t0) cc_final: 0.7958 (t0) REVERT: K8 1 MET cc_start: 0.7750 (ppp) cc_final: 0.6603 (ppp) REVERT: K9 1 MET cc_start: 0.7757 (tmm) cc_final: 0.6518 (tmm) REVERT: K9 4 VAL cc_start: 0.9260 (t) cc_final: 0.8890 (t) REVERT: K9 9 LYS cc_start: 0.9291 (tmtt) cc_final: 0.9073 (tppp) REVERT: LA 1 MET cc_start: 0.7297 (ptm) cc_final: 0.6371 (ptt) REVERT: LD 1 MET cc_start: 0.7256 (tmm) cc_final: 0.6127 (tmm) REVERT: LE 1 MET cc_start: 0.5909 (ptm) cc_final: 0.5143 (ptp) REVERT: LG 8 PHE cc_start: 0.7319 (t80) cc_final: 0.6952 (t80) REVERT: LI 1 MET cc_start: 0.5604 (ptm) cc_final: 0.5299 (ptt) REVERT: LI 2 GLU cc_start: 0.8510 (pp20) cc_final: 0.7803 (tm-30) REVERT: LK 1 MET cc_start: 0.6298 (ppp) cc_final: 0.5946 (pmm) REVERT: LL 1 MET cc_start: 0.7498 (tmm) cc_final: 0.6111 (tmm) REVERT: LL 4 VAL cc_start: 0.9033 (t) cc_final: 0.8638 (t) REVERT: LL 14 LEU cc_start: 0.9047 (tp) cc_final: 0.8825 (tp) REVERT: LM 1 MET cc_start: 0.7550 (ptm) cc_final: 0.6986 (ptp) REVERT: LO 1 MET cc_start: 0.7508 (ppp) cc_final: 0.6762 (ppp) REVERT: LQ 1 MET cc_start: 0.6821 (ptm) cc_final: 0.6545 (ptt) REVERT: LT 14 LEU cc_start: 0.9148 (tp) cc_final: 0.8866 (tt) REVERT: LU 1 MET cc_start: 0.5744 (ptm) cc_final: 0.5176 (ptp) REVERT: LU 12 LYS cc_start: 0.9071 (tttm) cc_final: 0.8837 (tptp) REVERT: LW 1 MET cc_start: 0.7620 (ppp) cc_final: 0.7267 (ppp) REVERT: LX 1 MET cc_start: 0.7448 (tmm) cc_final: 0.6098 (tmm) REVERT: LY 1 MET cc_start: 0.7245 (ptm) cc_final: 0.6748 (ptp) REVERT: LY 17 LYS cc_start: 0.8997 (ttmm) cc_final: 0.8742 (tmtt) REVERT: L0 1 MET cc_start: 0.7435 (ppp) cc_final: 0.6758 (ppp) REVERT: L1 1 MET cc_start: 0.7332 (tmm) cc_final: 0.6533 (tmm) REVERT: L2 9 LYS cc_start: 0.9011 (ttmm) cc_final: 0.8698 (tppt) REVERT: L2 11 PHE cc_start: 0.7865 (m-10) cc_final: 0.7510 (m-10) REVERT: L4 1 MET cc_start: 0.7140 (ppp) cc_final: 0.5661 (ppp) REVERT: L5 1 MET cc_start: 0.7159 (tmm) cc_final: 0.5564 (tmm) REVERT: L6 1 MET cc_start: 0.6622 (ptm) cc_final: 0.5886 (pmm) REVERT: L8 1 MET cc_start: 0.6436 (ppp) cc_final: 0.6094 (ppp) REVERT: MB 2 GLU cc_start: 0.7718 (pp20) cc_final: 0.7495 (tp30) REVERT: MB 12 LYS cc_start: 0.8895 (mptt) cc_final: 0.8682 (mptt) REVERT: MC 1 MET cc_start: 0.7118 (ppp) cc_final: 0.6592 (pmm) REVERT: MG 1 MET cc_start: 0.6779 (ppp) cc_final: 0.5934 (ppp) REVERT: MH 1 MET cc_start: 0.7076 (tmm) cc_final: 0.5772 (tmm) REVERT: MJ 9 LYS cc_start: 0.9015 (tptp) cc_final: 0.7860 (tppt) REVERT: ML 1 MET cc_start: 0.7662 (tmm) cc_final: 0.6492 (tmm) REVERT: ML 4 VAL cc_start: 0.9230 (t) cc_final: 0.8734 (p) REVERT: MM 1 MET cc_start: 0.7514 (ptm) cc_final: 0.6962 (ptp) REVERT: MP 1 MET cc_start: 0.7246 (tmm) cc_final: 0.5900 (tmm) REVERT: MP 4 VAL cc_start: 0.9287 (t) cc_final: 0.9030 (t) REVERT: MP 9 LYS cc_start: 0.9228 (tmtt) cc_final: 0.8941 (tptt) REVERT: MQ 1 MET cc_start: 0.7515 (ptm) cc_final: 0.7205 (ptt) REVERT: MQ 11 PHE cc_start: 0.8566 (m-10) cc_final: 0.8286 (m-80) REVERT: MR 11 PHE cc_start: 0.8266 (m-80) cc_final: 0.8024 (m-10) REVERT: MS 1 MET cc_start: 0.7778 (ppp) cc_final: 0.7542 (ppp) REVERT: MT 1 MET cc_start: 0.7939 (tmm) cc_final: 0.6673 (tmm) REVERT: MX 9 LYS cc_start: 0.9206 (tmtt) cc_final: 0.8893 (mtmt) REVERT: MY 9 LYS cc_start: 0.8901 (ttmm) cc_final: 0.8469 (mtmm) REVERT: M0 1 MET cc_start: 0.6684 (ppp) cc_final: 0.6059 (pmm) REVERT: M4 1 MET cc_start: 0.6154 (ppp) cc_final: 0.4978 (ppp) REVERT: M5 1 MET cc_start: 0.7128 (tmm) cc_final: 0.5898 (tmm) REVERT: M5 4 VAL cc_start: 0.9123 (t) cc_final: 0.8887 (t) REVERT: M5 9 LYS cc_start: 0.9113 (tmtt) cc_final: 0.8679 (mmmm) REVERT: M8 1 MET cc_start: 0.6861 (ppp) cc_final: 0.5951 (pmm) REVERT: M9 1 MET cc_start: 0.7766 (tmm) cc_final: 0.6398 (tmm) REVERT: M9 4 VAL cc_start: 0.9051 (t) cc_final: 0.8722 (p) REVERT: NE 12 LYS cc_start: 0.9150 (tttm) cc_final: 0.8792 (ttmm) REVERT: NG 1 MET cc_start: 0.7099 (ppp) cc_final: 0.5906 (ppp) REVERT: NH 1 MET cc_start: 0.7611 (tmm) cc_final: 0.6726 (tmm) REVERT: NP 1 MET cc_start: 0.7886 (tmm) cc_final: 0.6999 (tmm) REVERT: NQ 1 MET cc_start: 0.6343 (ptm) cc_final: 0.5762 (ptt) REVERT: NU 1 MET cc_start: 0.6960 (ptm) cc_final: 0.6508 (ptt) REVERT: NY 1 MET cc_start: 0.7385 (ptm) cc_final: 0.7048 (ptt) REVERT: N0 8 PHE cc_start: 0.8113 (t80) cc_final: 0.7287 (t80) REVERT: N2 11 PHE cc_start: 0.7965 (m-10) cc_final: 0.7716 (m-10) REVERT: N2 12 LYS cc_start: 0.9176 (tttm) cc_final: 0.8859 (tptp) REVERT: N3 12 LYS cc_start: 0.8628 (mptt) cc_final: 0.8164 (mmtt) REVERT: N4 1 MET cc_start: 0.7568 (ppp) cc_final: 0.7203 (ppp) REVERT: N5 1 MET cc_start: 0.7292 (tmm) cc_final: 0.5984 (tmm) REVERT: N5 9 LYS cc_start: 0.9170 (tmtt) cc_final: 0.8965 (tptp) REVERT: N8 1 MET cc_start: 0.7156 (ppp) cc_final: 0.6288 (ppp) REVERT: N9 1 MET cc_start: 0.7709 (tmm) cc_final: 0.6410 (tmm) REVERT: OA 9 LYS cc_start: 0.9084 (ttmm) cc_final: 0.8447 (tppt) REVERT: OA 12 LYS cc_start: 0.9138 (tttm) cc_final: 0.8921 (tptt) REVERT: OC 8 PHE cc_start: 0.8204 (t80) cc_final: 0.7887 (t80) REVERT: OG 1 MET cc_start: 0.6429 (ppp) cc_final: 0.5359 (ppp) REVERT: OH 1 MET cc_start: 0.7996 (tmm) cc_final: 0.6887 (tmm) REVERT: OH 4 VAL cc_start: 0.9201 (t) cc_final: 0.9000 (t) REVERT: OI 9 LYS cc_start: 0.9118 (ttmm) cc_final: 0.8707 (tppt) REVERT: OK 1 MET cc_start: 0.7587 (ppp) cc_final: 0.6311 (ppp) REVERT: OL 9 LYS cc_start: 0.9314 (tmtt) cc_final: 0.9026 (tptm) REVERT: OM 1 MET cc_start: 0.7116 (ptm) cc_final: 0.6042 (ptt) REVERT: OO 8 PHE cc_start: 0.7739 (t80) cc_final: 0.7394 (t80) REVERT: OP 1 MET cc_start: 0.7622 (tmm) cc_final: 0.6429 (tmm) REVERT: OQ 1 MET cc_start: 0.6324 (ptm) cc_final: 0.5368 (ptp) REVERT: OT 1 MET cc_start: 0.7696 (tmm) cc_final: 0.6647 (tmm) REVERT: OW 1 MET cc_start: 0.6595 (ppp) cc_final: 0.5927 (pmm) REVERT: OX 1 MET cc_start: 0.7519 (tmm) cc_final: 0.6638 (tmm) REVERT: OY 1 MET cc_start: 0.7276 (ptm) cc_final: 0.6833 (ptt) REVERT: O0 1 MET cc_start: 0.7570 (ppp) cc_final: 0.6325 (ppp) REVERT: O1 1 MET cc_start: 0.6782 (tmm) cc_final: 0.6072 (tmm) REVERT: O3 12 LYS cc_start: 0.7842 (mptt) cc_final: 0.7328 (mmtt) REVERT: O5 14 LEU cc_start: 0.9079 (tp) cc_final: 0.8805 (tt) REVERT: O6 1 MET cc_start: 0.5975 (ptm) cc_final: 0.5498 (ptt) REVERT: O8 1 MET cc_start: 0.7431 (ppp) cc_final: 0.7003 (ppp) REVERT: PA 1 MET cc_start: 0.7035 (ptm) cc_final: 0.6546 (ptp) REVERT: PA 12 LYS cc_start: 0.9202 (tttm) cc_final: 0.8906 (tmtt) REVERT: PB 12 LYS cc_start: 0.8263 (mptt) cc_final: 0.8052 (ttmm) REVERT: PC 1 MET cc_start: 0.7423 (ppp) cc_final: 0.7065 (ppp) REVERT: PD 1 MET cc_start: 0.7517 (tmm) cc_final: 0.6655 (tmm) REVERT: PE 9 LYS cc_start: 0.9062 (ttmm) cc_final: 0.8766 (mttp) REVERT: PG 1 MET cc_start: 0.7379 (ppp) cc_final: 0.6124 (ppp) REVERT: PH 1 MET cc_start: 0.7481 (tmm) cc_final: 0.6057 (tmm) REVERT: PI 1 MET cc_start: 0.6722 (ptm) cc_final: 0.6047 (pmm) REVERT: PO 1 MET cc_start: 0.7068 (ppp) cc_final: 0.6867 (pmm) REVERT: PQ 1 MET cc_start: 0.7140 (ptm) cc_final: 0.6537 (pmm) REVERT: PS 1 MET cc_start: 0.6691 (ppp) cc_final: 0.6094 (ppp) REVERT: PU 1 MET cc_start: 0.7710 (ptm) cc_final: 0.7429 (ptp) REVERT: PX 1 MET cc_start: 0.7338 (tmm) cc_final: 0.6096 (tmm) REVERT: PX 4 VAL cc_start: 0.9272 (t) cc_final: 0.8774 (t) REVERT: PY 1 MET cc_start: 0.7529 (ptm) cc_final: 0.6931 (ptp) REVERT: P1 1 MET cc_start: 0.7525 (tmm) cc_final: 0.6359 (tmm) REVERT: P1 4 VAL cc_start: 0.9271 (t) cc_final: 0.8889 (t) REVERT: P2 1 MET cc_start: 0.7476 (ptm) cc_final: 0.7091 (ptp) REVERT: P6 1 MET cc_start: 0.7519 (ptm) cc_final: 0.7217 (pmm) REVERT: P8 1 MET cc_start: 0.6751 (ppp) cc_final: 0.6246 (ppp) REVERT: QB 12 LYS cc_start: 0.8197 (mptt) cc_final: 0.7795 (ttmm) REVERT: QC 8 PHE cc_start: 0.8299 (t80) cc_final: 0.7998 (t80) REVERT: QG 1 MET cc_start: 0.6621 (ppp) cc_final: 0.5839 (ppp) REVERT: QH 1 MET cc_start: 0.7176 (tmm) cc_final: 0.6248 (tmm) REVERT: QH 4 VAL cc_start: 0.9053 (t) cc_final: 0.8792 (t) REVERT: QH 9 LYS cc_start: 0.9097 (tmtt) cc_final: 0.8809 (mmmm) REVERT: QK 1 MET cc_start: 0.6123 (ppp) cc_final: 0.5841 (pmm) REVERT: QL 1 MET cc_start: 0.7717 (tmm) cc_final: 0.6377 (tmm) REVERT: QL 4 VAL cc_start: 0.9082 (t) cc_final: 0.8764 (t) REVERT: QN 12 LYS cc_start: 0.8483 (mptt) cc_final: 0.8216 (mmtt) REVERT: QP 1 MET cc_start: 0.7312 (tmm) cc_final: 0.5997 (tmm) REVERT: QP 4 VAL cc_start: 0.9252 (t) cc_final: 0.9009 (t) REVERT: QQ 1 MET cc_start: 0.7179 (ptm) cc_final: 0.6885 (ptt) REVERT: QQ 6 LYS cc_start: 0.9474 (mmmm) cc_final: 0.9255 (mmmm) REVERT: QR 11 PHE cc_start: 0.8116 (m-80) cc_final: 0.7760 (m-10) REVERT: QS 1 MET cc_start: 0.7166 (ppp) cc_final: 0.6906 (ppp) REVERT: QU 1 MET cc_start: 0.8246 (ptm) cc_final: 0.7242 (pmm) REVERT: Q1 4 VAL cc_start: 0.9290 (t) cc_final: 0.8961 (t) REVERT: Q1 14 LEU cc_start: 0.9063 (tp) cc_final: 0.8819 (tt) REVERT: Q2 1 MET cc_start: 0.6467 (ptm) cc_final: 0.5589 (pmm) REVERT: Q2 9 LYS cc_start: 0.9043 (ttmm) cc_final: 0.8705 (tppt) REVERT: Q5 4 VAL cc_start: 0.9118 (t) cc_final: 0.8914 (p) REVERT: Q6 1 MET cc_start: 0.6872 (ptm) cc_final: 0.6509 (pmm) REVERT: Q9 1 MET cc_start: 0.8148 (tmm) cc_final: 0.7926 (ttp) REVERT: RA 1 MET cc_start: 0.7461 (ptm) cc_final: 0.7249 (ptp) REVERT: RC 8 PHE cc_start: 0.8093 (t80) cc_final: 0.7879 (t80) REVERT: RE 11 PHE cc_start: 0.8110 (m-10) cc_final: 0.7879 (m-10) REVERT: RE 12 LYS cc_start: 0.9057 (tttm) cc_final: 0.8831 (tptp) REVERT: RH 9 LYS cc_start: 0.9196 (tmtt) cc_final: 0.8944 (tptp) REVERT: RK 1 MET cc_start: 0.6953 (ppp) cc_final: 0.5924 (ppp) REVERT: RM 9 LYS cc_start: 0.8874 (ttmm) cc_final: 0.8263 (tppt) REVERT: RM 12 LYS cc_start: 0.9297 (tttm) cc_final: 0.9065 (tptt) REVERT: RN 12 LYS cc_start: 0.8718 (mptt) cc_final: 0.7810 (mmtp) REVERT: RP 1 MET cc_start: 0.7532 (tmm) cc_final: 0.6777 (ttp) REVERT: RS 1 MET cc_start: 0.6435 (ppp) cc_final: 0.5777 (ppp) REVERT: RT 1 MET cc_start: 0.7873 (tmm) cc_final: 0.6633 (tmm) REVERT: RW 1 MET cc_start: 0.7129 (ppp) cc_final: 0.5943 (ppp) REVERT: RX 1 MET cc_start: 0.7497 (tmm) cc_final: 0.6388 (tmm) REVERT: RX 4 VAL cc_start: 0.9301 (t) cc_final: 0.9083 (t) REVERT: RY 1 MET cc_start: 0.6762 (ptm) cc_final: 0.5935 (pmm) REVERT: R1 1 MET cc_start: 0.7345 (tmm) cc_final: 0.6550 (tmm) REVERT: R2 1 MET cc_start: 0.5900 (ptm) cc_final: 0.5371 (ptp) REVERT: R5 1 MET cc_start: 0.7398 (tmm) cc_final: 0.6387 (tmm) REVERT: R5 4 VAL cc_start: 0.9242 (t) cc_final: 0.8979 (t) REVERT: R6 2 GLU cc_start: 0.8495 (pp20) cc_final: 0.8020 (tm-30) REVERT: R8 1 MET cc_start: 0.6598 (ppp) cc_final: 0.5935 (pmm) REVERT: R9 1 MET cc_start: 0.7653 (tmm) cc_final: 0.6492 (tmm) REVERT: R9 4 VAL cc_start: 0.9110 (t) cc_final: 0.8634 (t) REVERT: SA 1 MET cc_start: 0.7448 (ptm) cc_final: 0.6997 (pmm) REVERT: SC 1 MET cc_start: 0.7594 (ppp) cc_final: 0.6728 (ppp) REVERT: SE 1 MET cc_start: 0.7048 (ptm) cc_final: 0.5995 (pmm) REVERT: SG 1 MET cc_start: 0.6390 (ppp) cc_final: 0.6037 (pmm) REVERT: SH 1 MET cc_start: 0.6655 (tmm) cc_final: 0.6126 (tmm) REVERT: SH 4 VAL cc_start: 0.8888 (t) cc_final: 0.8440 (t) REVERT: SH 10 PHE cc_start: 0.8607 (t80) cc_final: 0.8373 (t80) REVERT: SI 1 MET cc_start: 0.6025 (ptm) cc_final: 0.4949 (pmm) REVERT: SK 1 MET cc_start: 0.7255 (ppp) cc_final: 0.6475 (ppp) REVERT: SL 1 MET cc_start: 0.6965 (tmm) cc_final: 0.5691 (tmm) REVERT: SL 10 PHE cc_start: 0.8478 (t80) cc_final: 0.8144 (m-10) REVERT: SM 1 MET cc_start: 0.7359 (ptm) cc_final: 0.6922 (ptp) REVERT: SM 17 LYS cc_start: 0.8956 (ttmm) cc_final: 0.8714 (tmtt) REVERT: SN 12 LYS cc_start: 0.8351 (mptt) cc_final: 0.8118 (ttmm) REVERT: SO 1 MET cc_start: 0.7298 (ppp) cc_final: 0.6345 (ppp) REVERT: SO 2 GLU cc_start: 0.8983 (tm-30) cc_final: 0.8664 (tm-30) REVERT: SP 1 MET cc_start: 0.7518 (tmm) cc_final: 0.6419 (tmm) REVERT: SQ 9 LYS cc_start: 0.9066 (ttmm) cc_final: 0.8824 (tppt) REVERT: SR 7 LEU cc_start: 0.8413 (mm) cc_final: 0.7930 (mm) REVERT: SS 1 MET cc_start: 0.7513 (ppp) cc_final: 0.6668 (ppp) REVERT: ST 1 MET cc_start: 0.7490 (tmm) cc_final: 0.6116 (tmm) REVERT: SU 1 MET cc_start: 0.6782 (ptm) cc_final: 0.5824 (pmm) REVERT: SU 11 PHE cc_start: 0.8253 (m-10) cc_final: 0.8005 (m-10) REVERT: SW 1 MET cc_start: 0.6753 (ppp) cc_final: 0.6257 (ppp) REVERT: SX 1 MET cc_start: 0.7508 (tmm) cc_final: 0.5959 (tmm) REVERT: S0 1 MET cc_start: 0.7190 (ppp) cc_final: 0.6769 (pmm) REVERT: S2 1 MET cc_start: 0.7069 (ptm) cc_final: 0.6529 (pmm) REVERT: S4 1 MET cc_start: 0.6800 (ppp) cc_final: 0.5717 (ppp) REVERT: S8 1 MET cc_start: 0.6930 (ppp) cc_final: 0.6501 (pmm) REVERT: S9 1 MET cc_start: 0.7144 (tmm) cc_final: 0.6046 (tmm) REVERT: S9 4 VAL cc_start: 0.9329 (t) cc_final: 0.8830 (t) REVERT: TA 1 MET cc_start: 0.7619 (ptm) cc_final: 0.6158 (pmm) REVERT: TE 1 MET cc_start: 0.7169 (ptm) cc_final: 0.6866 (ptt) REVERT: TG 1 MET cc_start: 0.7490 (ppp) cc_final: 0.7235 (ppp) REVERT: TH 1 MET cc_start: 0.7586 (tmm) cc_final: 0.6028 (tmm) REVERT: TH 4 VAL cc_start: 0.9313 (t) cc_final: 0.9091 (t) REVERT: TI 1 MET cc_start: 0.7501 (ptm) cc_final: 0.7299 (pmm) REVERT: TJ 13 ASP cc_start: 0.7613 (t0) cc_final: 0.7395 (t0) REVERT: TK 1 MET cc_start: 0.6321 (ppp) cc_final: 0.5713 (ppp) REVERT: TL 9 LYS cc_start: 0.9300 (tmtt) cc_final: 0.8900 (mtmt) REVERT: TO 1 MET cc_start: 0.7146 (ppp) cc_final: 0.6239 (ppp) REVERT: TP 1 MET cc_start: 0.7075 (tmm) cc_final: 0.5782 (tmm) REVERT: TP 4 VAL cc_start: 0.9340 (t) cc_final: 0.9077 (t) REVERT: TS 1 MET cc_start: 0.6808 (ppp) cc_final: 0.5820 (ppp) REVERT: TT 4 VAL cc_start: 0.9136 (t) cc_final: 0.8880 (t) REVERT: TT 9 LYS cc_start: 0.9073 (tmtt) cc_final: 0.8628 (mmmm) REVERT: TW 1 MET cc_start: 0.6108 (ppp) cc_final: 0.5437 (pmm) REVERT: TX 1 MET cc_start: 0.7644 (tmm) cc_final: 0.6172 (tmm) REVERT: T2 1 MET cc_start: 0.6999 (ptm) cc_final: 0.6629 (ptt) REVERT: T5 1 MET cc_start: 0.7896 (tmm) cc_final: 0.6632 (tmm) REVERT: UD 1 MET cc_start: 0.8107 (tmm) cc_final: 0.7119 (tmm) REVERT: UD 14 LEU cc_start: 0.9026 (tp) cc_final: 0.8818 (tt) REVERT: UE 1 MET cc_start: 0.6767 (ptm) cc_final: 0.6069 (pmm) REVERT: UH 1 MET cc_start: 0.7593 (tmm) cc_final: 0.6323 (tmm) REVERT: UH 4 VAL cc_start: 0.9157 (t) cc_final: 0.8934 (t) REVERT: UI 1 MET cc_start: 0.6868 (ptm) cc_final: 0.6530 (pmm) REVERT: UK 1 MET cc_start: 0.7110 (ppp) cc_final: 0.6527 (ppp) REVERT: UL 1 MET cc_start: 0.8115 (tmm) cc_final: 0.6951 (tmm) REVERT: UM 1 MET cc_start: 0.7236 (ptm) cc_final: 0.6926 (ptp) REVERT: UO 1 MET cc_start: 0.6956 (ppp) cc_final: 0.5732 (ppp) REVERT: UO 8 PHE cc_start: 0.8104 (t80) cc_final: 0.7402 (t80) REVERT: UQ 12 LYS cc_start: 0.9226 (tttm) cc_final: 0.8892 (tptp) REVERT: UQ 13 ASP cc_start: 0.8841 (t0) cc_final: 0.8564 (t0) REVERT: US 1 MET cc_start: 0.7818 (ppp) cc_final: 0.7456 (ppp) REVERT: UU 7 LEU cc_start: 0.9079 (tt) cc_final: 0.8827 (tt) REVERT: UX 9 LYS cc_start: 0.9043 (tmtt) cc_final: 0.8601 (mtmt) REVERT: UY 9 LYS cc_start: 0.8986 (ttmm) cc_final: 0.8481 (tppt) REVERT: UZ 12 LYS cc_start: 0.8639 (mptt) cc_final: 0.8075 (mmtp) REVERT: U0 8 PHE cc_start: 0.8216 (t80) cc_final: 0.7945 (t80) REVERT: U2 1 MET cc_start: 0.7157 (ptm) cc_final: 0.6940 (ptt) REVERT: U4 1 MET cc_start: 0.6357 (ppp) cc_final: 0.5194 (ppp) REVERT: U6 9 LYS cc_start: 0.9196 (ttmm) cc_final: 0.8729 (tptp) REVERT: U7 13 ASP cc_start: 0.8046 (t0) cc_final: 0.7561 (t0) REVERT: U8 1 MET cc_start: 0.7689 (ppp) cc_final: 0.6908 (ppp) REVERT: U9 1 MET cc_start: 0.7669 (tmm) cc_final: 0.6221 (tmm) REVERT: U9 4 VAL cc_start: 0.9221 (t) cc_final: 0.8779 (t) REVERT: VA 1 MET cc_start: 0.7081 (ptm) cc_final: 0.6041 (pmm) REVERT: VD 1 MET cc_start: 0.7555 (tmm) cc_final: 0.6325 (tmm) REVERT: VE 1 MET cc_start: 0.6187 (ptm) cc_final: 0.5526 (ptp) REVERT: VG 1 MET cc_start: 0.6401 (ppp) cc_final: 0.4813 (ppp) REVERT: VH 1 MET cc_start: 0.7328 (tmm) cc_final: 0.6128 (tmm) REVERT: VH 4 VAL cc_start: 0.9197 (t) cc_final: 0.8805 (t) REVERT: VI 1 MET cc_start: 0.5729 (ptm) cc_final: 0.5336 (pmm) REVERT: VI 2 GLU cc_start: 0.8204 (pp20) cc_final: 0.7682 (tm-30) REVERT: VK 1 MET cc_start: 0.6657 (ppp) cc_final: 0.6286 (ppp) REVERT: VL 1 MET cc_start: 0.7501 (tmm) cc_final: 0.6547 (tmm) REVERT: VO 1 MET cc_start: 0.7191 (ppp) cc_final: 0.6075 (ppp) REVERT: VQ 1 MET cc_start: 0.6547 (ptm) cc_final: 0.5500 (pmm) REVERT: VR 12 LYS cc_start: 0.7653 (mptt) cc_final: 0.7101 (mptt) REVERT: VU 1 MET cc_start: 0.6027 (ptm) cc_final: 0.4791 (pmm) REVERT: VU 12 LYS cc_start: 0.9171 (tttm) cc_final: 0.8906 (tptp) outliers start: 0 outliers final: 0 residues processed: 5889 average time/residue: 1.3778 time to fit residues: 13805.3528 Evaluate side-chains 4131 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4131 time to evaluate : 13.333 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1418 optimal weight: 10.0000 chunk 1273 optimal weight: 0.9980 chunk 706 optimal weight: 5.9990 chunk 434 optimal weight: 7.9990 chunk 858 optimal weight: 9.9990 chunk 680 optimal weight: 0.4980 chunk 1316 optimal weight: 0.4980 chunk 509 optimal weight: 7.9990 chunk 800 optimal weight: 0.9980 chunk 980 optimal weight: 6.9990 chunk 1525 optimal weight: 4.9990 overall best weight: 1.5982 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: H 21 ASN AZ 21 ASN BZ 21 ASN CT 21 ASN FB 21 ASN IN 21 ASN JH 21 ASN JI 21 ASN K5 21 ASN MT 21 ASN PB 21 ASN P5 21 ASN RT 21 ASN TH 21 ASN Total number of N/Q/H flips: 14 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7996 moved from start: 0.4636 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.035 151200 Z= 0.204 Angle : 0.579 9.955 198240 Z= 0.291 Chirality : 0.028 0.178 20160 Planarity : 0.003 0.013 23520 Dihedral : 4.816 19.665 16800 Min Nonbonded Distance : 2.141 Molprobity Statistics. All-atom Clashscore : 16.81 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.21 % Favored : 99.79 % Rotamer: Outliers : 0.00 % Allowed : 8.31 % Favored : 91.69 % 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: 1.78 (0.06), residues: 15960 helix: 1.91 (0.04), residues: 13020 sheet: None (None), residues: 0 loop : -2.27 (0.09), residues: 2940 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.027 0.002 PHEPV 11 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5506 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 5506 time to evaluate : 13.345 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: A 8 PHE cc_start: 0.8207 (t80) cc_final: 0.7789 (t80) REVERT: C 1 MET cc_start: 0.6475 (ptm) cc_final: 0.5780 (ptp) REVERT: C 6 LYS cc_start: 0.9353 (mmmm) cc_final: 0.9146 (mmmm) REVERT: C 12 LYS cc_start: 0.9224 (tttm) cc_final: 0.8820 (ttmt) REVERT: E 1 MET cc_start: 0.7111 (ppp) cc_final: 0.6684 (ppp) REVERT: F 1 MET cc_start: 0.7500 (tmm) cc_final: 0.6447 (tmm) REVERT: G 1 MET cc_start: 0.7265 (ptm) cc_final: 0.6905 (ptp) REVERT: G 13 ASP cc_start: 0.8885 (m-30) cc_final: 0.8544 (m-30) REVERT: G 17 LYS cc_start: 0.9025 (ttmm) cc_final: 0.8476 (tmtt) REVERT: H 6 LYS cc_start: 0.6440 (tmtt) cc_final: 0.5715 (tttt) REVERT: I 1 MET cc_start: 0.6956 (ppp) cc_final: 0.6638 (ppp) REVERT: I 2 GLU cc_start: 0.9115 (tm-30) cc_final: 0.8779 (tm-30) REVERT: J 1 MET cc_start: 0.7917 (tmm) cc_final: 0.6720 (tmm) REVERT: K 11 PHE cc_start: 0.7633 (m-80) cc_final: 0.6793 (m-80) REVERT: K 13 ASP cc_start: 0.8967 (m-30) cc_final: 0.8479 (m-30) REVERT: M 1 MET cc_start: 0.7362 (ppp) cc_final: 0.6863 (ppp) REVERT: N 1 MET cc_start: 0.7570 (tmm) cc_final: 0.6645 (tmm) REVERT: N 10 PHE cc_start: 0.8870 (t80) cc_final: 0.8401 (t80) REVERT: O 1 MET cc_start: 0.6536 (ptm) cc_final: 0.5785 (pmm) REVERT: P 13 ASP cc_start: 0.7424 (t0) cc_final: 0.7145 (t0) REVERT: R 1 MET cc_start: 0.7887 (tmm) cc_final: 0.6369 (tmm) REVERT: S 12 LYS cc_start: 0.8757 (tttm) cc_final: 0.8491 (tppt) REVERT: V 1 MET cc_start: 0.8057 (tmm) cc_final: 0.6623 (tmm) REVERT: X 12 LYS cc_start: 0.8460 (mmtt) cc_final: 0.8060 (tptt) REVERT: Y 1 MET cc_start: 0.7475 (ppp) cc_final: 0.6956 (ppp) REVERT: Z 1 MET cc_start: 0.7561 (tmm) cc_final: 0.6263 (tmm) REVERT: 0 1 MET cc_start: 0.7946 (ptm) cc_final: 0.7460 (ptp) REVERT: 1 9 LYS cc_start: 0.9143 (tppt) cc_final: 0.8321 (tppt) REVERT: 2 10 PHE cc_start: 0.8941 (t80) cc_final: 0.8706 (t80) REVERT: 3 1 MET cc_start: 0.7803 (tmm) cc_final: 0.6673 (tmm) REVERT: 4 1 MET cc_start: 0.7505 (ptm) cc_final: 0.6847 (ptp) REVERT: 4 11 PHE cc_start: 0.8145 (m-10) cc_final: 0.7927 (m-80) REVERT: 4 12 LYS cc_start: 0.9345 (pttm) cc_final: 0.9098 (pttp) REVERT: 7 1 MET cc_start: 0.7556 (tmm) cc_final: 0.6736 (tmm) REVERT: 9 12 LYS cc_start: 0.8995 (pttm) cc_final: 0.8773 (ttmm) REVERT: b 1 MET cc_start: 0.8357 (tmm) cc_final: 0.7130 (tmm) REVERT: d 9 LYS cc_start: 0.9204 (tptp) cc_final: 0.8978 (tppt) REVERT: f 1 MET cc_start: 0.8179 (tmm) cc_final: 0.6820 (tmm) REVERT: i 1 MET cc_start: 0.6500 (ppp) cc_final: 0.6069 (ppp) REVERT: j 10 PHE cc_start: 0.8830 (t80) cc_final: 0.8608 (t80) REVERT: k 1 MET cc_start: 0.8484 (ptm) cc_final: 0.8013 (ptt) REVERT: n 1 MET cc_start: 0.7835 (tmm) cc_final: 0.7214 (tmm) REVERT: n 9 LYS cc_start: 0.8961 (tmtt) cc_final: 0.8755 (mmmm) REVERT: o 18 PHE cc_start: 0.8314 (t80) cc_final: 0.8108 (t80) REVERT: q 1 MET cc_start: 0.6770 (ppp) cc_final: 0.6435 (pmm) REVERT: r 1 MET cc_start: 0.8003 (tmm) cc_final: 0.6586 (tmm) REVERT: s 12 LYS cc_start: 0.9249 (pttp) cc_final: 0.8897 (pttm) REVERT: v 1 MET cc_start: 0.8260 (tmm) cc_final: 0.6746 (tmm) REVERT: z 1 MET cc_start: 0.7952 (tmm) cc_final: 0.6745 (tmm) REVERT: AA 1 MET cc_start: 0.5138 (ptm) cc_final: 0.4352 (pmm) REVERT: AB 12 LYS cc_start: 0.8451 (mptt) cc_final: 0.8083 (mmtt) REVERT: AC 1 MET cc_start: 0.7101 (ppp) cc_final: 0.6893 (ppp) REVERT: AC 8 PHE cc_start: 0.8073 (t80) cc_final: 0.7806 (t80) REVERT: AD 1 MET cc_start: 0.8321 (tmm) cc_final: 0.7260 (tmm) REVERT: AE 1 MET cc_start: 0.6672 (ptm) cc_final: 0.5497 (pmm) REVERT: AH 1 MET cc_start: 0.7638 (tmm) cc_final: 0.5981 (tmm) REVERT: AJ 13 ASP cc_start: 0.8066 (t0) cc_final: 0.7824 (t0) REVERT: AL 1 MET cc_start: 0.8300 (tmm) cc_final: 0.7116 (tmm) REVERT: AO 8 PHE cc_start: 0.8343 (t80) cc_final: 0.8142 (t80) REVERT: AP 1 MET cc_start: 0.8016 (tmm) cc_final: 0.6719 (tmm) REVERT: AQ 12 LYS cc_start: 0.9227 (tttm) cc_final: 0.8950 (tptp) REVERT: AS 8 PHE cc_start: 0.7981 (t80) cc_final: 0.7728 (t80) REVERT: AT 1 MET cc_start: 0.7238 (tmm) cc_final: 0.5617 (tmm) REVERT: AX 1 MET cc_start: 0.8266 (tmm) cc_final: 0.6733 (tmm) REVERT: AY 1 MET cc_start: 0.6529 (ptm) cc_final: 0.5686 (pmm) REVERT: AY 6 LYS cc_start: 0.9196 (mtpp) cc_final: 0.8970 (mtmm) REVERT: AY 9 LYS cc_start: 0.8910 (ttmm) cc_final: 0.8628 (ptpp) REVERT: AY 13 ASP cc_start: 0.8854 (m-30) cc_final: 0.8362 (m-30) REVERT: AZ 12 LYS cc_start: 0.8797 (mptt) cc_final: 0.8481 (mppt) REVERT: A1 1 MET cc_start: 0.7791 (tmm) cc_final: 0.6376 (tmm) REVERT: A4 1 MET cc_start: 0.6355 (ppp) cc_final: 0.5736 (ppp) REVERT: A5 1 MET cc_start: 0.8064 (tmm) cc_final: 0.6759 (tmm) REVERT: A6 1 MET cc_start: 0.6968 (ptm) cc_final: 0.6529 (pmm) REVERT: A8 1 MET cc_start: 0.6574 (ppp) cc_final: 0.6160 (ppp) REVERT: A8 8 PHE cc_start: 0.8316 (t80) cc_final: 0.7354 (t80) REVERT: BA 1 MET cc_start: 0.6585 (ptm) cc_final: 0.5991 (ptp) REVERT: BB 6 LYS cc_start: 0.9236 (tmmt) cc_final: 0.9034 (ttpp) REVERT: BD 1 MET cc_start: 0.7965 (tmm) cc_final: 0.7169 (tmm) REVERT: BE 1 MET cc_start: 0.5985 (ptm) cc_final: 0.5141 (ptp) REVERT: BG 1 MET cc_start: 0.5651 (ppp) cc_final: 0.5044 (ppp) REVERT: BH 1 MET cc_start: 0.7783 (tmm) cc_final: 0.6608 (tmm) REVERT: BK 8 PHE cc_start: 0.8602 (t80) cc_final: 0.8376 (t80) REVERT: BL 9 LYS cc_start: 0.9575 (tmtt) cc_final: 0.9315 (tptp) REVERT: BM 18 PHE cc_start: 0.8828 (t80) cc_final: 0.8347 (t80) REVERT: BP 1 MET cc_start: 0.7105 (tmm) cc_final: 0.6304 (tmm) REVERT: BP 4 VAL cc_start: 0.8920 (t) cc_final: 0.8662 (t) REVERT: BQ 1 MET cc_start: 0.6590 (ptm) cc_final: 0.5208 (pmm) REVERT: BR 12 LYS cc_start: 0.7250 (mptt) cc_final: 0.6652 (tptt) REVERT: BT 1 MET cc_start: 0.6984 (tmm) cc_final: 0.6166 (tmm) REVERT: BT 4 VAL cc_start: 0.9021 (t) cc_final: 0.8633 (t) REVERT: BU 1 MET cc_start: 0.5367 (ptm) cc_final: 0.4198 (pmm) REVERT: BW 1 MET cc_start: 0.7384 (ppp) cc_final: 0.6579 (ppp) REVERT: BX 1 MET cc_start: 0.7505 (tmm) cc_final: 0.6618 (tmm) REVERT: BY 1 MET cc_start: 0.7439 (ptm) cc_final: 0.6749 (ptp) REVERT: BY 17 LYS cc_start: 0.8849 (ttmm) cc_final: 0.8494 (tmtt) REVERT: BZ 6 LYS cc_start: 0.6310 (tmtt) cc_final: 0.5813 (pttt) REVERT: BZ 9 LYS cc_start: 0.9153 (tptp) cc_final: 0.8903 (tptp) REVERT: B0 1 MET cc_start: 0.6914 (ppp) cc_final: 0.6698 (ppp) REVERT: B1 1 MET cc_start: 0.7869 (tmm) cc_final: 0.7027 (tmm) REVERT: B4 1 MET cc_start: 0.7084 (ppp) cc_final: 0.6469 (ppp) REVERT: B5 1 MET cc_start: 0.7463 (tmm) cc_final: 0.5972 (tmm) REVERT: B6 12 LYS cc_start: 0.9512 (pptt) cc_final: 0.9292 (pptt) REVERT: B9 1 MET cc_start: 0.7872 (tmm) cc_final: 0.6401 (tmm) REVERT: CA 18 PHE cc_start: 0.8335 (t80) cc_final: 0.8004 (t80) REVERT: CF 12 LYS cc_start: 0.8270 (mptt) cc_final: 0.8041 (tppt) REVERT: CG 1 MET cc_start: 0.7260 (ppp) cc_final: 0.6824 (ppp) REVERT: CH 1 MET cc_start: 0.7343 (tmm) cc_final: 0.5895 (tmm) REVERT: CI 13 ASP cc_start: 0.8363 (t0) cc_final: 0.7586 (t0) REVERT: CI 17 LYS cc_start: 0.8417 (ttpt) cc_final: 0.8176 (ttpt) REVERT: CM 1 MET cc_start: 0.7729 (ptm) cc_final: 0.6957 (ptp) REVERT: CQ 1 MET cc_start: 0.7637 (ptm) cc_final: 0.7094 (ptp) REVERT: CS 1 MET cc_start: 0.7395 (ppp) cc_final: 0.6719 (ppp) REVERT: CT 1 MET cc_start: 0.7994 (tmm) cc_final: 0.6430 (tmm) REVERT: CX 1 MET cc_start: 0.7955 (tmm) cc_final: 0.6826 (tmm) REVERT: C0 1 MET cc_start: 0.6185 (ppp) cc_final: 0.5072 (pmm) REVERT: C1 1 MET cc_start: 0.7462 (tmm) cc_final: 0.5888 (tmm) REVERT: C3 17 LYS cc_start: 0.8578 (tttt) cc_final: 0.8364 (ptmm) REVERT: C5 1 MET cc_start: 0.7619 (tmm) cc_final: 0.6404 (tmm) REVERT: C6 13 ASP cc_start: 0.8998 (m-30) cc_final: 0.8707 (m-30) REVERT: C6 18 PHE cc_start: 0.8395 (t80) cc_final: 0.8052 (t80) REVERT: C8 1 MET cc_start: 0.6411 (ppp) cc_final: 0.5661 (pmm) REVERT: C9 1 MET cc_start: 0.8100 (tmm) cc_final: 0.6849 (tmm) REVERT: DD 1 MET cc_start: 0.8304 (tmm) cc_final: 0.6891 (tmm) REVERT: DE 1 MET cc_start: 0.6672 (ptm) cc_final: 0.6384 (ptt) REVERT: DE 12 LYS cc_start: 0.9340 (tttm) cc_final: 0.8950 (ttmm) REVERT: DH 1 MET cc_start: 0.8296 (tmm) cc_final: 0.7148 (tmm) REVERT: DI 1 MET cc_start: 0.8354 (ptm) cc_final: 0.7162 (ptp) REVERT: DJ 12 LYS cc_start: 0.8504 (mptt) cc_final: 0.8165 (tppt) REVERT: DL 1 MET cc_start: 0.8251 (tmm) cc_final: 0.6610 (tmm) REVERT: DM 1 MET cc_start: 0.4684 (ptm) cc_final: 0.3874 (pmm) REVERT: DP 1 MET cc_start: 0.8474 (tmm) cc_final: 0.7478 (tmm) REVERT: DQ 1 MET cc_start: 0.6359 (ptm) cc_final: 0.5388 (pmm) REVERT: DQ 13 ASP cc_start: 0.8923 (m-30) cc_final: 0.8556 (m-30) REVERT: DT 1 MET cc_start: 0.7733 (tmm) cc_final: 0.6383 (tmm) REVERT: DU 11 PHE cc_start: 0.8074 (m-10) cc_final: 0.7857 (m-10) REVERT: DV 12 LYS cc_start: 0.8300 (mmtm) cc_final: 0.8067 (tppt) REVERT: DV 13 ASP cc_start: 0.8027 (t0) cc_final: 0.7794 (t0) REVERT: DW 1 MET cc_start: 0.7446 (ppp) cc_final: 0.7025 (ppp) REVERT: DX 1 MET cc_start: 0.8067 (tmm) cc_final: 0.6848 (tmm) REVERT: D0 8 PHE cc_start: 0.8393 (t80) cc_final: 0.7539 (t80) REVERT: D2 12 LYS cc_start: 0.9254 (tttm) cc_final: 0.8909 (tptp) REVERT: D5 1 MET cc_start: 0.7674 (tmm) cc_final: 0.6550 (tmm) REVERT: D5 9 LYS cc_start: 0.9323 (tmtt) cc_final: 0.9057 (tptp) REVERT: D6 1 MET cc_start: 0.7018 (ptm) cc_final: 0.6778 (ptm) REVERT: D6 7 LEU cc_start: 0.9182 (tt) cc_final: 0.8941 (tt) REVERT: D6 9 LYS cc_start: 0.9157 (ttmm) cc_final: 0.8824 (tppt) REVERT: D9 1 MET cc_start: 0.8469 (tmm) cc_final: 0.7154 (tmm) REVERT: D9 9 LYS cc_start: 0.9113 (tmtt) cc_final: 0.8845 (ttmm) REVERT: EC 8 PHE cc_start: 0.8296 (t80) cc_final: 0.7324 (t80) REVERT: ED 1 MET cc_start: 0.7992 (tmm) cc_final: 0.6887 (tmm) REVERT: EE 6 LYS cc_start: 0.9310 (mtpp) cc_final: 0.9003 (mtpt) REVERT: EE 9 LYS cc_start: 0.9121 (ttmm) cc_final: 0.8780 (mtmm) REVERT: EH 1 MET cc_start: 0.8140 (tmm) cc_final: 0.6872 (tmm) REVERT: EL 9 LYS cc_start: 0.9323 (tppp) cc_final: 0.8989 (tppp) REVERT: EM 1 MET cc_start: 0.6684 (ptm) cc_final: 0.5999 (ptp) REVERT: EM 13 ASP cc_start: 0.9144 (m-30) cc_final: 0.8853 (m-30) REVERT: EN 1 MET cc_start: 0.6400 (ptp) cc_final: 0.6041 (ptp) REVERT: EP 1 MET cc_start: 0.7726 (tmm) cc_final: 0.6710 (tmm) REVERT: EQ 1 MET cc_start: 0.5910 (ptm) cc_final: 0.5232 (ptp) REVERT: ES 1 MET cc_start: 0.5714 (ppp) cc_final: 0.5328 (ppp) REVERT: ET 1 MET cc_start: 0.8013 (tmm) cc_final: 0.7039 (tmm) REVERT: EU 1 MET cc_start: 0.6192 (ptm) cc_final: 0.5978 (ptt) REVERT: EX 1 MET cc_start: 0.7919 (tmm) cc_final: 0.7092 (tmm) REVERT: EX 9 LYS cc_start: 0.9553 (tmtt) cc_final: 0.9293 (tptp) REVERT: EY 1 MET cc_start: 0.7205 (ptm) cc_final: 0.6631 (ptp) REVERT: EZ 6 LYS cc_start: 0.9041 (tttt) cc_final: 0.8612 (tttt) REVERT: E0 8 PHE cc_start: 0.7330 (t80) cc_final: 0.7113 (t80) REVERT: E1 1 MET cc_start: 0.6825 (tmm) cc_final: 0.6497 (tmm) REVERT: E1 9 LYS cc_start: 0.9199 (tmtt) cc_final: 0.8841 (ttmm) REVERT: E2 1 MET cc_start: 0.6667 (ptm) cc_final: 0.5372 (pmm) REVERT: E3 12 LYS cc_start: 0.7523 (mptt) cc_final: 0.7135 (tptt) REVERT: E4 2 GLU cc_start: 0.8681 (tm-30) cc_final: 0.8271 (mp0) REVERT: E5 1 MET cc_start: 0.6820 (ttt) cc_final: 0.6219 (tmm) REVERT: E5 4 VAL cc_start: 0.8945 (t) cc_final: 0.8714 (t) REVERT: E6 1 MET cc_start: 0.5140 (ptm) cc_final: 0.4266 (pmm) REVERT: E8 8 PHE cc_start: 0.7955 (t80) cc_final: 0.7682 (t80) REVERT: E9 1 MET cc_start: 0.7203 (tmm) cc_final: 0.6000 (tmm) REVERT: FA 1 MET cc_start: 0.7265 (ptm) cc_final: 0.6786 (ptp) REVERT: FA 17 LYS cc_start: 0.8929 (ttmm) cc_final: 0.8624 (ttpt) REVERT: FB 17 LYS cc_start: 0.8363 (mmmt) cc_final: 0.7881 (mmtm) REVERT: FC 1 MET cc_start: 0.6915 (ppp) cc_final: 0.6240 (ppp) REVERT: FC 2 GLU cc_start: 0.9084 (tm-30) cc_final: 0.8839 (tm-30) REVERT: FD 1 MET cc_start: 0.7913 (tmm) cc_final: 0.6945 (tmm) REVERT: FE 13 ASP cc_start: 0.8994 (m-30) cc_final: 0.8622 (m-30) REVERT: FF 12 LYS cc_start: 0.8319 (mptt) cc_final: 0.7980 (tppt) REVERT: FG 1 MET cc_start: 0.7270 (ppp) cc_final: 0.6870 (ppp) REVERT: FH 1 MET cc_start: 0.7643 (tmm) cc_final: 0.6541 (tmm) REVERT: FH 10 PHE cc_start: 0.8748 (t80) cc_final: 0.8462 (t80) REVERT: FI 1 MET cc_start: 0.7274 (ptm) cc_final: 0.6706 (ptp) REVERT: FL 1 MET cc_start: 0.8123 (tmm) cc_final: 0.6574 (tmm) REVERT: FS 1 MET cc_start: 0.7318 (ppp) cc_final: 0.6971 (ppp) REVERT: FU 12 LYS cc_start: 0.9092 (pttp) cc_final: 0.8839 (pptt) REVERT: FW 10 PHE cc_start: 0.8792 (t80) cc_final: 0.8524 (t80) REVERT: FX 1 MET cc_start: 0.7880 (tmm) cc_final: 0.6805 (tmm) REVERT: FY 1 MET cc_start: 0.7740 (ptm) cc_final: 0.7069 (ptp) REVERT: FZ 13 ASP cc_start: 0.7204 (t0) cc_final: 0.6629 (t0) REVERT: F2 1 MET cc_start: 0.7457 (ptm) cc_final: 0.6924 (ptp) REVERT: F2 6 LYS cc_start: 0.9370 (mmmt) cc_final: 0.9048 (mmmt) REVERT: F2 12 LYS cc_start: 0.9235 (tmmt) cc_final: 0.8712 (pttp) REVERT: F5 1 MET cc_start: 0.8304 (tmm) cc_final: 0.7013 (tmm) REVERT: F7 9 LYS cc_start: 0.8818 (tptp) cc_final: 0.8489 (tppt) REVERT: F7 13 ASP cc_start: 0.7598 (m-30) cc_final: 0.6942 (m-30) REVERT: F7 17 LYS cc_start: 0.8828 (mtpp) cc_final: 0.8597 (mmtm) REVERT: F8 1 MET cc_start: 0.6688 (ppp) cc_final: 0.6436 (ppp) REVERT: F9 1 MET cc_start: 0.7936 (tmm) cc_final: 0.6777 (tmm) REVERT: GA 13 ASP cc_start: 0.9154 (m-30) cc_final: 0.8899 (m-30) REVERT: GB 12 LYS cc_start: 0.8644 (mptt) cc_final: 0.8378 (tppt) REVERT: GB 13 ASP cc_start: 0.7903 (t70) cc_final: 0.7278 (t0) REVERT: GC 1 MET cc_start: 0.6501 (ppp) cc_final: 0.6066 (ppp) REVERT: GD 1 MET cc_start: 0.7313 (tmm) cc_final: 0.6358 (tmm) REVERT: GE 1 MET cc_start: 0.8123 (ptm) cc_final: 0.7773 (ptt) REVERT: GH 1 MET cc_start: 0.7714 (tmm) cc_final: 0.6747 (tmm) REVERT: GH 7 LEU cc_start: 0.9230 (tt) cc_final: 0.9003 (tt) REVERT: GH 9 LYS cc_start: 0.9007 (tmtt) cc_final: 0.8673 (ttmm) REVERT: GI 9 LYS cc_start: 0.9291 (ttmm) cc_final: 0.8954 (mtmm) REVERT: GI 12 LYS cc_start: 0.9322 (pttp) cc_final: 0.8891 (pttm) REVERT: GI 13 ASP cc_start: 0.8869 (m-30) cc_final: 0.8515 (m-30) REVERT: GL 9 LYS cc_start: 0.9185 (tmtt) cc_final: 0.8838 (tptp) REVERT: GP 1 MET cc_start: 0.8204 (tmm) cc_final: 0.7024 (tmm) REVERT: GQ 1 MET cc_start: 0.6561 (ptm) cc_final: 0.6129 (ptt) REVERT: GQ 12 LYS cc_start: 0.9208 (tttm) cc_final: 0.8912 (tttm) REVERT: GQ 18 PHE cc_start: 0.8574 (t80) cc_final: 0.8278 (t80) REVERT: GS 1 MET cc_start: 0.6553 (ppp) cc_final: 0.6241 (ppp) REVERT: GT 1 MET cc_start: 0.8340 (tmm) cc_final: 0.6922 (tmm) REVERT: GX 1 MET cc_start: 0.8139 (tmm) cc_final: 0.6576 (tmm) REVERT: GY 1 MET cc_start: 0.5532 (ptm) cc_final: 0.5278 (ptm) REVERT: GY 18 PHE cc_start: 0.8411 (t80) cc_final: 0.8140 (t80) REVERT: G0 1 MET cc_start: 0.7170 (ppp) cc_final: 0.6688 (ppp) REVERT: G1 1 MET cc_start: 0.8408 (tmm) cc_final: 0.7409 (tmm) REVERT: G2 1 MET cc_start: 0.6690 (ptm) cc_final: 0.5161 (pmm) REVERT: G3 13 ASP cc_start: 0.8010 (t0) cc_final: 0.7375 (t70) REVERT: G5 1 MET cc_start: 0.7935 (tmm) cc_final: 0.6498 (tmm) REVERT: G6 12 LYS cc_start: 0.9330 (tmtt) cc_final: 0.9109 (tptp) REVERT: G6 18 PHE cc_start: 0.8272 (t80) cc_final: 0.8064 (t80) REVERT: G9 1 MET cc_start: 0.8215 (tmm) cc_final: 0.7024 (tmm) REVERT: G9 9 LYS cc_start: 0.9103 (tptp) cc_final: 0.8851 (tppp) REVERT: HC 1 MET cc_start: 0.6721 (ppp) cc_final: 0.6208 (ppp) REVERT: HD 1 MET cc_start: 0.8148 (tmm) cc_final: 0.6556 (tmm) REVERT: HE 11 PHE cc_start: 0.8012 (m-10) cc_final: 0.7793 (m-80) REVERT: HE 12 LYS cc_start: 0.9257 (tttm) cc_final: 0.9025 (tptp) REVERT: HF 14 LEU cc_start: 0.7263 (tt) cc_final: 0.6958 (tp) REVERT: HH 1 MET cc_start: 0.7500 (tmm) cc_final: 0.6075 (tmm) REVERT: HI 11 PHE cc_start: 0.7877 (m-80) cc_final: 0.7257 (m-80) REVERT: HI 12 LYS cc_start: 0.9012 (tttm) cc_final: 0.8402 (tppt) REVERT: HI 13 ASP cc_start: 0.8733 (m-30) cc_final: 0.8338 (m-30) REVERT: HL 1 MET cc_start: 0.8479 (tmm) cc_final: 0.7030 (tmm) REVERT: HM 13 ASP cc_start: 0.8927 (m-30) cc_final: 0.8031 (m-30) REVERT: HN 12 LYS cc_start: 0.8788 (mptt) cc_final: 0.7592 (tppt) REVERT: HO 8 PHE cc_start: 0.8439 (t80) cc_final: 0.7803 (t80) REVERT: HP 1 MET cc_start: 0.8217 (tmm) cc_final: 0.6541 (tmm) REVERT: HP 9 LYS cc_start: 0.9406 (tmtt) cc_final: 0.9129 (tptp) REVERT: HT 1 MET cc_start: 0.8129 (tmm) cc_final: 0.7021 (tmm) REVERT: HV 12 LYS cc_start: 0.8985 (pttm) cc_final: 0.8761 (ttpp) REVERT: HV 13 ASP cc_start: 0.8249 (t0) cc_final: 0.8047 (t0) REVERT: HW 8 PHE cc_start: 0.8345 (t80) cc_final: 0.8083 (t80) REVERT: HX 1 MET cc_start: 0.8061 (tmm) cc_final: 0.6700 (tmm) REVERT: HY 1 MET cc_start: 0.6688 (ptm) cc_final: 0.6157 (ptp) REVERT: HY 13 ASP cc_start: 0.9102 (m-30) cc_final: 0.8883 (m-30) REVERT: HZ 9 LYS cc_start: 0.9023 (tptp) cc_final: 0.8391 (mttt) REVERT: H1 1 MET cc_start: 0.7837 (tmm) cc_final: 0.6487 (tmm) REVERT: H2 1 MET cc_start: 0.5840 (ptm) cc_final: 0.5129 (ptp) REVERT: H5 1 MET cc_start: 0.7965 (tmm) cc_final: 0.6951 (tmm) REVERT: H8 2 GLU cc_start: 0.8674 (tm-30) cc_final: 0.7814 (mp0) REVERT: H9 1 MET cc_start: 0.7554 (tmm) cc_final: 0.6347 (tmm) REVERT: H9 9 LYS cc_start: 0.9485 (tmtt) cc_final: 0.9192 (tptp) REVERT: IA 1 MET cc_start: 0.7140 (ptm) cc_final: 0.6829 (ptp) REVERT: IA 17 LYS cc_start: 0.8791 (ttpt) cc_final: 0.7816 (mmmt) REVERT: IA 18 PHE cc_start: 0.8926 (t80) cc_final: 0.8364 (t80) REVERT: ID 1 MET cc_start: 0.6700 (tmm) cc_final: 0.6078 (tmm) REVERT: ID 4 VAL cc_start: 0.8761 (p) cc_final: 0.8537 (p) REVERT: IE 1 MET cc_start: 0.6539 (ptm) cc_final: 0.5367 (pmm) REVERT: II 1 MET cc_start: 0.5453 (ptm) cc_final: 0.4352 (pmm) REVERT: IK 1 MET cc_start: 0.7160 (ppp) cc_final: 0.6643 (ppp) REVERT: IL 1 MET cc_start: 0.7450 (tmm) cc_final: 0.6163 (tmm) REVERT: IL 10 PHE cc_start: 0.8213 (t80) cc_final: 0.7975 (t80) REVERT: IM 1 MET cc_start: 0.7352 (ptm) cc_final: 0.6830 (ptp) REVERT: IM 17 LYS cc_start: 0.8947 (ttmm) cc_final: 0.8594 (tmtt) REVERT: IP 3 PHE cc_start: 0.8318 (m-80) cc_final: 0.7974 (m-10) REVERT: IQ 13 ASP cc_start: 0.8811 (m-30) cc_final: 0.8351 (m-30) REVERT: IS 1 MET cc_start: 0.7106 (ppp) cc_final: 0.6451 (ppp) REVERT: IS 6 LYS cc_start: 0.9001 (tppt) cc_final: 0.8694 (ttpt) REVERT: IT 1 MET cc_start: 0.7348 (tmm) cc_final: 0.6008 (tmm) REVERT: IU 1 MET cc_start: 0.6441 (ptm) cc_final: 0.5512 (pmm) REVERT: IX 1 MET cc_start: 0.7871 (tmm) cc_final: 0.6697 (tmm) REVERT: I0 1 MET cc_start: 0.6811 (ppp) cc_final: 0.6279 (pmm) REVERT: I3 12 LYS cc_start: 0.8289 (mptt) cc_final: 0.7621 (mmtm) REVERT: I4 1 MET cc_start: 0.7054 (ppp) cc_final: 0.6209 (ppp) REVERT: I5 1 MET cc_start: 0.7027 (tmm) cc_final: 0.5575 (tmm) REVERT: I7 13 ASP cc_start: 0.7812 (m-30) cc_final: 0.7454 (m-30) REVERT: I8 10 PHE cc_start: 0.8844 (t80) cc_final: 0.8630 (t80) REVERT: I9 1 MET cc_start: 0.7744 (tmm) cc_final: 0.6660 (tmm) REVERT: I9 9 LYS cc_start: 0.8858 (tmtt) cc_final: 0.8628 (mtpp) REVERT: JA 1 MET cc_start: 0.7542 (ptm) cc_final: 0.6806 (ptp) REVERT: JA 12 LYS cc_start: 0.9288 (tttm) cc_final: 0.9054 (pttm) REVERT: JD 1 MET cc_start: 0.7508 (tmm) cc_final: 0.6793 (tmm) REVERT: JD 9 LYS cc_start: 0.9291 (tmtt) cc_final: 0.8886 (tptt) REVERT: JE 6 LYS cc_start: 0.9348 (mmmt) cc_final: 0.9123 (mmmt) REVERT: JI 1 MET cc_start: 0.7742 (ptm) cc_final: 0.6720 (pmm) REVERT: JL 1 MET cc_start: 0.8086 (tmm) cc_final: 0.7004 (tmm) REVERT: JM 1 MET cc_start: 0.8028 (ptm) cc_final: 0.7559 (ptp) REVERT: JM 2 GLU cc_start: 0.8270 (pp20) cc_final: 0.8069 (pp20) REVERT: JM 6 LYS cc_start: 0.9349 (mmmm) cc_final: 0.9149 (mmmm) REVERT: JO 1 MET cc_start: 0.6395 (ppp) cc_final: 0.5459 (ppp) REVERT: JP 1 MET cc_start: 0.7493 (tmm) cc_final: 0.6503 (tmm) REVERT: JS 1 MET cc_start: 0.6818 (ppp) cc_final: 0.6367 (ppp) REVERT: JS 10 PHE cc_start: 0.8930 (t80) cc_final: 0.8398 (t80) REVERT: JT 1 MET cc_start: 0.7778 (tmm) cc_final: 0.6981 (tmm) REVERT: JT 9 LYS cc_start: 0.8998 (tmtt) cc_final: 0.8782 (mmmm) REVERT: JU 18 PHE cc_start: 0.8417 (t80) cc_final: 0.8000 (t80) REVERT: JX 1 MET cc_start: 0.8133 (tmm) cc_final: 0.7256 (tmm) REVERT: JX 10 PHE cc_start: 0.8866 (t80) cc_final: 0.8645 (t80) REVERT: JY 12 LYS cc_start: 0.9113 (tttm) cc_final: 0.8858 (pttm) REVERT: JY 17 LYS cc_start: 0.9054 (ttpt) cc_final: 0.8846 (ttpt) REVERT: J0 1 MET cc_start: 0.6303 (ppp) cc_final: 0.5754 (ppp) REVERT: J1 1 MET cc_start: 0.8265 (tmm) cc_final: 0.6888 (tmm) REVERT: J2 1 MET cc_start: 0.6921 (ptm) cc_final: 0.6409 (ptt) REVERT: J5 1 MET cc_start: 0.8121 (tmm) cc_final: 0.6873 (tmm) REVERT: J9 1 MET cc_start: 0.7978 (tmm) cc_final: 0.6150 (tmm) REVERT: KC 1 MET cc_start: 0.6959 (ppp) cc_final: 0.6339 (ppp) REVERT: KC 8 PHE cc_start: 0.8257 (t80) cc_final: 0.7868 (t80) REVERT: KD 1 MET cc_start: 0.7999 (tmm) cc_final: 0.6849 (tmm) REVERT: KE 1 MET cc_start: 0.6571 (ptm) cc_final: 0.5366 (pmm) REVERT: KE 12 LYS cc_start: 0.9379 (pttp) cc_final: 0.9008 (pttp) REVERT: KE 13 ASP cc_start: 0.8886 (m-30) cc_final: 0.8527 (m-30) REVERT: KH 1 MET cc_start: 0.8044 (tmm) cc_final: 0.6665 (tmm) REVERT: KM 17 LYS cc_start: 0.9106 (ttpt) cc_final: 0.8806 (ttpt) REVERT: KO 1 MET cc_start: 0.6576 (ppp) cc_final: 0.5985 (ppp) REVERT: KO 8 PHE cc_start: 0.8253 (t80) cc_final: 0.7415 (t80) REVERT: KO 10 PHE cc_start: 0.8874 (t80) cc_final: 0.8590 (t80) REVERT: KP 1 MET cc_start: 0.8206 (tmm) cc_final: 0.6799 (tmm) REVERT: KQ 12 LYS cc_start: 0.9273 (tttm) cc_final: 0.8987 (tptp) REVERT: KT 1 MET cc_start: 0.7579 (tmm) cc_final: 0.6050 (tmm) REVERT: KU 7 LEU cc_start: 0.9187 (tt) cc_final: 0.8905 (tt) REVERT: KU 9 LYS cc_start: 0.8719 (tptp) cc_final: 0.8349 (tptp) REVERT: KU 11 PHE cc_start: 0.8045 (m-80) cc_final: 0.7369 (m-80) REVERT: KV 6 LYS cc_start: 0.8782 (ttpt) cc_final: 0.8452 (ttpt) REVERT: KW 1 MET cc_start: 0.6443 (ppp) cc_final: 0.6229 (ppp) REVERT: KX 9 LYS cc_start: 0.9043 (mmpt) cc_final: 0.8706 (mtmt) REVERT: KY 13 ASP cc_start: 0.8974 (m-30) cc_final: 0.8505 (m-30) REVERT: KZ 12 LYS cc_start: 0.8810 (mptt) cc_final: 0.8553 (mppt) REVERT: K1 1 MET cc_start: 0.8143 (tmm) cc_final: 0.6355 (tmm) REVERT: K1 9 LYS cc_start: 0.9414 (tmtt) cc_final: 0.9097 (tptp) REVERT: K4 1 MET cc_start: 0.6070 (ppp) cc_final: 0.5693 (ppp) REVERT: K5 1 MET cc_start: 0.7919 (tmm) cc_final: 0.6569 (tmm) REVERT: K7 13 ASP cc_start: 0.8313 (t0) cc_final: 0.7876 (t0) REVERT: K8 1 MET cc_start: 0.6824 (ppp) cc_final: 0.6534 (ppp) REVERT: K9 1 MET cc_start: 0.8006 (tmm) cc_final: 0.6753 (tmm) REVERT: LA 1 MET cc_start: 0.7060 (ptm) cc_final: 0.6180 (pmm) REVERT: LA 13 ASP cc_start: 0.9067 (m-30) cc_final: 0.8720 (m-30) REVERT: LD 1 MET cc_start: 0.7863 (tmm) cc_final: 0.6837 (tmm) REVERT: LE 1 MET cc_start: 0.5741 (ptm) cc_final: 0.5210 (ptp) REVERT: LE 2 GLU cc_start: 0.7904 (pp20) cc_final: 0.7485 (tm-30) REVERT: LG 1 MET cc_start: 0.5494 (ppp) cc_final: 0.4953 (ppp) REVERT: LH 1 MET cc_start: 0.8126 (tmm) cc_final: 0.7127 (tmm) REVERT: LI 2 GLU cc_start: 0.8183 (pp20) cc_final: 0.7930 (tp30) REVERT: LL 1 MET cc_start: 0.7752 (tmm) cc_final: 0.6531 (tmm) REVERT: LL 9 LYS cc_start: 0.9546 (tmtt) cc_final: 0.9248 (tptp) REVERT: LM 1 MET cc_start: 0.7326 (ptm) cc_final: 0.7114 (ptp) REVERT: LQ 1 MET cc_start: 0.6860 (ptm) cc_final: 0.5282 (pmm) REVERT: LU 1 MET cc_start: 0.5239 (ptm) cc_final: 0.4252 (pmm) REVERT: LW 1 MET cc_start: 0.7451 (ppp) cc_final: 0.7039 (ppp) REVERT: LX 1 MET cc_start: 0.7577 (tmm) cc_final: 0.6673 (tmm) REVERT: LY 1 MET cc_start: 0.7458 (ptm) cc_final: 0.6711 (ptp) REVERT: LY 17 LYS cc_start: 0.9002 (ttmm) cc_final: 0.8579 (tmtt) REVERT: LZ 6 LYS cc_start: 0.6456 (tmtt) cc_final: 0.5801 (pttt) REVERT: L0 2 GLU cc_start: 0.8944 (tm-30) cc_final: 0.8570 (tm-30) REVERT: L1 1 MET cc_start: 0.7730 (tmm) cc_final: 0.6795 (tmm) REVERT: L1 10 PHE cc_start: 0.8565 (t80) cc_final: 0.8232 (t80) REVERT: L2 11 PHE cc_start: 0.7923 (m-10) cc_final: 0.7656 (m-10) REVERT: L2 13 ASP cc_start: 0.9028 (m-30) cc_final: 0.8811 (m-30) REVERT: L4 1 MET cc_start: 0.7022 (ppp) cc_final: 0.6421 (ppp) REVERT: L5 1 MET cc_start: 0.7307 (tmm) cc_final: 0.6350 (tmm) REVERT: L6 1 MET cc_start: 0.6989 (ptm) cc_final: 0.6766 (ptp) REVERT: L6 12 LYS cc_start: 0.9468 (pptt) cc_final: 0.9148 (pptt) REVERT: L9 1 MET cc_start: 0.7915 (tmm) cc_final: 0.6642 (tmm) REVERT: MC 2 GLU cc_start: 0.8687 (tm-30) cc_final: 0.8474 (tm-30) REVERT: MC 9 LYS cc_start: 0.9556 (mtpt) cc_final: 0.9243 (mmmt) REVERT: MG 1 MET cc_start: 0.7100 (ppp) cc_final: 0.5871 (ppp) REVERT: MH 1 MET cc_start: 0.7350 (tmm) cc_final: 0.5938 (tmm) REVERT: MJ 9 LYS cc_start: 0.8629 (tptp) cc_final: 0.8427 (tppt) REVERT: MJ 13 ASP cc_start: 0.8139 (m-30) cc_final: 0.7565 (m-30) REVERT: ML 1 MET cc_start: 0.8084 (tmm) cc_final: 0.6707 (tmm) REVERT: ML 9 LYS cc_start: 0.8798 (tmtt) cc_final: 0.8546 (mmtp) REVERT: MM 1 MET cc_start: 0.7777 (ptm) cc_final: 0.7027 (ptp) REVERT: MM 12 LYS cc_start: 0.9287 (pttm) cc_final: 0.9022 (pttp) REVERT: MN 13 ASP cc_start: 0.7531 (t0) cc_final: 0.7307 (t0) REVERT: MP 1 MET cc_start: 0.7652 (tmm) cc_final: 0.6502 (tmm) REVERT: MQ 1 MET cc_start: 0.7451 (ptm) cc_final: 0.7127 (ptt) REVERT: MQ 17 LYS cc_start: 0.8589 (ttpt) cc_final: 0.8374 (ttpt) REVERT: MT 1 MET cc_start: 0.8220 (tmm) cc_final: 0.6818 (tmm) REVERT: MV 17 LYS cc_start: 0.8964 (mtpp) cc_final: 0.8709 (mmtm) REVERT: MW 1 MET cc_start: 0.6378 (ppp) cc_final: 0.6174 (ppp) REVERT: MX 9 LYS cc_start: 0.9274 (tmtt) cc_final: 0.8851 (mtmt) REVERT: MY 6 LYS cc_start: 0.9387 (mmmt) cc_final: 0.9071 (mmmm) REVERT: M0 1 MET cc_start: 0.6725 (ppp) cc_final: 0.6336 (ppp) REVERT: M2 11 PHE cc_start: 0.7369 (m-10) cc_final: 0.7140 (m-80) REVERT: M5 1 MET cc_start: 0.7557 (tmm) cc_final: 0.6590 (tmm) REVERT: M5 9 LYS cc_start: 0.9059 (tmtt) cc_final: 0.8780 (ttmm) REVERT: M9 1 MET cc_start: 0.8191 (tmm) cc_final: 0.7292 (tmm) REVERT: ND 1 MET cc_start: 0.8242 (tmm) cc_final: 0.7215 (tmm) REVERT: NE 12 LYS cc_start: 0.9393 (tttm) cc_final: 0.8981 (ttmm) REVERT: NF 6 LYS cc_start: 0.8772 (ttpt) cc_final: 0.8526 (tttt) REVERT: NG 1 MET cc_start: 0.6575 (ppp) cc_final: 0.5915 (ppp) REVERT: NH 1 MET cc_start: 0.8282 (tmm) cc_final: 0.7035 (tmm) REVERT: NI 1 MET cc_start: 0.7991 (ptm) cc_final: 0.6806 (ptp) REVERT: NL 1 MET cc_start: 0.8142 (tmm) cc_final: 0.6533 (tmm) REVERT: NM 1 MET cc_start: 0.4736 (ptm) cc_final: 0.4067 (pmm) REVERT: NM 12 LYS cc_start: 0.9207 (pttm) cc_final: 0.8893 (pttm) REVERT: NO 1 MET cc_start: 0.7059 (ppp) cc_final: 0.6413 (ppp) REVERT: NP 1 MET cc_start: 0.8204 (tmm) cc_final: 0.7464 (tmm) REVERT: NQ 1 MET cc_start: 0.6447 (ptm) cc_final: 0.5345 (pmm) REVERT: NT 1 MET cc_start: 0.7813 (tmm) cc_final: 0.7544 (tmm) REVERT: NU 1 MET cc_start: 0.6840 (ptm) cc_final: 0.6449 (ptp) REVERT: NV 12 LYS cc_start: 0.8290 (mmtp) cc_final: 0.8013 (tppt) REVERT: NX 1 MET cc_start: 0.8244 (tmm) cc_final: 0.7046 (tmm) REVERT: N0 1 MET cc_start: 0.6689 (ppp) cc_final: 0.6410 (ppp) REVERT: N2 11 PHE cc_start: 0.7715 (m-10) cc_final: 0.7453 (m-10) REVERT: N2 12 LYS cc_start: 0.9196 (tttm) cc_final: 0.8829 (tptp) REVERT: N5 1 MET cc_start: 0.7734 (tmm) cc_final: 0.6172 (tmm) REVERT: N6 9 LYS cc_start: 0.8800 (tppt) cc_final: 0.8587 (tppt) REVERT: N6 12 LYS cc_start: 0.9156 (tttm) cc_final: 0.8542 (tppt) REVERT: N7 6 LYS cc_start: 0.8944 (ttpt) cc_final: 0.8538 (ttpt) REVERT: N9 1 MET cc_start: 0.8334 (tmm) cc_final: 0.6869 (tmm) REVERT: OA 1 MET cc_start: 0.6570 (ptm) cc_final: 0.5700 (pmm) REVERT: OA 13 ASP cc_start: 0.9007 (m-30) cc_final: 0.8798 (m-30) REVERT: OC 8 PHE cc_start: 0.8274 (t80) cc_final: 0.7660 (t80) REVERT: OD 1 MET cc_start: 0.8053 (tmm) cc_final: 0.6774 (tmm) REVERT: OE 1 MET cc_start: 0.6407 (ptt) cc_final: 0.6028 (ptt) REVERT: OF 11 PHE cc_start: 0.8221 (m-80) cc_final: 0.8009 (m-80) REVERT: OG 1 MET cc_start: 0.6416 (ppp) cc_final: 0.5386 (ppp) REVERT: OH 1 MET cc_start: 0.8227 (tmm) cc_final: 0.7237 (tmm) REVERT: OI 1 MET cc_start: 0.6770 (ptm) cc_final: 0.6172 (pmm) REVERT: OK 1 MET cc_start: 0.6858 (ppp) cc_final: 0.6410 (ppp) REVERT: OL 1 MET cc_start: 0.8169 (tmm) cc_final: 0.7928 (tmm) REVERT: OM 1 MET cc_start: 0.6948 (ptm) cc_final: 0.6025 (pmm) REVERT: OP 1 MET cc_start: 0.7855 (tmm) cc_final: 0.6840 (tmm) REVERT: OQ 1 MET cc_start: 0.6138 (ptm) cc_final: 0.5474 (ptp) REVERT: OR 12 LYS cc_start: 0.8754 (mptt) cc_final: 0.8552 (tptt) REVERT: OS 1 MET cc_start: 0.5911 (ppp) cc_final: 0.5428 (ppp) REVERT: OW 1 MET cc_start: 0.6277 (ppp) cc_final: 0.5514 (pmm) REVERT: OW 8 PHE cc_start: 0.8782 (t80) cc_final: 0.8521 (t80) REVERT: OX 1 MET cc_start: 0.7676 (tmm) cc_final: 0.6512 (tmm) REVERT: OY 1 MET cc_start: 0.7031 (ptm) cc_final: 0.6743 (ptp) REVERT: OY 18 PHE cc_start: 0.8840 (t80) cc_final: 0.8466 (t80) REVERT: O2 1 MET cc_start: 0.6688 (ptt) cc_final: 0.5518 (pmm) REVERT: O4 2 GLU cc_start: 0.8600 (tm-30) cc_final: 0.8194 (mp0) REVERT: O5 1 MET cc_start: 0.6961 (tmm) cc_final: 0.6123 (tmm) REVERT: O5 4 VAL cc_start: 0.8867 (t) cc_final: 0.8401 (p) REVERT: O6 1 MET cc_start: 0.5968 (ptm) cc_final: 0.4950 (pmm) REVERT: O6 17 LYS cc_start: 0.8858 (tptt) cc_final: 0.8548 (tptm) REVERT: O8 1 MET cc_start: 0.6937 (ppp) cc_final: 0.6186 (ppp) REVERT: O9 1 MET cc_start: 0.7497 (tmm) cc_final: 0.6372 (tmm) REVERT: PA 1 MET cc_start: 0.7202 (ptm) cc_final: 0.6493 (ptp) REVERT: PB 6 LYS cc_start: 0.6182 (tmtt) cc_final: 0.5693 (pttt) REVERT: PD 1 MET cc_start: 0.7829 (tmm) cc_final: 0.7033 (tmm) REVERT: PG 1 MET cc_start: 0.7290 (ppp) cc_final: 0.6862 (ppp) REVERT: PH 1 MET cc_start: 0.7427 (tmm) cc_final: 0.6130 (tmm) REVERT: PI 1 MET cc_start: 0.6623 (ptm) cc_final: 0.6094 (pmm) REVERT: PJ 12 LYS cc_start: 0.8475 (mptt) cc_final: 0.8130 (tptp) REVERT: PL 1 MET cc_start: 0.7961 (tmm) cc_final: 0.6532 (tmm) REVERT: PP 1 MET cc_start: 0.7499 (tmm) cc_final: 0.6189 (tmm) REVERT: PQ 1 MET cc_start: 0.7177 (ptm) cc_final: 0.6520 (pmm) REVERT: PR 12 LYS cc_start: 0.8355 (mmtt) cc_final: 0.8066 (ptmt) REVERT: PR 17 LYS cc_start: 0.8722 (mmmt) cc_final: 0.8340 (mptt) REVERT: PS 1 MET cc_start: 0.7143 (ppp) cc_final: 0.6653 (ppp) REVERT: PT 1 MET cc_start: 0.7204 (tmm) cc_final: 0.5518 (tmm) REVERT: PU 17 LYS cc_start: 0.8572 (tttt) cc_final: 0.8352 (ttpt) REVERT: PX 1 MET cc_start: 0.7583 (tmm) cc_final: 0.6559 (tmm) REVERT: PY 1 MET cc_start: 0.7733 (ptm) cc_final: 0.7113 (ptp) REVERT: PY 12 LYS cc_start: 0.9258 (pttm) cc_final: 0.8894 (pttm) REVERT: P1 1 MET cc_start: 0.7737 (tmm) cc_final: 0.6947 (tmm) REVERT: P2 1 MET cc_start: 0.7650 (ptm) cc_final: 0.7155 (ptp) REVERT: P3 1 MET cc_start: 0.6498 (ptp) cc_final: 0.6203 (ptp) REVERT: P5 1 MET cc_start: 0.8150 (tmm) cc_final: 0.7165 (tmm) REVERT: P6 1 MET cc_start: 0.7512 (ptm) cc_final: 0.6751 (pmm) REVERT: P8 1 MET cc_start: 0.6365 (ppp) cc_final: 0.5997 (ppp) REVERT: P9 1 MET cc_start: 0.8033 (tmm) cc_final: 0.6927 (tmm) REVERT: QA 13 ASP cc_start: 0.9114 (m-30) cc_final: 0.8794 (m-30) REVERT: QB 2 GLU cc_start: 0.6859 (pp20) cc_final: 0.6338 (tp30) REVERT: QC 8 PHE cc_start: 0.8496 (t80) cc_final: 0.7902 (t80) REVERT: QD 1 MET cc_start: 0.7519 (tmm) cc_final: 0.6167 (tmm) REVERT: QH 1 MET cc_start: 0.7623 (tmm) cc_final: 0.6473 (tmm) REVERT: QI 13 ASP cc_start: 0.9092 (m-30) cc_final: 0.8871 (m-30) REVERT: QL 9 LYS cc_start: 0.9066 (tmtt) cc_final: 0.8859 (tmtt) REVERT: QM 12 LYS cc_start: 0.9223 (tmtt) cc_final: 0.8879 (pttm) REVERT: QO 1 MET cc_start: 0.6297 (ppp) cc_final: 0.6027 (ppp) REVERT: QP 1 MET cc_start: 0.7861 (tmm) cc_final: 0.6736 (tmm) REVERT: QQ 6 LYS cc_start: 0.9378 (mmmm) cc_final: 0.9145 (mmmm) REVERT: QT 1 MET cc_start: 0.8484 (tmm) cc_final: 0.7172 (tmm) REVERT: QW 1 MET cc_start: 0.6315 (ppp) cc_final: 0.6063 (ppp) REVERT: QX 1 MET cc_start: 0.8277 (tmm) cc_final: 0.6666 (tmm) REVERT: Q1 1 MET cc_start: 0.8402 (tmm) cc_final: 0.7244 (tmm) REVERT: Q2 1 MET cc_start: 0.6513 (ptm) cc_final: 0.5320 (pmm) REVERT: Q3 2 GLU cc_start: 0.6580 (mt-10) cc_final: 0.6193 (tp30) REVERT: Q5 1 MET cc_start: 0.7956 (tmm) cc_final: 0.6569 (tmm) REVERT: Q9 1 MET cc_start: 0.8121 (tmm) cc_final: 0.6993 (tmm) REVERT: RC 8 PHE cc_start: 0.8328 (t80) cc_final: 0.8070 (t80) REVERT: RE 11 PHE cc_start: 0.7668 (m-10) cc_final: 0.7386 (m-80) REVERT: RE 12 LYS cc_start: 0.9248 (tttm) cc_final: 0.8936 (tptp) REVERT: RF 11 PHE cc_start: 0.7932 (m-80) cc_final: 0.7690 (m-80) REVERT: RF 14 LEU cc_start: 0.7181 (tt) cc_final: 0.6927 (tp) REVERT: RH 1 MET cc_start: 0.7405 (tmm) cc_final: 0.5989 (tmm) REVERT: RH 9 LYS cc_start: 0.9337 (tmtt) cc_final: 0.8963 (tptp) REVERT: RI 1 MET cc_start: 0.7125 (ptm) cc_final: 0.6907 (ptm) REVERT: RI 13 ASP cc_start: 0.8679 (m-30) cc_final: 0.8175 (m-30) REVERT: RL 1 MET cc_start: 0.8425 (tmm) cc_final: 0.7318 (tmm) REVERT: RL 9 LYS cc_start: 0.9228 (tmtt) cc_final: 0.8994 (ttmm) REVERT: RM 13 ASP cc_start: 0.8949 (m-30) cc_final: 0.8622 (m-30) REVERT: RM 18 PHE cc_start: 0.9116 (t80) cc_final: 0.8740 (t80) REVERT: RN 12 LYS cc_start: 0.8906 (mptt) cc_final: 0.8136 (tppt) REVERT: RO 8 PHE cc_start: 0.8464 (t80) cc_final: 0.7700 (t80) REVERT: RP 1 MET cc_start: 0.7999 (tmm) cc_final: 0.7007 (ttp) REVERT: RP 3 PHE cc_start: 0.8339 (m-10) cc_final: 0.7911 (m-10) REVERT: RQ 13 ASP cc_start: 0.8886 (m-30) cc_final: 0.8604 (m-30) REVERT: RS 1 MET cc_start: 0.6106 (ppp) cc_final: 0.5511 (ppp) REVERT: RT 1 MET cc_start: 0.8131 (tmm) cc_final: 0.6970 (tmm) REVERT: RW 1 MET cc_start: 0.6715 (ppp) cc_final: 0.6267 (ppp) REVERT: RX 1 MET cc_start: 0.7944 (tmm) cc_final: 0.6567 (tmm) REVERT: RY 1 MET cc_start: 0.6496 (ptm) cc_final: 0.5798 (pmm) REVERT: RY 13 ASP cc_start: 0.9133 (m-30) cc_final: 0.8877 (m-30) REVERT: RZ 9 LYS cc_start: 0.9150 (tptp) cc_final: 0.8861 (tptp) REVERT: R1 1 MET cc_start: 0.7719 (tmm) cc_final: 0.6691 (tmm) REVERT: R2 1 MET cc_start: 0.5830 (ptm) cc_final: 0.5006 (ptp) REVERT: R2 2 GLU cc_start: 0.7713 (pp20) cc_final: 0.7357 (tm-30) REVERT: R2 17 LYS cc_start: 0.9007 (ttmt) cc_final: 0.8802 (ttpp) REVERT: R3 2 GLU cc_start: 0.6026 (mp0) cc_final: 0.5762 (tp30) REVERT: R5 1 MET cc_start: 0.8073 (tmm) cc_final: 0.6881 (tmm) REVERT: R8 1 MET cc_start: 0.6212 (ppp) cc_final: 0.5951 (pmm) REVERT: R9 1 MET cc_start: 0.7880 (tmm) cc_final: 0.6985 (tmm) REVERT: R9 9 LYS cc_start: 0.9480 (tmtt) cc_final: 0.9189 (tptp) REVERT: SA 1 MET cc_start: 0.7349 (ptm) cc_final: 0.6921 (ptp) REVERT: SA 17 LYS cc_start: 0.8769 (ttpt) cc_final: 0.7629 (mmmt) REVERT: SD 1 MET cc_start: 0.6905 (tmm) cc_final: 0.6342 (tmm) REVERT: SD 4 VAL cc_start: 0.8865 (t) cc_final: 0.8537 (p) REVERT: SE 1 MET cc_start: 0.7120 (ptm) cc_final: 0.5893 (pmm) REVERT: SG 2 GLU cc_start: 0.8640 (tm-30) cc_final: 0.8250 (mp0) REVERT: SH 1 MET cc_start: 0.6974 (tmm) cc_final: 0.6492 (tmm) REVERT: SH 4 VAL cc_start: 0.9053 (t) cc_final: 0.8656 (t) REVERT: SI 1 MET cc_start: 0.5682 (ptm) cc_final: 0.4614 (pmm) REVERT: SJ 17 LYS cc_start: 0.8814 (ttmm) cc_final: 0.8595 (mmtm) REVERT: SL 1 MET cc_start: 0.7285 (tmm) cc_final: 0.6328 (tmm) REVERT: SM 1 MET cc_start: 0.7408 (ptm) cc_final: 0.6760 (ptp) REVERT: SM 17 LYS cc_start: 0.8861 (ttmm) cc_final: 0.8454 (tmtt) REVERT: SN 6 LYS cc_start: 0.6124 (tmtt) cc_final: 0.5611 (pttt) REVERT: SN 17 LYS cc_start: 0.8514 (mmmt) cc_final: 0.8238 (mptt) REVERT: SO 1 MET cc_start: 0.7001 (ppp) cc_final: 0.5875 (ppp) REVERT: SO 2 GLU cc_start: 0.9071 (tm-30) cc_final: 0.8858 (tp30) REVERT: SP 1 MET cc_start: 0.7864 (tmm) cc_final: 0.6521 (tmm) REVERT: SQ 17 LYS cc_start: 0.6687 (tmtt) cc_final: 0.6475 (tmtt) REVERT: SS 1 MET cc_start: 0.7506 (ppp) cc_final: 0.6792 (ppp) REVERT: SS 8 PHE cc_start: 0.8137 (t80) cc_final: 0.7356 (t80) REVERT: ST 1 MET cc_start: 0.7348 (tmm) cc_final: 0.5967 (tmm) REVERT: SU 1 MET cc_start: 0.6873 (ptm) cc_final: 0.5866 (pmm) REVERT: SW 10 PHE cc_start: 0.8703 (t80) cc_final: 0.8496 (t80) REVERT: SX 1 MET cc_start: 0.7769 (tmm) cc_final: 0.6616 (tmm) REVERT: S2 1 MET cc_start: 0.6773 (ptm) cc_final: 0.6418 (pmm) REVERT: S6 18 PHE cc_start: 0.8209 (t80) cc_final: 0.7972 (t80) REVERT: S9 1 MET cc_start: 0.7893 (tmm) cc_final: 0.6879 (tmm) REVERT: TA 1 MET cc_start: 0.7540 (ptm) cc_final: 0.6030 (pmm) REVERT: TD 1 MET cc_start: 0.7580 (tmm) cc_final: 0.6584 (tmm) REVERT: TE 1 MET cc_start: 0.7331 (ptm) cc_final: 0.6863 (ptt) REVERT: TH 1 MET cc_start: 0.7957 (tmm) cc_final: 0.6705 (tmm) REVERT: TI 1 MET cc_start: 0.7570 (ptm) cc_final: 0.6926 (pmm) REVERT: TK 1 MET cc_start: 0.6142 (ppp) cc_final: 0.5871 (ppp) REVERT: TL 1 MET cc_start: 0.7951 (tmm) cc_final: 0.6715 (tmm) REVERT: TM 13 ASP cc_start: 0.9191 (m-30) cc_final: 0.8882 (m-30) REVERT: TP 1 MET cc_start: 0.7380 (tmm) cc_final: 0.6101 (tmm) REVERT: TQ 6 LYS cc_start: 0.8817 (mtmm) cc_final: 0.8552 (mtmt) REVERT: TS 1 MET cc_start: 0.6553 (ppp) cc_final: 0.5872 (ppp) REVERT: TT 1 MET cc_start: 0.7910 (tmm) cc_final: 0.7060 (tmm) REVERT: TU 13 ASP cc_start: 0.8974 (m-30) cc_final: 0.8745 (m-30) REVERT: TX 1 MET cc_start: 0.8031 (tmm) cc_final: 0.6768 (tmm) REVERT: TY 6 LYS cc_start: 0.9181 (mtmm) cc_final: 0.8784 (mtmm) REVERT: T0 1 MET cc_start: 0.6353 (ppp) cc_final: 0.5159 (ppp) REVERT: T1 1 MET cc_start: 0.8127 (tmm) cc_final: 0.7063 (tmm) REVERT: T3 11 PHE cc_start: 0.8612 (m-80) cc_final: 0.8402 (m-80) REVERT: T5 1 MET cc_start: 0.8363 (tmm) cc_final: 0.6796 (tmm) REVERT: T6 1 MET cc_start: 0.8185 (ptm) cc_final: 0.7798 (ptp) REVERT: T9 1 MET cc_start: 0.7848 (tmm) cc_final: 0.6199 (tmm) REVERT: UC 1 MET cc_start: 0.6911 (ppp) cc_final: 0.6389 (ppp) REVERT: UD 1 MET cc_start: 0.8256 (tmm) cc_final: 0.7382 (tmm) REVERT: UE 1 MET cc_start: 0.6737 (ptm) cc_final: 0.6077 (ptt) REVERT: UE 13 ASP cc_start: 0.8747 (m-30) cc_final: 0.8511 (m-30) REVERT: UH 1 MET cc_start: 0.7967 (tmm) cc_final: 0.6489 (tmm) REVERT: UL 1 MET cc_start: 0.8205 (tmm) cc_final: 0.7088 (tmm) REVERT: UO 1 MET cc_start: 0.6309 (ppp) cc_final: 0.6087 (ppp) REVERT: UO 8 PHE cc_start: 0.8217 (t80) cc_final: 0.7435 (t80) REVERT: UQ 11 PHE cc_start: 0.7911 (m-80) cc_final: 0.7692 (m-80) REVERT: UQ 12 LYS cc_start: 0.9196 (tttm) cc_final: 0.8948 (tptp) REVERT: UT 1 MET cc_start: 0.7666 (tmm) cc_final: 0.6049 (tmm) REVERT: UU 13 ASP cc_start: 0.8926 (m-30) cc_final: 0.8284 (m-30) REVERT: UX 1 MET cc_start: 0.8311 (tmm) cc_final: 0.6841 (tmm) REVERT: UX 9 LYS cc_start: 0.9250 (tmtt) cc_final: 0.8918 (ttmm) REVERT: UY 13 ASP cc_start: 0.8906 (m-30) cc_final: 0.8292 (m-30) REVERT: UZ 12 LYS cc_start: 0.8895 (mptt) cc_final: 0.7969 (tppt) REVERT: U0 8 PHE cc_start: 0.8496 (t80) cc_final: 0.7987 (t80) REVERT: U1 1 MET cc_start: 0.8011 (tmm) cc_final: 0.6230 (tmm) REVERT: U2 9 LYS cc_start: 0.9140 (ttmm) cc_final: 0.8903 (mtmm) REVERT: U4 1 MET cc_start: 0.6420 (ppp) cc_final: 0.5731 (ppp) REVERT: U5 1 MET cc_start: 0.8253 (tmm) cc_final: 0.7109 (tmm) REVERT: U6 9 LYS cc_start: 0.9233 (ttmm) cc_final: 0.8901 (tptp) REVERT: U7 1 MET cc_start: 0.7163 (ptp) cc_final: 0.6898 (ptp) REVERT: U9 1 MET cc_start: 0.8135 (tmm) cc_final: 0.6723 (tmm) REVERT: VB 2 GLU cc_start: 0.7608 (tp30) cc_final: 0.7389 (tp30) REVERT: VD 1 MET cc_start: 0.8128 (tmm) cc_final: 0.7014 (tmm) REVERT: VE 1 MET cc_start: 0.5985 (ptm) cc_final: 0.5289 (ptp) REVERT: VE 18 PHE cc_start: 0.8546 (t80) cc_final: 0.8226 (t80) REVERT: VG 1 MET cc_start: 0.5344 (ppp) cc_final: 0.4908 (ppp) REVERT: VH 1 MET cc_start: 0.8128 (tmm) cc_final: 0.7128 (tmm) REVERT: VK 2 GLU cc_start: 0.8583 (tm-30) cc_final: 0.7851 (mp0) REVERT: VL 1 MET cc_start: 0.7802 (tmm) cc_final: 0.6901 (tmm) REVERT: VL 9 LYS cc_start: 0.9515 (tmtt) cc_final: 0.9297 (tptp) REVERT: VM 17 LYS cc_start: 0.8779 (ttpt) cc_final: 0.8114 (mmmt) REVERT: VQ 1 MET cc_start: 0.6183 (ptm) cc_final: 0.5439 (pmm) REVERT: VT 4 VAL cc_start: 0.9054 (t) cc_final: 0.8780 (t) REVERT: VU 1 MET cc_start: 0.5802 (ptm) cc_final: 0.4714 (pmm) outliers start: 0 outliers final: 0 residues processed: 5506 average time/residue: 1.3635 time to fit residues: 12802.0939 Evaluate side-chains 4060 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4060 time to evaluate : 14.017 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 847 optimal weight: 8.9990 chunk 473 optimal weight: 2.9990 chunk 1269 optimal weight: 0.0040 chunk 1038 optimal weight: 0.8980 chunk 420 optimal weight: 4.9990 chunk 1528 optimal weight: 8.9990 chunk 1651 optimal weight: 2.9990 chunk 1361 optimal weight: 4.9990 chunk 1515 optimal weight: 3.9990 chunk 521 optimal weight: 8.9990 chunk 1226 optimal weight: 6.9990 overall best weight: 2.1798 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** b 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 21 ASN A5 21 ASN BZ 21 ASN CT 21 ASN F5 21 ASN HT 21 ASN LZ 21 ASN MT 21 ASN P5 21 ASN RZ 21 ASN SN 21 ASN Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8029 moved from start: 0.5321 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.038 151200 Z= 0.209 Angle : 0.539 9.934 198240 Z= 0.268 Chirality : 0.028 0.170 20160 Planarity : 0.002 0.015 23520 Dihedral : 4.444 18.327 16800 Min Nonbonded Distance : 2.157 Molprobity Statistics. All-atom Clashscore : 16.38 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.90 % Favored : 99.10 % Rotamer: Outliers : 0.00 % Allowed : 7.39 % Favored : 92.61 % 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: 1.90 (0.06), residues: 15960 helix: 1.98 (0.04), residues: 13022 sheet: None (None), residues: 0 loop : -2.16 (0.09), residues: 2938 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.034 0.002 PHEPE 11 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5155 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 5155 time to evaluate : 13.588 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: A 8 PHE cc_start: 0.8245 (t80) cc_final: 0.7769 (t80) REVERT: C 12 LYS cc_start: 0.9283 (tttm) cc_final: 0.8947 (tttm) REVERT: E 1 MET cc_start: 0.7458 (ppp) cc_final: 0.6403 (ppp) REVERT: E 8 PHE cc_start: 0.7629 (t80) cc_final: 0.7248 (t80) REVERT: F 1 MET cc_start: 0.7423 (tmm) cc_final: 0.6462 (tmm) REVERT: G 1 MET cc_start: 0.6923 (ptm) cc_final: 0.6296 (ptp) REVERT: G 17 LYS cc_start: 0.8948 (ttmm) cc_final: 0.8398 (tmtt) REVERT: H 6 LYS cc_start: 0.6502 (tmtt) cc_final: 0.5530 (tttt) REVERT: I 1 MET cc_start: 0.7005 (ppp) cc_final: 0.6416 (ppp) REVERT: I 2 GLU cc_start: 0.9165 (tm-30) cc_final: 0.8807 (tm-30) REVERT: J 1 MET cc_start: 0.7689 (tmm) cc_final: 0.7301 (tmm) REVERT: K 13 ASP cc_start: 0.8898 (m-30) cc_final: 0.8671 (m-30) REVERT: M 1 MET cc_start: 0.7595 (ppp) cc_final: 0.6945 (ppp) REVERT: O 1 MET cc_start: 0.7036 (ptm) cc_final: 0.6786 (ptp) REVERT: P 2 GLU cc_start: 0.8192 (tp30) cc_final: 0.7967 (tp30) REVERT: Q 1 MET cc_start: 0.6533 (ppp) cc_final: 0.6198 (ppp) REVERT: R 1 MET cc_start: 0.7903 (tmm) cc_final: 0.6317 (tmm) REVERT: S 12 LYS cc_start: 0.8709 (tttm) cc_final: 0.8472 (tppt) REVERT: Z 1 MET cc_start: 0.7330 (tmm) cc_final: 0.6221 (tmm) REVERT: 1 9 LYS cc_start: 0.8738 (tppt) cc_final: 0.8439 (tppt) REVERT: 1 13 ASP cc_start: 0.8296 (m-30) cc_final: 0.7947 (m-30) REVERT: 2 10 PHE cc_start: 0.8991 (t80) cc_final: 0.8754 (t80) REVERT: 3 1 MET cc_start: 0.7760 (tmm) cc_final: 0.6629 (tmm) REVERT: 4 1 MET cc_start: 0.7629 (ptm) cc_final: 0.7040 (ptp) REVERT: 4 12 LYS cc_start: 0.9339 (pttm) cc_final: 0.8990 (pttp) REVERT: 7 1 MET cc_start: 0.7579 (tmm) cc_final: 0.6666 (tmm) REVERT: 9 12 LYS cc_start: 0.9044 (pttm) cc_final: 0.8800 (ttmm) REVERT: b 1 MET cc_start: 0.8541 (tmm) cc_final: 0.7259 (tmm) REVERT: b 9 LYS cc_start: 0.8796 (tmtt) cc_final: 0.8426 (tptp) REVERT: e 9 LYS cc_start: 0.9377 (mmmt) cc_final: 0.9048 (mmtm) REVERT: g 12 LYS cc_start: 0.9468 (tmtt) cc_final: 0.9123 (pttm) REVERT: h 2 GLU cc_start: 0.7372 (pp20) cc_final: 0.7017 (tp30) REVERT: i 1 MET cc_start: 0.6470 (ppp) cc_final: 0.6055 (ppp) REVERT: i 9 LYS cc_start: 0.9499 (ttmt) cc_final: 0.9053 (tmtt) REVERT: k 1 MET cc_start: 0.8376 (ptm) cc_final: 0.8011 (ptt) REVERT: k 12 LYS cc_start: 0.9036 (ptpp) cc_final: 0.8821 (pttm) REVERT: l 12 LYS cc_start: 0.8549 (mmtt) cc_final: 0.8233 (tppt) REVERT: n 1 MET cc_start: 0.7713 (tmm) cc_final: 0.6845 (tmm) REVERT: n 9 LYS cc_start: 0.8897 (tmtt) cc_final: 0.8637 (mmmm) REVERT: o 18 PHE cc_start: 0.8449 (t80) cc_final: 0.8201 (t80) REVERT: p 12 LYS cc_start: 0.8979 (tptp) cc_final: 0.8769 (tppt) REVERT: q 1 MET cc_start: 0.6622 (ppp) cc_final: 0.5993 (ptp) REVERT: s 12 LYS cc_start: 0.9311 (pttp) cc_final: 0.8881 (pttm) REVERT: w 1 MET cc_start: 0.7855 (ptm) cc_final: 0.7268 (ptp) REVERT: y 1 MET cc_start: 0.6742 (ppp) cc_final: 0.6473 (ppp) REVERT: AA 1 MET cc_start: 0.5300 (ptm) cc_final: 0.4247 (pmm) REVERT: AB 12 LYS cc_start: 0.8438 (mptt) cc_final: 0.8155 (tptt) REVERT: AC 8 PHE cc_start: 0.8460 (t80) cc_final: 0.7756 (t80) REVERT: AD 1 MET cc_start: 0.8080 (tmm) cc_final: 0.7213 (tmm) REVERT: AD 9 LYS cc_start: 0.9241 (ttmm) cc_final: 0.9020 (tppt) REVERT: AE 1 MET cc_start: 0.6656 (ptm) cc_final: 0.5826 (ptp) REVERT: AG 1 MET cc_start: 0.7188 (ppp) cc_final: 0.6811 (ppp) REVERT: AK 1 MET cc_start: 0.7413 (ppp) cc_final: 0.7189 (ppp) REVERT: AL 1 MET cc_start: 0.7942 (tmm) cc_final: 0.7010 (tmm) REVERT: AO 1 MET cc_start: 0.6815 (ppp) cc_final: 0.6461 (ppp) REVERT: AO 8 PHE cc_start: 0.8294 (t80) cc_final: 0.7699 (t80) REVERT: AP 1 MET cc_start: 0.8174 (tmm) cc_final: 0.7941 (tmm) REVERT: AQ 12 LYS cc_start: 0.9365 (tttm) cc_final: 0.9022 (tptp) REVERT: AS 8 PHE cc_start: 0.8140 (t80) cc_final: 0.7631 (t80) REVERT: AT 1 MET cc_start: 0.7043 (tmm) cc_final: 0.6244 (tmm) REVERT: AY 1 MET cc_start: 0.6289 (ptm) cc_final: 0.5317 (pmm) REVERT: AY 9 LYS cc_start: 0.9067 (ttmm) cc_final: 0.8720 (mtmm) REVERT: AY 13 ASP cc_start: 0.8998 (m-30) cc_final: 0.8527 (m-30) REVERT: A1 1 MET cc_start: 0.7734 (tmm) cc_final: 0.6500 (tmm) REVERT: A2 13 ASP cc_start: 0.8930 (m-30) cc_final: 0.8664 (m-30) REVERT: A3 1 MET cc_start: 0.6465 (ptp) cc_final: 0.6111 (ptp) REVERT: A3 12 LYS cc_start: 0.8746 (tptp) cc_final: 0.8478 (tppt) REVERT: A4 1 MET cc_start: 0.6718 (ppp) cc_final: 0.5819 (ppp) REVERT: A4 9 LYS cc_start: 0.9430 (mtmm) cc_final: 0.9098 (mtmm) REVERT: A8 1 MET cc_start: 0.6975 (ppp) cc_final: 0.6394 (ppp) REVERT: A8 8 PHE cc_start: 0.8334 (t80) cc_final: 0.7766 (t80) REVERT: A9 1 MET cc_start: 0.7970 (ttp) cc_final: 0.7435 (tmm) REVERT: BA 1 MET cc_start: 0.6508 (ptm) cc_final: 0.5553 (pmm) REVERT: BB 6 LYS cc_start: 0.9216 (tmmt) cc_final: 0.8943 (ttpp) REVERT: BD 1 MET cc_start: 0.7615 (tmm) cc_final: 0.7151 (tmm) REVERT: BE 1 MET cc_start: 0.5835 (ptm) cc_final: 0.4807 (ptp) REVERT: BG 1 MET cc_start: 0.6104 (ppp) cc_final: 0.5215 (ppp) REVERT: BI 12 LYS cc_start: 0.9422 (pttm) cc_final: 0.9203 (pptt) REVERT: BK 2 GLU cc_start: 0.7937 (tm-30) cc_final: 0.7677 (mp0) REVERT: BK 8 PHE cc_start: 0.8831 (t80) cc_final: 0.8428 (t80) REVERT: BL 1 MET cc_start: 0.7612 (tmm) cc_final: 0.6571 (tmm) REVERT: BL 9 LYS cc_start: 0.9527 (tmtt) cc_final: 0.9216 (tptp) REVERT: BM 18 PHE cc_start: 0.8448 (t80) cc_final: 0.8174 (t80) REVERT: BN 1 MET cc_start: 0.5771 (mpp) cc_final: 0.5393 (mpp) REVERT: BQ 1 MET cc_start: 0.6073 (ptm) cc_final: 0.4869 (pmm) REVERT: BR 6 LYS cc_start: 0.8700 (pttt) cc_final: 0.8471 (tttt) REVERT: BU 1 MET cc_start: 0.5270 (ptm) cc_final: 0.3870 (pmm) REVERT: BW 1 MET cc_start: 0.7546 (ppp) cc_final: 0.6649 (ppp) REVERT: BY 1 MET cc_start: 0.7319 (ptm) cc_final: 0.6665 (ptp) REVERT: BY 17 LYS cc_start: 0.8849 (ttmm) cc_final: 0.8404 (tmtt) REVERT: B0 1 MET cc_start: 0.7036 (ppp) cc_final: 0.6528 (ppp) REVERT: B1 1 MET cc_start: 0.7800 (tmm) cc_final: 0.7437 (tmm) REVERT: B4 1 MET cc_start: 0.7109 (ppp) cc_final: 0.6464 (ppp) REVERT: B5 1 MET cc_start: 0.7202 (tmm) cc_final: 0.6566 (tmm) REVERT: B7 2 GLU cc_start: 0.8003 (tp30) cc_final: 0.7761 (tp30) REVERT: B7 6 LYS cc_start: 0.9202 (tppp) cc_final: 0.8955 (mmmt) REVERT: B8 12 LYS cc_start: 0.8819 (tptm) cc_final: 0.8583 (tptp) REVERT: B9 1 MET cc_start: 0.7771 (tmm) cc_final: 0.6164 (tmm) REVERT: CG 1 MET cc_start: 0.7225 (ppp) cc_final: 0.6472 (ppp) REVERT: CI 13 ASP cc_start: 0.8511 (t0) cc_final: 0.7689 (t0) REVERT: CL 14 LEU cc_start: 0.9317 (tp) cc_final: 0.9072 (tp) REVERT: CM 1 MET cc_start: 0.7390 (ptm) cc_final: 0.6897 (ptp) REVERT: CM 12 LYS cc_start: 0.9218 (pttp) cc_final: 0.8938 (pttp) REVERT: CP 1 MET cc_start: 0.7744 (tmm) cc_final: 0.6733 (tmm) REVERT: CQ 1 MET cc_start: 0.7531 (ptm) cc_final: 0.7267 (ptp) REVERT: CS 1 MET cc_start: 0.7548 (ppp) cc_final: 0.6829 (ppp) REVERT: CS 9 LYS cc_start: 0.9683 (mtpt) cc_final: 0.9336 (ttmm) REVERT: CT 1 MET cc_start: 0.8065 (tmm) cc_final: 0.7747 (tmm) REVERT: CZ 2 GLU cc_start: 0.7269 (pp20) cc_final: 0.6836 (tp30) REVERT: C0 1 MET cc_start: 0.6438 (ppp) cc_final: 0.5833 (ppp) REVERT: C2 6 LYS cc_start: 0.9105 (ptpp) cc_final: 0.8795 (ptpp) REVERT: C3 12 LYS cc_start: 0.8359 (mmtt) cc_final: 0.7654 (tppt) REVERT: C3 17 LYS cc_start: 0.8697 (tttt) cc_final: 0.8445 (ptmm) REVERT: C4 1 MET cc_start: 0.6245 (ppp) cc_final: 0.5112 (ppp) REVERT: C6 13 ASP cc_start: 0.9059 (m-30) cc_final: 0.8755 (m-30) REVERT: C6 18 PHE cc_start: 0.8425 (t80) cc_final: 0.8090 (t80) REVERT: C8 1 MET cc_start: 0.6517 (ppp) cc_final: 0.5517 (pmm) REVERT: C9 1 MET cc_start: 0.8004 (tmm) cc_final: 0.7052 (tmm) REVERT: DE 1 MET cc_start: 0.6700 (ptm) cc_final: 0.6345 (ptt) REVERT: DE 12 LYS cc_start: 0.9334 (tttm) cc_final: 0.8888 (ttmm) REVERT: DH 1 MET cc_start: 0.8186 (tmm) cc_final: 0.7315 (tmm) REVERT: DI 1 MET cc_start: 0.8053 (ptm) cc_final: 0.6686 (ptp) REVERT: DL 1 MET cc_start: 0.8307 (tmm) cc_final: 0.6568 (tmm) REVERT: DM 1 MET cc_start: 0.4827 (ptm) cc_final: 0.3919 (pmm) REVERT: DM 17 LYS cc_start: 0.8728 (ptmt) cc_final: 0.8502 (ttpt) REVERT: DP 1 MET cc_start: 0.8602 (tmm) cc_final: 0.7732 (tmm) REVERT: DP 14 LEU cc_start: 0.8933 (tp) cc_final: 0.8726 (tt) REVERT: DQ 1 MET cc_start: 0.6417 (ptm) cc_final: 0.5772 (ptp) REVERT: DS 1 MET cc_start: 0.7176 (ppp) cc_final: 0.6800 (ppp) REVERT: DV 13 ASP cc_start: 0.7935 (t0) cc_final: 0.7550 (t0) REVERT: DX 1 MET cc_start: 0.8062 (tmm) cc_final: 0.7142 (tmm) REVERT: DX 9 LYS cc_start: 0.9193 (tptp) cc_final: 0.8934 (tppp) REVERT: D0 8 PHE cc_start: 0.8379 (t80) cc_final: 0.7948 (t80) REVERT: D2 12 LYS cc_start: 0.9199 (tttm) cc_final: 0.8841 (tptp) REVERT: D5 9 LYS cc_start: 0.9282 (tmtt) cc_final: 0.8959 (tptp) REVERT: D6 7 LEU cc_start: 0.9287 (tt) cc_final: 0.9072 (tt) REVERT: D6 9 LYS cc_start: 0.9190 (ttmm) cc_final: 0.8884 (tppt) REVERT: D7 6 LYS cc_start: 0.8866 (ttpt) cc_final: 0.8630 (ttpt) REVERT: D9 9 LYS cc_start: 0.9135 (tmtt) cc_final: 0.8872 (ttmm) REVERT: EA 13 ASP cc_start: 0.9137 (m-30) cc_final: 0.8899 (m-30) REVERT: EC 8 PHE cc_start: 0.8197 (t80) cc_final: 0.7332 (t80) REVERT: ED 1 MET cc_start: 0.7598 (tmm) cc_final: 0.7248 (tmm) REVERT: EE 13 ASP cc_start: 0.9047 (m-30) cc_final: 0.8828 (m-30) REVERT: EE 18 PHE cc_start: 0.7947 (t80) cc_final: 0.7502 (t80) REVERT: EG 1 MET cc_start: 0.6474 (ppp) cc_final: 0.6112 (ppp) REVERT: EH 1 MET cc_start: 0.8052 (tmm) cc_final: 0.7038 (tmm) REVERT: EI 6 LYS cc_start: 0.8723 (ptpp) cc_final: 0.8512 (mtmm) REVERT: EL 1 MET cc_start: 0.7913 (ttp) cc_final: 0.6874 (tmm) REVERT: EL 9 LYS cc_start: 0.9289 (tppp) cc_final: 0.8957 (tppp) REVERT: EM 1 MET cc_start: 0.6587 (ptm) cc_final: 0.5746 (ptt) REVERT: EM 13 ASP cc_start: 0.9187 (m-30) cc_final: 0.8916 (m-30) REVERT: EP 1 MET cc_start: 0.7697 (tmm) cc_final: 0.7018 (tmm) REVERT: EQ 1 MET cc_start: 0.5560 (ptm) cc_final: 0.4877 (ptp) REVERT: ES 1 MET cc_start: 0.5979 (ppp) cc_final: 0.5177 (ppp) REVERT: ET 1 MET cc_start: 0.8067 (tmm) cc_final: 0.7471 (tmm) REVERT: EU 1 MET cc_start: 0.6768 (ptm) cc_final: 0.6430 (ptt) REVERT: EX 1 MET cc_start: 0.8139 (tmm) cc_final: 0.7541 (tmm) REVERT: EX 9 LYS cc_start: 0.9542 (tmtt) cc_final: 0.9242 (tptp) REVERT: EY 1 MET cc_start: 0.7386 (ptm) cc_final: 0.6545 (ptp) REVERT: EZ 6 LYS cc_start: 0.9357 (ttpp) cc_final: 0.9077 (ttpt) REVERT: E1 9 LYS cc_start: 0.9202 (tmtt) cc_final: 0.8818 (ttmm) REVERT: E2 1 MET cc_start: 0.6499 (ptm) cc_final: 0.5849 (ptp) REVERT: E5 1 MET cc_start: 0.6757 (ttt) cc_final: 0.6339 (tmm) REVERT: E5 4 VAL cc_start: 0.8953 (t) cc_final: 0.8699 (t) REVERT: E6 1 MET cc_start: 0.5148 (ptm) cc_final: 0.3904 (pmm) REVERT: E8 1 MET cc_start: 0.7477 (ppp) cc_final: 0.6581 (ppp) REVERT: E8 8 PHE cc_start: 0.8013 (t80) cc_final: 0.7642 (t80) REVERT: E9 1 MET cc_start: 0.7265 (tmm) cc_final: 0.6248 (tmm) REVERT: FA 1 MET cc_start: 0.7330 (ptm) cc_final: 0.6359 (ptp) REVERT: FA 9 LYS cc_start: 0.7649 (tptp) cc_final: 0.6143 (tppt) REVERT: FC 1 MET cc_start: 0.7118 (ppp) cc_final: 0.6380 (ppp) REVERT: FC 2 GLU cc_start: 0.9078 (tm-30) cc_final: 0.8836 (tm-30) REVERT: FD 1 MET cc_start: 0.7823 (tmm) cc_final: 0.7351 (tmm) REVERT: FD 10 PHE cc_start: 0.8357 (t80) cc_final: 0.8152 (t80) REVERT: FE 11 PHE cc_start: 0.7833 (m-80) cc_final: 0.6633 (m-80) REVERT: FG 1 MET cc_start: 0.7339 (ppp) cc_final: 0.6879 (ppp) REVERT: FH 1 MET cc_start: 0.7751 (tmm) cc_final: 0.6746 (tmm) REVERT: FI 1 MET cc_start: 0.6896 (ptm) cc_final: 0.6421 (ptp) REVERT: FK 1 MET cc_start: 0.6524 (ppp) cc_final: 0.6260 (ppp) REVERT: FL 1 MET cc_start: 0.8140 (tmm) cc_final: 0.6795 (tmm) REVERT: FM 11 PHE cc_start: 0.8189 (m-10) cc_final: 0.7980 (m-80) REVERT: FS 1 MET cc_start: 0.7281 (ppp) cc_final: 0.6562 (ppp) REVERT: FU 12 LYS cc_start: 0.9311 (pttp) cc_final: 0.9035 (pptt) REVERT: FU 13 ASP cc_start: 0.8670 (m-30) cc_final: 0.8455 (m-30) REVERT: FV 9 LYS cc_start: 0.8973 (tppt) cc_final: 0.8393 (tppt) REVERT: FV 13 ASP cc_start: 0.8414 (m-30) cc_final: 0.8095 (m-30) REVERT: FY 1 MET cc_start: 0.7445 (ptm) cc_final: 0.6851 (ptp) REVERT: F1 1 MET cc_start: 0.7491 (ttp) cc_final: 0.7188 (tmm) REVERT: F2 1 MET cc_start: 0.7313 (ptm) cc_final: 0.6803 (ptp) REVERT: F2 6 LYS cc_start: 0.9336 (mmmt) cc_final: 0.8967 (mmmm) REVERT: F2 12 LYS cc_start: 0.9110 (tmmt) cc_final: 0.8685 (pttp) REVERT: F3 6 LYS cc_start: 0.9036 (mtmt) cc_final: 0.8680 (mtmt) REVERT: F5 1 MET cc_start: 0.8616 (tmm) cc_final: 0.8353 (tmm) REVERT: F7 17 LYS cc_start: 0.8921 (mtpp) cc_final: 0.8533 (mptt) REVERT: F8 1 MET cc_start: 0.7061 (ppp) cc_final: 0.6422 (ppp) REVERT: F9 1 MET cc_start: 0.7464 (tmm) cc_final: 0.6920 (tmm) REVERT: GA 13 ASP cc_start: 0.9112 (m-30) cc_final: 0.8851 (m-30) REVERT: GC 1 MET cc_start: 0.6682 (ppp) cc_final: 0.5714 (ppp) REVERT: GD 1 MET cc_start: 0.7491 (tmm) cc_final: 0.6361 (tmm) REVERT: GE 1 MET cc_start: 0.8070 (ptm) cc_final: 0.7676 (ptt) REVERT: GF 12 LYS cc_start: 0.8667 (mmtt) cc_final: 0.8338 (tppt) REVERT: GH 1 MET cc_start: 0.7405 (tmm) cc_final: 0.6514 (tmm) REVERT: GI 9 LYS cc_start: 0.9228 (ttmm) cc_final: 0.8893 (mtmm) REVERT: GI 12 LYS cc_start: 0.9367 (pttp) cc_final: 0.8952 (pttm) REVERT: GI 13 ASP cc_start: 0.8914 (m-30) cc_final: 0.8528 (m-30) REVERT: GJ 12 LYS cc_start: 0.8844 (tptp) cc_final: 0.8522 (tppt) REVERT: GL 9 LYS cc_start: 0.9182 (tmtt) cc_final: 0.8820 (tptp) REVERT: GM 12 LYS cc_start: 0.8924 (pttp) cc_final: 0.8595 (pttm) REVERT: GO 8 PHE cc_start: 0.8092 (t80) cc_final: 0.7010 (t80) REVERT: GO 9 LYS cc_start: 0.9179 (mptt) cc_final: 0.8915 (mmtm) REVERT: GQ 1 MET cc_start: 0.6620 (ptm) cc_final: 0.5707 (ptt) REVERT: GQ 12 LYS cc_start: 0.9208 (tttm) cc_final: 0.8803 (ttmt) REVERT: GQ 18 PHE cc_start: 0.8518 (t80) cc_final: 0.8316 (t80) REVERT: GS 1 MET cc_start: 0.6560 (ppp) cc_final: 0.5973 (ppp) REVERT: GT 1 MET cc_start: 0.8093 (tmm) cc_final: 0.7114 (tmm) REVERT: GU 1 MET cc_start: 0.7972 (ptm) cc_final: 0.7271 (ptp) REVERT: GX 1 MET cc_start: 0.8268 (tmm) cc_final: 0.7043 (tmm) REVERT: GY 17 LYS cc_start: 0.8937 (ttmt) cc_final: 0.8472 (ttpt) REVERT: GY 18 PHE cc_start: 0.8514 (t80) cc_final: 0.8223 (t80) REVERT: G0 1 MET cc_start: 0.7440 (ppp) cc_final: 0.6955 (ppp) REVERT: G1 1 MET cc_start: 0.8397 (tmm) cc_final: 0.7531 (tmm) REVERT: G2 1 MET cc_start: 0.6489 (ptm) cc_final: 0.5942 (ptp) REVERT: G4 1 MET cc_start: 0.7024 (ppp) cc_final: 0.6740 (ppp) REVERT: G5 1 MET cc_start: 0.7488 (tmm) cc_final: 0.6645 (tmm) REVERT: G6 12 LYS cc_start: 0.9420 (tmtt) cc_final: 0.9172 (tptp) REVERT: HA 1 MET cc_start: 0.6167 (ptp) cc_final: 0.5553 (ptp) REVERT: HA 9 LYS cc_start: 0.8850 (mtmm) cc_final: 0.8366 (mttp) REVERT: HC 1 MET cc_start: 0.6896 (ppp) cc_final: 0.6388 (ppp) REVERT: HE 12 LYS cc_start: 0.9327 (tttm) cc_final: 0.9107 (tptp) REVERT: HI 12 LYS cc_start: 0.9141 (tttm) cc_final: 0.8406 (tppt) REVERT: HL 1 MET cc_start: 0.8169 (tmm) cc_final: 0.7922 (tmm) REVERT: HM 9 LYS cc_start: 0.9085 (ttmm) cc_final: 0.8648 (ptpp) REVERT: HM 12 LYS cc_start: 0.9414 (pttp) cc_final: 0.9094 (pptt) REVERT: HM 13 ASP cc_start: 0.9047 (m-30) cc_final: 0.8343 (m-30) REVERT: HN 12 LYS cc_start: 0.8663 (mmtt) cc_final: 0.8293 (tppt) REVERT: HO 8 PHE cc_start: 0.8403 (t80) cc_final: 0.7813 (t80) REVERT: HP 9 LYS cc_start: 0.9390 (tmtt) cc_final: 0.9086 (tptp) REVERT: HT 1 MET cc_start: 0.8143 (tmm) cc_final: 0.6810 (tmm) REVERT: HY 1 MET cc_start: 0.6742 (ptm) cc_final: 0.6130 (ptp) REVERT: HY 6 LYS cc_start: 0.9232 (mtmm) cc_final: 0.8945 (mtmm) REVERT: HY 13 ASP cc_start: 0.9162 (m-30) cc_final: 0.8929 (m-30) REVERT: H1 1 MET cc_start: 0.7727 (tmm) cc_final: 0.6914 (tmm) REVERT: H2 1 MET cc_start: 0.5825 (ptm) cc_final: 0.5046 (ptp) REVERT: H8 2 GLU cc_start: 0.8340 (tm-30) cc_final: 0.7581 (mp0) REVERT: H9 1 MET cc_start: 0.7800 (tmm) cc_final: 0.7590 (tmm) REVERT: H9 9 LYS cc_start: 0.9470 (tmtt) cc_final: 0.9140 (tptp) REVERT: H9 10 PHE cc_start: 0.9174 (t80) cc_final: 0.8959 (t80) REVERT: IA 1 MET cc_start: 0.7416 (ptm) cc_final: 0.6775 (ptp) REVERT: IA 17 LYS cc_start: 0.8769 (ttpt) cc_final: 0.7784 (mmmt) REVERT: IB 1 MET cc_start: 0.6151 (mpp) cc_final: 0.5905 (mpp) REVERT: ID 1 MET cc_start: 0.6631 (tmm) cc_final: 0.5829 (tmm) REVERT: ID 4 VAL cc_start: 0.8802 (p) cc_final: 0.8506 (p) REVERT: IE 1 MET cc_start: 0.6392 (ptm) cc_final: 0.4757 (pmm) REVERT: IH 10 PHE cc_start: 0.8588 (t80) cc_final: 0.8321 (t80) REVERT: II 1 MET cc_start: 0.5298 (ptm) cc_final: 0.3953 (pmm) REVERT: II 7 LEU cc_start: 0.9320 (tt) cc_final: 0.9063 (tt) REVERT: II 12 LYS cc_start: 0.9356 (pttm) cc_final: 0.9124 (pttm) REVERT: II 13 ASP cc_start: 0.8802 (m-30) cc_final: 0.8443 (m-30) REVERT: IJ 2 GLU cc_start: 0.7008 (pm20) cc_final: 0.6750 (mp0) REVERT: IL 10 PHE cc_start: 0.8045 (t80) cc_final: 0.7769 (t80) REVERT: IM 1 MET cc_start: 0.6888 (ptm) cc_final: 0.6656 (ptp) REVERT: IM 17 LYS cc_start: 0.8885 (ttmm) cc_final: 0.8499 (tmtt) REVERT: IP 1 MET cc_start: 0.7712 (ttp) cc_final: 0.7065 (tmm) REVERT: IS 1 MET cc_start: 0.7369 (ppp) cc_final: 0.6560 (ppp) REVERT: IS 6 LYS cc_start: 0.8977 (tppt) cc_final: 0.8748 (ttpt) REVERT: IU 1 MET cc_start: 0.6833 (ptm) cc_final: 0.6517 (ptp) REVERT: IU 17 LYS cc_start: 0.8912 (mmtt) cc_final: 0.8700 (mmtt) REVERT: IW 8 PHE cc_start: 0.8434 (t80) cc_final: 0.8130 (t80) REVERT: IX 1 MET cc_start: 0.7753 (tmm) cc_final: 0.6297 (tmm) REVERT: IX 10 PHE cc_start: 0.9000 (t80) cc_final: 0.8734 (t80) REVERT: I0 1 MET cc_start: 0.6832 (ppp) cc_final: 0.6563 (pmm) REVERT: I0 9 LYS cc_start: 0.9638 (mtpt) cc_final: 0.9078 (mmmm) REVERT: I1 1 MET cc_start: 0.7855 (tmm) cc_final: 0.7017 (tmm) REVERT: I4 1 MET cc_start: 0.6927 (ppp) cc_final: 0.6148 (ppp) REVERT: I9 1 MET cc_start: 0.7758 (tmm) cc_final: 0.6711 (tmm) REVERT: I9 9 LYS cc_start: 0.8835 (tmtt) cc_final: 0.8616 (mtpp) REVERT: JA 1 MET cc_start: 0.7475 (ptm) cc_final: 0.7156 (ptp) REVERT: JA 12 LYS cc_start: 0.9282 (tttm) cc_final: 0.9079 (pttm) REVERT: JD 1 MET cc_start: 0.7563 (tmm) cc_final: 0.7022 (tmm) REVERT: JD 9 LYS cc_start: 0.9303 (tmtt) cc_final: 0.8990 (tptt) REVERT: JE 6 LYS cc_start: 0.9260 (mmmt) cc_final: 0.8994 (mmmm) REVERT: JH 1 MET cc_start: 0.8171 (tmm) cc_final: 0.7096 (tmm) REVERT: JI 1 MET cc_start: 0.7675 (ptm) cc_final: 0.6684 (pmm) REVERT: JM 1 MET cc_start: 0.8006 (ptm) cc_final: 0.7413 (ptp) REVERT: JM 13 ASP cc_start: 0.9163 (m-30) cc_final: 0.8908 (m-30) REVERT: JO 1 MET cc_start: 0.6599 (ppp) cc_final: 0.6050 (ppp) REVERT: JP 1 MET cc_start: 0.7781 (tmm) cc_final: 0.6860 (tmm) REVERT: JR 12 LYS cc_start: 0.8472 (mmtt) cc_final: 0.7894 (tppt) REVERT: JS 1 MET cc_start: 0.6768 (ppp) cc_final: 0.6006 (ppp) REVERT: JT 1 MET cc_start: 0.7709 (tmm) cc_final: 0.6714 (tmm) REVERT: JU 18 PHE cc_start: 0.8540 (t80) cc_final: 0.8267 (t80) REVERT: JV 12 LYS cc_start: 0.8996 (tptp) cc_final: 0.8667 (tppt) REVERT: JW 1 MET cc_start: 0.6983 (ppp) cc_final: 0.6505 (ppp) REVERT: JX 1 MET cc_start: 0.8235 (tmm) cc_final: 0.7088 (tmm) REVERT: JY 12 LYS cc_start: 0.9239 (tttm) cc_final: 0.9005 (pttm) REVERT: J0 1 MET cc_start: 0.6398 (ppp) cc_final: 0.5925 (ppp) REVERT: J2 1 MET cc_start: 0.6804 (ptm) cc_final: 0.6228 (ptt) REVERT: J3 12 LYS cc_start: 0.8703 (mmtt) cc_final: 0.8328 (tppt) REVERT: J5 1 MET cc_start: 0.7835 (tmm) cc_final: 0.7018 (tmm) REVERT: J6 13 ASP cc_start: 0.8669 (m-30) cc_final: 0.8417 (m-30) REVERT: J9 1 MET cc_start: 0.8020 (tmm) cc_final: 0.6382 (tmm) REVERT: KC 1 MET cc_start: 0.7177 (ppp) cc_final: 0.6588 (ppp) REVERT: KC 8 PHE cc_start: 0.8324 (t80) cc_final: 0.8031 (t80) REVERT: KD 1 MET cc_start: 0.8226 (tmm) cc_final: 0.7084 (tmm) REVERT: KE 1 MET cc_start: 0.6588 (ptm) cc_final: 0.6131 (ptp) REVERT: KE 13 ASP cc_start: 0.8952 (m-30) cc_final: 0.8657 (m-30) REVERT: KI 6 LYS cc_start: 0.8915 (ptpp) cc_final: 0.8617 (mtmm) REVERT: KK 1 MET cc_start: 0.7355 (ppp) cc_final: 0.7044 (ppp) REVERT: KL 1 MET cc_start: 0.7739 (ttp) cc_final: 0.7338 (tmm) REVERT: KO 1 MET cc_start: 0.6674 (ppp) cc_final: 0.5916 (ppp) REVERT: KO 8 PHE cc_start: 0.8213 (t80) cc_final: 0.7714 (t80) REVERT: KP 1 MET cc_start: 0.8042 (tmm) cc_final: 0.6942 (tmm) REVERT: KQ 12 LYS cc_start: 0.9283 (tttm) cc_final: 0.8969 (tptp) REVERT: KR 1 MET cc_start: 0.7086 (ptp) cc_final: 0.6532 (ptp) REVERT: KU 1 MET cc_start: 0.7134 (ptm) cc_final: 0.6884 (ptm) REVERT: KU 11 PHE cc_start: 0.8073 (m-80) cc_final: 0.7810 (m-80) REVERT: KV 6 LYS cc_start: 0.8779 (ttpt) cc_final: 0.8443 (ttpt) REVERT: KX 9 LYS cc_start: 0.8923 (mmpt) cc_final: 0.8711 (mtmt) REVERT: KY 9 LYS cc_start: 0.8891 (ttmm) cc_final: 0.8683 (mtmm) REVERT: KY 13 ASP cc_start: 0.9062 (m-30) cc_final: 0.8751 (m-30) REVERT: KZ 12 LYS cc_start: 0.8546 (mmtt) cc_final: 0.7916 (mppt) REVERT: K0 1 MET cc_start: 0.6866 (ptp) cc_final: 0.6503 (ptt) REVERT: K1 9 LYS cc_start: 0.9401 (tmtt) cc_final: 0.8976 (tptm) REVERT: K2 13 ASP cc_start: 0.9010 (m-30) cc_final: 0.8781 (m-30) REVERT: K4 1 MET cc_start: 0.6142 (ppp) cc_final: 0.5637 (ppp) REVERT: K8 1 MET cc_start: 0.6981 (ppp) cc_final: 0.6562 (ppp) REVERT: K9 1 MET cc_start: 0.7975 (tmm) cc_final: 0.7587 (tmm) REVERT: LA 1 MET cc_start: 0.7225 (ptm) cc_final: 0.5811 (pmm) REVERT: LC 1 MET cc_start: 0.5120 (ptp) cc_final: 0.4497 (ptt) REVERT: LD 1 MET cc_start: 0.7541 (tmm) cc_final: 0.6940 (tmm) REVERT: LE 1 MET cc_start: 0.5452 (ptm) cc_final: 0.4794 (ptp) REVERT: LG 1 MET cc_start: 0.5661 (ppp) cc_final: 0.4841 (ppp) REVERT: LH 1 MET cc_start: 0.8119 (tmm) cc_final: 0.7161 (tmm) REVERT: LK 2 GLU cc_start: 0.8167 (tm-30) cc_final: 0.7745 (mp0) REVERT: LL 1 MET cc_start: 0.7678 (tmm) cc_final: 0.6868 (tmm) REVERT: LL 9 LYS cc_start: 0.9546 (tmtt) cc_final: 0.9202 (tptp) REVERT: LM 1 MET cc_start: 0.7438 (ptm) cc_final: 0.6959 (ptp) REVERT: LM 17 LYS cc_start: 0.8969 (tttm) cc_final: 0.8726 (tttm) REVERT: LN 6 LYS cc_start: 0.9243 (tppt) cc_final: 0.8937 (ttpt) REVERT: LQ 1 MET cc_start: 0.6460 (ptm) cc_final: 0.5391 (ptp) REVERT: LQ 2 GLU cc_start: 0.7841 (pp20) cc_final: 0.7574 (pp20) REVERT: LR 17 LYS cc_start: 0.8572 (mtpp) cc_final: 0.8106 (mmtm) REVERT: LT 4 VAL cc_start: 0.9088 (t) cc_final: 0.8727 (t) REVERT: LT 9 LYS cc_start: 0.9298 (tmtt) cc_final: 0.9050 (tptp) REVERT: LT 14 LEU cc_start: 0.8863 (tp) cc_final: 0.8530 (tt) REVERT: LU 1 MET cc_start: 0.5118 (ptm) cc_final: 0.3780 (pmm) REVERT: LU 12 LYS cc_start: 0.9217 (tttm) cc_final: 0.8902 (pttp) REVERT: LW 1 MET cc_start: 0.7377 (ppp) cc_final: 0.7069 (ppp) REVERT: LX 1 MET cc_start: 0.7494 (tmm) cc_final: 0.6558 (tmm) REVERT: LY 1 MET cc_start: 0.7127 (ptm) cc_final: 0.6485 (ptp) REVERT: LY 17 LYS cc_start: 0.8804 (ttmm) cc_final: 0.8373 (tmtt) REVERT: LZ 6 LYS cc_start: 0.6757 (tmtt) cc_final: 0.5913 (tttt) REVERT: L0 8 PHE cc_start: 0.8336 (t80) cc_final: 0.7838 (t80) REVERT: L1 1 MET cc_start: 0.7640 (tmm) cc_final: 0.7112 (tmm) REVERT: L1 10 PHE cc_start: 0.8503 (t80) cc_final: 0.8099 (t80) REVERT: L2 11 PHE cc_start: 0.7897 (m-10) cc_final: 0.7674 (m-80) REVERT: L2 13 ASP cc_start: 0.8972 (m-30) cc_final: 0.8586 (m-30) REVERT: L4 1 MET cc_start: 0.7079 (ppp) cc_final: 0.6463 (ppp) REVERT: L5 1 MET cc_start: 0.7252 (tmm) cc_final: 0.6026 (tmm) REVERT: L5 10 PHE cc_start: 0.8745 (t80) cc_final: 0.8523 (t80) REVERT: L6 1 MET cc_start: 0.7395 (ptm) cc_final: 0.6710 (ptp) REVERT: L6 12 LYS cc_start: 0.9443 (pptt) cc_final: 0.9078 (pptt) REVERT: L9 1 MET cc_start: 0.7694 (tmm) cc_final: 0.6593 (tmm) REVERT: MC 9 LYS cc_start: 0.9589 (mtpt) cc_final: 0.9219 (mmmt) REVERT: ME 6 LYS cc_start: 0.9280 (ptpp) cc_final: 0.9046 (mtmm) REVERT: ME 12 LYS cc_start: 0.9420 (pttp) cc_final: 0.8972 (pptt) REVERT: ME 17 LYS cc_start: 0.8863 (ttpt) cc_final: 0.8662 (ttpt) REVERT: MF 17 LYS cc_start: 0.8880 (mtpp) cc_final: 0.8636 (mtpp) REVERT: MG 1 MET cc_start: 0.7118 (ppp) cc_final: 0.6226 (ppp) REVERT: MH 1 MET cc_start: 0.7235 (tmm) cc_final: 0.6086 (tmm) REVERT: MJ 9 LYS cc_start: 0.8600 (tptp) cc_final: 0.8362 (tppt) REVERT: ML 1 MET cc_start: 0.7981 (tmm) cc_final: 0.7267 (tmm) REVERT: ML 9 LYS cc_start: 0.8752 (tmtt) cc_final: 0.8517 (mmtm) REVERT: MM 1 MET cc_start: 0.7640 (ptm) cc_final: 0.7141 (ptp) REVERT: MM 12 LYS cc_start: 0.9283 (pttm) cc_final: 0.8875 (pttp) REVERT: MQ 1 MET cc_start: 0.7410 (ptm) cc_final: 0.7098 (ptt) REVERT: MQ 17 LYS cc_start: 0.8574 (ttpt) cc_final: 0.8228 (ttpt) REVERT: MU 17 LYS cc_start: 0.8928 (ttmt) cc_final: 0.8648 (ttpt) REVERT: MW 1 MET cc_start: 0.6623 (ppp) cc_final: 0.6179 (ppp) REVERT: MZ 2 GLU cc_start: 0.7137 (pp20) cc_final: 0.6792 (tp30) REVERT: M0 1 MET cc_start: 0.6823 (ppp) cc_final: 0.5878 (ppp) REVERT: M1 1 MET cc_start: 0.7551 (tmm) cc_final: 0.6255 (tmm) REVERT: M1 9 LYS cc_start: 0.9381 (tmtt) cc_final: 0.9171 (tptp) REVERT: M2 18 PHE cc_start: 0.8152 (t80) cc_final: 0.7924 (t80) REVERT: M3 12 LYS cc_start: 0.8583 (mmtt) cc_final: 0.8056 (tppt) REVERT: M4 1 MET cc_start: 0.6299 (ppp) cc_final: 0.6023 (ppp) REVERT: M5 1 MET cc_start: 0.7651 (tmm) cc_final: 0.6637 (tmm) REVERT: M5 9 LYS cc_start: 0.9049 (tmtt) cc_final: 0.8806 (ttmm) REVERT: M6 13 ASP cc_start: 0.8902 (m-30) cc_final: 0.8638 (m-30) REVERT: M8 1 MET cc_start: 0.7239 (ppp) cc_final: 0.6907 (ppp) REVERT: M9 1 MET cc_start: 0.8418 (tmm) cc_final: 0.7134 (tmm) REVERT: M9 4 VAL cc_start: 0.8976 (p) cc_final: 0.8707 (p) REVERT: NC 8 PHE cc_start: 0.8234 (t80) cc_final: 0.7762 (t80) REVERT: NE 12 LYS cc_start: 0.9308 (tttm) cc_final: 0.8968 (ttmm) REVERT: NF 12 LYS cc_start: 0.8674 (mmtt) cc_final: 0.8294 (tppt) REVERT: NG 1 MET cc_start: 0.6994 (ppp) cc_final: 0.5692 (ppp) REVERT: NH 1 MET cc_start: 0.8081 (tmm) cc_final: 0.7117 (tmm) REVERT: NI 1 MET cc_start: 0.8199 (ptm) cc_final: 0.7104 (ptp) REVERT: NL 1 MET cc_start: 0.8225 (tmm) cc_final: 0.6647 (tmm) REVERT: NM 1 MET cc_start: 0.4562 (ptm) cc_final: 0.4024 (pmm) REVERT: NO 1 MET cc_start: 0.7166 (ppp) cc_final: 0.6362 (ppp) REVERT: NP 1 MET cc_start: 0.8192 (tmm) cc_final: 0.7179 (tmm) REVERT: NU 1 MET cc_start: 0.6650 (ptm) cc_final: 0.6113 (ptp) REVERT: N0 1 MET cc_start: 0.6976 (ppp) cc_final: 0.6274 (ppp) REVERT: N2 1 MET cc_start: 0.6045 (ptm) cc_final: 0.5809 (ptm) REVERT: N2 11 PHE cc_start: 0.7579 (m-10) cc_final: 0.7364 (m-10) REVERT: N2 12 LYS cc_start: 0.9179 (tttm) cc_final: 0.8825 (tptp) REVERT: N4 8 PHE cc_start: 0.8294 (t80) cc_final: 0.7928 (t80) REVERT: N5 1 MET cc_start: 0.7611 (tmm) cc_final: 0.6786 (tmm) REVERT: N6 9 LYS cc_start: 0.8885 (tppt) cc_final: 0.8572 (tppt) REVERT: OA 1 MET cc_start: 0.6431 (ptm) cc_final: 0.5488 (pmm) REVERT: OA 13 ASP cc_start: 0.8996 (m-30) cc_final: 0.8480 (m-30) REVERT: OC 8 PHE cc_start: 0.8238 (t80) cc_final: 0.7606 (t80) REVERT: OD 1 MET cc_start: 0.8097 (tmm) cc_final: 0.6754 (tmm) REVERT: OD 4 VAL cc_start: 0.8885 (p) cc_final: 0.8611 (p) REVERT: OG 1 MET cc_start: 0.6593 (ppp) cc_final: 0.6258 (ppp) REVERT: OJ 12 LYS cc_start: 0.8965 (ptmt) cc_final: 0.8706 (ttpp) REVERT: OK 1 MET cc_start: 0.7165 (ppp) cc_final: 0.6567 (ppp) REVERT: OM 1 MET cc_start: 0.7102 (ptm) cc_final: 0.5786 (pmm) REVERT: OM 12 LYS cc_start: 0.9148 (pttp) cc_final: 0.8811 (pptt) REVERT: OM 13 ASP cc_start: 0.9144 (m-30) cc_final: 0.8572 (m-30) REVERT: OP 1 MET cc_start: 0.7701 (tmm) cc_final: 0.7031 (tmm) REVERT: OQ 1 MET cc_start: 0.6064 (ptm) cc_final: 0.5407 (ptp) REVERT: OS 1 MET cc_start: 0.6159 (ppp) cc_final: 0.5420 (ppp) REVERT: OT 1 MET cc_start: 0.8248 (tmm) cc_final: 0.7370 (tmm) REVERT: OU 6 LYS cc_start: 0.9141 (ptpp) cc_final: 0.8910 (ptpp) REVERT: OW 1 MET cc_start: 0.6197 (ppp) cc_final: 0.5355 (pmm) REVERT: OX 1 MET cc_start: 0.7549 (tmm) cc_final: 0.6782 (tmm) REVERT: OY 1 MET cc_start: 0.7031 (ptm) cc_final: 0.6564 (ptp) REVERT: OZ 1 MET cc_start: 0.5664 (mpp) cc_final: 0.5260 (mpp) REVERT: OZ 2 GLU cc_start: 0.7113 (pm20) cc_final: 0.6753 (mt-10) REVERT: O1 1 MET cc_start: 0.6661 (tmm) cc_final: 0.6144 (tmm) REVERT: O2 1 MET cc_start: 0.6464 (ptt) cc_final: 0.5192 (pmm) REVERT: O5 14 LEU cc_start: 0.8837 (tp) cc_final: 0.8596 (tt) REVERT: O6 1 MET cc_start: 0.6155 (ptm) cc_final: 0.4982 (pmm) REVERT: O6 6 LYS cc_start: 0.9199 (ptpp) cc_final: 0.8959 (mtmm) REVERT: O8 1 MET cc_start: 0.7310 (ppp) cc_final: 0.6454 (ppp) REVERT: O9 1 MET cc_start: 0.7663 (tmm) cc_final: 0.6605 (tmm) REVERT: PA 1 MET cc_start: 0.7230 (ptm) cc_final: 0.6285 (ptp) REVERT: PB 6 LYS cc_start: 0.6108 (tmtt) cc_final: 0.5250 (tttt) REVERT: PD 1 MET cc_start: 0.7729 (tmm) cc_final: 0.7293 (tmm) REVERT: PE 11 PHE cc_start: 0.7847 (m-80) cc_final: 0.7159 (m-80) REVERT: PG 1 MET cc_start: 0.7450 (ppp) cc_final: 0.6796 (ppp) REVERT: PH 1 MET cc_start: 0.7218 (tmm) cc_final: 0.5981 (tmm) REVERT: PJ 2 GLU cc_start: 0.8233 (tp30) cc_final: 0.7872 (tp30) REVERT: PJ 17 LYS cc_start: 0.9036 (mtpt) cc_final: 0.8500 (mmtm) REVERT: PL 1 MET cc_start: 0.7859 (tmm) cc_final: 0.6510 (tmm) REVERT: PO 1 MET cc_start: 0.6729 (ppp) cc_final: 0.5843 (ppp) REVERT: PO 9 LYS cc_start: 0.9553 (mtpt) cc_final: 0.9112 (mmmm) REVERT: PP 1 MET cc_start: 0.7485 (tmm) cc_final: 0.6077 (tmm) REVERT: PQ 1 MET cc_start: 0.7237 (ptm) cc_final: 0.6262 (pmm) REVERT: PR 17 LYS cc_start: 0.8677 (mmmm) cc_final: 0.8469 (mmtt) REVERT: PS 1 MET cc_start: 0.7449 (ppp) cc_final: 0.6871 (ppp) REVERT: PT 1 MET cc_start: 0.7287 (tmm) cc_final: 0.5681 (tmm) REVERT: PV 6 LYS cc_start: 0.8807 (mttt) cc_final: 0.8549 (mtmt) REVERT: PX 1 MET cc_start: 0.7736 (tmm) cc_final: 0.6966 (tmm) REVERT: PY 1 MET cc_start: 0.7457 (ptm) cc_final: 0.7222 (ptp) REVERT: PY 12 LYS cc_start: 0.9237 (pttm) cc_final: 0.9035 (pttp) REVERT: P1 1 MET cc_start: 0.7515 (tmm) cc_final: 0.6828 (tmm) REVERT: P2 1 MET cc_start: 0.7677 (ptm) cc_final: 0.7140 (ptp) REVERT: P6 1 MET cc_start: 0.7619 (ptm) cc_final: 0.6828 (pmm) REVERT: P8 1 MET cc_start: 0.7059 (ppp) cc_final: 0.6653 (ppp) REVERT: P9 1 MET cc_start: 0.7639 (ttp) cc_final: 0.6908 (tmm) REVERT: QA 13 ASP cc_start: 0.9064 (m-30) cc_final: 0.8766 (m-30) REVERT: QB 2 GLU cc_start: 0.6973 (pp20) cc_final: 0.6523 (tp30) REVERT: QF 12 LYS cc_start: 0.8504 (mmtt) cc_final: 0.7978 (tppt) REVERT: QH 1 MET cc_start: 0.7621 (tmm) cc_final: 0.6742 (tmm) REVERT: QI 13 ASP cc_start: 0.9002 (m-30) cc_final: 0.8691 (m-30) REVERT: QJ 12 LYS cc_start: 0.9212 (tmtt) cc_final: 0.8838 (tppt) REVERT: QM 12 LYS cc_start: 0.9288 (tmtt) cc_final: 0.8913 (pttm) REVERT: QO 1 MET cc_start: 0.6559 (ppp) cc_final: 0.6122 (ppp) REVERT: QQ 6 LYS cc_start: 0.9336 (mmmm) cc_final: 0.9093 (mmmm) REVERT: QS 1 MET cc_start: 0.7084 (ppp) cc_final: 0.6428 (ppp) REVERT: QT 1 MET cc_start: 0.8204 (tmm) cc_final: 0.7415 (tmm) REVERT: QU 1 MET cc_start: 0.8372 (ptm) cc_final: 0.6786 (ptp) REVERT: QW 1 MET cc_start: 0.6330 (ppp) cc_final: 0.5842 (ppp) REVERT: QX 1 MET cc_start: 0.8315 (tmm) cc_final: 0.6739 (tmm) REVERT: QY 1 MET cc_start: 0.5824 (ptm) cc_final: 0.5601 (ptm) REVERT: Q2 1 MET cc_start: 0.6576 (ptm) cc_final: 0.5735 (ptp) REVERT: Q4 1 MET cc_start: 0.7038 (ppp) cc_final: 0.6774 (ppp) REVERT: Q5 1 MET cc_start: 0.8072 (tmm) cc_final: 0.6690 (tmm) REVERT: Q8 1 MET cc_start: 0.7136 (ppp) cc_final: 0.6758 (ppp) REVERT: Q9 3 PHE cc_start: 0.8080 (m-10) cc_final: 0.7870 (m-10) REVERT: Q9 9 LYS cc_start: 0.9192 (tppp) cc_final: 0.8862 (tptp) REVERT: RA 6 LYS cc_start: 0.9000 (mtmm) cc_final: 0.8696 (pttm) REVERT: RE 11 PHE cc_start: 0.7660 (m-10) cc_final: 0.7341 (m-80) REVERT: RE 12 LYS cc_start: 0.9226 (tttm) cc_final: 0.8895 (tptp) REVERT: RH 9 LYS cc_start: 0.9347 (tmtt) cc_final: 0.8921 (tptp) REVERT: RL 1 MET cc_start: 0.8478 (tmm) cc_final: 0.7135 (tmm) REVERT: RM 9 LYS cc_start: 0.9091 (ttmm) cc_final: 0.8778 (mtmm) REVERT: RM 13 ASP cc_start: 0.8947 (m-30) cc_final: 0.8507 (m-30) REVERT: RN 12 LYS cc_start: 0.8675 (mmtt) cc_final: 0.8109 (tppt) REVERT: RO 8 PHE cc_start: 0.8417 (t80) cc_final: 0.7788 (t80) REVERT: RP 1 MET cc_start: 0.8101 (tmm) cc_final: 0.6775 (tmm) REVERT: RQ 13 ASP cc_start: 0.8972 (m-30) cc_final: 0.8749 (m-30) REVERT: RS 1 MET cc_start: 0.6276 (ppp) cc_final: 0.5386 (ppp) REVERT: RT 10 PHE cc_start: 0.8784 (t80) cc_final: 0.8535 (t80) REVERT: RV 6 LYS cc_start: 0.9526 (tttt) cc_final: 0.9286 (tttt) REVERT: RW 1 MET cc_start: 0.6920 (ppp) cc_final: 0.6338 (ppp) REVERT: RY 1 MET cc_start: 0.6745 (ptm) cc_final: 0.5816 (pmm) REVERT: RY 13 ASP cc_start: 0.9050 (m-30) cc_final: 0.8658 (m-30) REVERT: RZ 9 LYS cc_start: 0.9124 (tptp) cc_final: 0.8825 (tptp) REVERT: R1 1 MET cc_start: 0.7496 (tmm) cc_final: 0.7121 (tmm) REVERT: R2 1 MET cc_start: 0.5672 (ptm) cc_final: 0.4881 (ptp) REVERT: R5 1 MET cc_start: 0.8119 (tmm) cc_final: 0.6825 (tmm) REVERT: R8 1 MET cc_start: 0.6656 (ppp) cc_final: 0.6186 (ppp) REVERT: R9 9 LYS cc_start: 0.9479 (tmtt) cc_final: 0.9182 (tptp) REVERT: SA 1 MET cc_start: 0.7555 (ptm) cc_final: 0.6795 (ptp) REVERT: SA 17 LYS cc_start: 0.8765 (ttpt) cc_final: 0.7732 (mmmt) REVERT: SE 1 MET cc_start: 0.6668 (ptm) cc_final: 0.6308 (ptp) REVERT: SI 1 MET cc_start: 0.5531 (ptm) cc_final: 0.4268 (pmm) REVERT: SL 1 MET cc_start: 0.7403 (tmm) cc_final: 0.6619 (tmm) REVERT: SM 1 MET cc_start: 0.7410 (ptm) cc_final: 0.6641 (ptp) REVERT: SM 17 LYS cc_start: 0.8783 (ttmm) cc_final: 0.8501 (tmtt) REVERT: SN 6 LYS cc_start: 0.6219 (tmtt) cc_final: 0.5430 (tttt) REVERT: SO 1 MET cc_start: 0.7406 (ppp) cc_final: 0.6444 (ppp) REVERT: SO 2 GLU cc_start: 0.9163 (tm-30) cc_final: 0.8961 (tp30) REVERT: ST 1 MET cc_start: 0.7334 (tmm) cc_final: 0.6703 (tmm) REVERT: SU 1 MET cc_start: 0.7168 (ptm) cc_final: 0.6719 (ptp) REVERT: SU 13 ASP cc_start: 0.8619 (m-30) cc_final: 0.8390 (m-30) REVERT: SW 10 PHE cc_start: 0.8756 (t80) cc_final: 0.8534 (t80) REVERT: SX 1 MET cc_start: 0.8001 (tmm) cc_final: 0.6546 (tmm) REVERT: S2 1 MET cc_start: 0.6923 (ptm) cc_final: 0.6186 (pmm) REVERT: S5 1 MET cc_start: 0.7407 (tmm) cc_final: 0.5741 (tmm) REVERT: TA 1 MET cc_start: 0.7302 (ptm) cc_final: 0.6356 (pmm) REVERT: TD 9 LYS cc_start: 0.9322 (tttm) cc_final: 0.9114 (tttm) REVERT: TI 1 MET cc_start: 0.7592 (ptm) cc_final: 0.6957 (pmm) REVERT: TK 1 MET cc_start: 0.6273 (ppp) cc_final: 0.5488 (ppp) REVERT: TM 13 ASP cc_start: 0.9155 (m-30) cc_final: 0.8861 (m-30) REVERT: TP 1 MET cc_start: 0.7571 (tmm) cc_final: 0.6630 (tmm) REVERT: TR 17 LYS cc_start: 0.8511 (ptmm) cc_final: 0.7936 (pttp) REVERT: TS 1 MET cc_start: 0.6585 (ppp) cc_final: 0.5758 (ppp) REVERT: TT 1 MET cc_start: 0.7907 (tmm) cc_final: 0.7189 (tmm) REVERT: TU 7 LEU cc_start: 0.9097 (tt) cc_final: 0.8873 (tt) REVERT: TU 13 ASP cc_start: 0.9037 (m-30) cc_final: 0.8820 (m-30) REVERT: T0 1 MET cc_start: 0.6391 (ppp) cc_final: 0.5252 (ppp) REVERT: T0 8 PHE cc_start: 0.8067 (t80) cc_final: 0.7253 (t80) REVERT: T5 1 MET cc_start: 0.8236 (tmm) cc_final: 0.7360 (tmm) REVERT: T6 1 MET cc_start: 0.7890 (ptm) cc_final: 0.7520 (ptp) REVERT: T9 1 MET cc_start: 0.7953 (tmm) cc_final: 0.6249 (tmm) REVERT: UA 1 MET cc_start: 0.5830 (ptm) cc_final: 0.5474 (ptm) REVERT: UB 1 MET cc_start: 0.7298 (ptp) cc_final: 0.7093 (ptp) REVERT: UC 1 MET cc_start: 0.7168 (ppp) cc_final: 0.6669 (ppp) REVERT: UD 1 MET cc_start: 0.8328 (tmm) cc_final: 0.7284 (tmm) REVERT: UE 1 MET cc_start: 0.6311 (ptm) cc_final: 0.5703 (ptp) REVERT: UE 13 ASP cc_start: 0.8857 (m-30) cc_final: 0.8606 (m-30) REVERT: UG 1 MET cc_start: 0.7061 (ppp) cc_final: 0.6768 (ppp) REVERT: UH 1 MET cc_start: 0.7790 (tmm) cc_final: 0.6924 (tmm) REVERT: UK 1 MET cc_start: 0.7164 (ppp) cc_final: 0.6796 (ppp) REVERT: UO 1 MET cc_start: 0.6627 (ppp) cc_final: 0.6227 (ppp) REVERT: UO 8 PHE cc_start: 0.8247 (t80) cc_final: 0.7243 (t80) REVERT: UO 9 LYS cc_start: 0.9061 (mtmm) cc_final: 0.8804 (mtmm) REVERT: UP 1 MET cc_start: 0.8164 (tmm) cc_final: 0.6770 (tmm) REVERT: UQ 1 MET cc_start: 0.6100 (ptm) cc_final: 0.5771 (ptm) REVERT: UQ 11 PHE cc_start: 0.7957 (m-10) cc_final: 0.7643 (m-80) REVERT: UQ 12 LYS cc_start: 0.9199 (tttm) cc_final: 0.8968 (tptp) REVERT: UQ 13 ASP cc_start: 0.8839 (t0) cc_final: 0.8626 (t0) REVERT: UY 9 LYS cc_start: 0.9018 (ttmm) cc_final: 0.8589 (mtmm) REVERT: UY 12 LYS cc_start: 0.9440 (pttp) cc_final: 0.9099 (pttm) REVERT: UY 13 ASP cc_start: 0.9026 (m-30) cc_final: 0.8487 (m-30) REVERT: U0 8 PHE cc_start: 0.8482 (t80) cc_final: 0.8062 (t80) REVERT: U1 1 MET cc_start: 0.8107 (tmm) cc_final: 0.6558 (tmm) REVERT: U2 12 LYS cc_start: 0.9266 (pptt) cc_final: 0.8876 (pptt) REVERT: U4 1 MET cc_start: 0.6529 (ppp) cc_final: 0.5655 (ppp) REVERT: VA 1 MET cc_start: 0.7156 (ptm) cc_final: 0.6580 (ptm) REVERT: VA 12 LYS cc_start: 0.9159 (pttp) cc_final: 0.8914 (pptt) REVERT: VA 13 ASP cc_start: 0.9157 (m-30) cc_final: 0.8840 (m-30) REVERT: VB 6 LYS cc_start: 0.9295 (tmmt) cc_final: 0.9047 (ttpp) REVERT: VC 1 MET cc_start: 0.4850 (ptp) cc_final: 0.4640 (ptt) REVERT: VD 1 MET cc_start: 0.8082 (tmm) cc_final: 0.7231 (tmm) REVERT: VE 1 MET cc_start: 0.5619 (ptm) cc_final: 0.4869 (ptp) REVERT: VG 1 MET cc_start: 0.5890 (ppp) cc_final: 0.5131 (ppp) REVERT: VK 2 GLU cc_start: 0.8654 (tm-30) cc_final: 0.7792 (mp0) REVERT: VL 9 LYS cc_start: 0.9483 (tmtt) cc_final: 0.9159 (tptp) REVERT: VM 13 ASP cc_start: 0.8738 (m-30) cc_final: 0.8402 (m-30) REVERT: VM 17 LYS cc_start: 0.8795 (ttpt) cc_final: 0.8149 (mmmt) REVERT: VQ 1 MET cc_start: 0.5916 (ptm) cc_final: 0.4610 (pmm) REVERT: VR 17 LYS cc_start: 0.8464 (mtpp) cc_final: 0.8129 (mmtm) REVERT: VS 1 MET cc_start: 0.5661 (ptp) cc_final: 0.5443 (ptt) REVERT: VU 1 MET cc_start: 0.6351 (ptm) cc_final: 0.4923 (pmm) outliers start: 0 outliers final: 0 residues processed: 5155 average time/residue: 1.3488 time to fit residues: 11890.7507 Evaluate side-chains 3845 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3845 time to evaluate : 14.017 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1510 optimal weight: 0.8980 chunk 1149 optimal weight: 7.9990 chunk 793 optimal weight: 6.9990 chunk 169 optimal weight: 1.9990 chunk 729 optimal weight: 7.9990 chunk 1026 optimal weight: 4.9990 chunk 1533 optimal weight: 9.9990 chunk 1623 optimal weight: 4.9990 chunk 801 optimal weight: 5.9990 chunk 1453 optimal weight: 8.9990 chunk 437 optimal weight: 6.9990 overall best weight: 3.7788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** b 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 21 ASN CT 21 ASN F5 21 ASN H2 21 ASN MT 21 ASN TH 21 ASN VB 21 ASN Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8090 moved from start: 0.5612 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.043 151200 Z= 0.264 Angle : 0.566 9.352 198240 Z= 0.284 Chirality : 0.030 0.165 20160 Planarity : 0.002 0.015 23520 Dihedral : 4.508 19.611 16800 Min Nonbonded Distance : 2.222 Molprobity Statistics. All-atom Clashscore : 17.31 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.42 % Favored : 99.58 % Rotamer: Outliers : 0.00 % Allowed : 5.07 % Favored : 94.93 % 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: 1.54 (0.06), residues: 15960 helix: 1.73 (0.04), residues: 13034 sheet: None (None), residues: 0 loop : -2.32 (0.09), residues: 2926 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.034 0.002 PHE 3 10 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4836 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4836 time to evaluate : 13.639 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: C 12 LYS cc_start: 0.9320 (tttm) cc_final: 0.8946 (ttmt) REVERT: E 1 MET cc_start: 0.7433 (ppp) cc_final: 0.6434 (ppp) REVERT: F 1 MET cc_start: 0.7605 (tmm) cc_final: 0.6804 (tmm) REVERT: G 1 MET cc_start: 0.6996 (ptm) cc_final: 0.6270 (ptp) REVERT: G 17 LYS cc_start: 0.9006 (ttmm) cc_final: 0.8479 (tmtt) REVERT: I 2 GLU cc_start: 0.9184 (tm-30) cc_final: 0.8807 (tm-30) REVERT: J 1 MET cc_start: 0.7562 (tmm) cc_final: 0.7014 (tmm) REVERT: K 13 ASP cc_start: 0.8914 (m-30) cc_final: 0.8704 (m-30) REVERT: L 17 LYS cc_start: 0.8954 (mtpp) cc_final: 0.8602 (mmtm) REVERT: M 1 MET cc_start: 0.7825 (ppp) cc_final: 0.6986 (ppp) REVERT: N 1 MET cc_start: 0.7304 (tmm) cc_final: 0.6624 (tmm) REVERT: N 10 PHE cc_start: 0.8802 (t80) cc_final: 0.8578 (t80) REVERT: O 1 MET cc_start: 0.7269 (ptm) cc_final: 0.6899 (ptp) REVERT: P 2 GLU cc_start: 0.8252 (tp30) cc_final: 0.8047 (tp30) REVERT: Q 1 MET cc_start: 0.6672 (ppp) cc_final: 0.6344 (ppp) REVERT: R 1 MET cc_start: 0.8180 (tmm) cc_final: 0.7121 (tmm) REVERT: W 6 LYS cc_start: 0.9243 (ptpp) cc_final: 0.9004 (pttp) REVERT: Z 1 MET cc_start: 0.7278 (tmm) cc_final: 0.6866 (tmm) REVERT: 1 6 LYS cc_start: 0.9188 (ttpt) cc_final: 0.8959 (mttt) REVERT: 1 9 LYS cc_start: 0.8813 (tppt) cc_final: 0.8405 (tppt) REVERT: 1 13 ASP cc_start: 0.8403 (m-30) cc_final: 0.7921 (m-30) REVERT: 2 10 PHE cc_start: 0.8925 (t80) cc_final: 0.8677 (t80) REVERT: 3 1 MET cc_start: 0.7825 (tmm) cc_final: 0.7026 (tmm) REVERT: 4 1 MET cc_start: 0.7548 (ptm) cc_final: 0.7079 (ptp) REVERT: 4 12 LYS cc_start: 0.9307 (pttm) cc_final: 0.8888 (pttm) REVERT: 5 1 MET cc_start: 0.8337 (tmm) cc_final: 0.8015 (tmm) REVERT: 5 13 ASP cc_start: 0.7910 (t0) cc_final: 0.7706 (t0) REVERT: 7 1 MET cc_start: 0.7413 (tmm) cc_final: 0.6667 (tmm) REVERT: 9 12 LYS cc_start: 0.9084 (pttm) cc_final: 0.8781 (ttmm) REVERT: b 1 MET cc_start: 0.8312 (tmm) cc_final: 0.7439 (tmm) REVERT: c 12 LYS cc_start: 0.9273 (pttm) cc_final: 0.8968 (pttm) REVERT: c 17 LYS cc_start: 0.8884 (ttpt) cc_final: 0.8498 (ttpt) REVERT: d 13 ASP cc_start: 0.8012 (m-30) cc_final: 0.7661 (m-30) REVERT: d 14 LEU cc_start: 0.7550 (tt) cc_final: 0.6970 (tt) REVERT: e 9 LYS cc_start: 0.9358 (mmmt) cc_final: 0.9105 (mmtm) REVERT: g 12 LYS cc_start: 0.9489 (tmtt) cc_final: 0.9213 (pttm) REVERT: h 2 GLU cc_start: 0.7279 (pp20) cc_final: 0.6949 (tp30) REVERT: i 1 MET cc_start: 0.6717 (ppp) cc_final: 0.6248 (ppp) REVERT: n 1 MET cc_start: 0.7781 (tmm) cc_final: 0.7302 (tmm) REVERT: q 1 MET cc_start: 0.6728 (ppp) cc_final: 0.6238 (ppp) REVERT: s 12 LYS cc_start: 0.9300 (pttp) cc_final: 0.8971 (pttm) REVERT: v 1 MET cc_start: 0.8625 (tmm) cc_final: 0.7618 (tmm) REVERT: w 1 MET cc_start: 0.7819 (ptm) cc_final: 0.7091 (ptp) REVERT: w 6 LYS cc_start: 0.9364 (mtpp) cc_final: 0.9134 (mmmm) REVERT: y 1 MET cc_start: 0.6875 (ppp) cc_final: 0.6442 (ppp) REVERT: z 1 MET cc_start: 0.8231 (tmm) cc_final: 0.6821 (tmm) REVERT: AA 1 MET cc_start: 0.5250 (ptm) cc_final: 0.4239 (pmm) REVERT: AD 1 MET cc_start: 0.8426 (tmm) cc_final: 0.7472 (tmm) REVERT: AE 1 MET cc_start: 0.6797 (ptm) cc_final: 0.5865 (ptp) REVERT: AE 13 ASP cc_start: 0.8704 (m-30) cc_final: 0.8451 (m-30) REVERT: AG 1 MET cc_start: 0.7179 (ppp) cc_final: 0.6761 (ppp) REVERT: AK 1 MET cc_start: 0.7401 (ppp) cc_final: 0.6912 (ppp) REVERT: AL 1 MET cc_start: 0.8094 (tmm) cc_final: 0.7033 (tmm) REVERT: AO 1 MET cc_start: 0.7100 (ppp) cc_final: 0.6382 (ppp) REVERT: AO 8 PHE cc_start: 0.8370 (t80) cc_final: 0.7789 (t80) REVERT: AP 1 MET cc_start: 0.8121 (tmm) cc_final: 0.7005 (tmm) REVERT: AQ 12 LYS cc_start: 0.9258 (tttm) cc_final: 0.8993 (tptp) REVERT: AT 1 MET cc_start: 0.7607 (tmm) cc_final: 0.6616 (tmm) REVERT: AX 1 MET cc_start: 0.8157 (tmm) cc_final: 0.6877 (tmm) REVERT: AY 1 MET cc_start: 0.6434 (ptm) cc_final: 0.5143 (pmm) REVERT: AY 9 LYS cc_start: 0.8999 (ttmm) cc_final: 0.8696 (mtmm) REVERT: AY 13 ASP cc_start: 0.8883 (m-30) cc_final: 0.8617 (m-30) REVERT: A1 1 MET cc_start: 0.7936 (tmm) cc_final: 0.7003 (tmm) REVERT: A2 13 ASP cc_start: 0.8942 (m-30) cc_final: 0.8688 (m-30) REVERT: A3 12 LYS cc_start: 0.8611 (tptp) cc_final: 0.8386 (tppt) REVERT: A4 1 MET cc_start: 0.6749 (ppp) cc_final: 0.5791 (ppp) REVERT: A4 9 LYS cc_start: 0.9461 (mtmm) cc_final: 0.9136 (mtmm) REVERT: A5 1 MET cc_start: 0.7974 (tmm) cc_final: 0.6743 (tmm) REVERT: A6 1 MET cc_start: 0.7630 (ptp) cc_final: 0.7304 (pmm) REVERT: A8 1 MET cc_start: 0.7161 (ppp) cc_final: 0.6361 (ppp) REVERT: A8 8 PHE cc_start: 0.8315 (t80) cc_final: 0.8023 (t80) REVERT: BA 1 MET cc_start: 0.6490 (ptm) cc_final: 0.5041 (pmm) REVERT: BA 13 ASP cc_start: 0.9143 (m-30) cc_final: 0.8723 (m-30) REVERT: BB 6 LYS cc_start: 0.9178 (tmmt) cc_final: 0.8947 (ttpp) REVERT: BE 1 MET cc_start: 0.5522 (ptm) cc_final: 0.4834 (ptp) REVERT: BF 6 LYS cc_start: 0.8963 (pttt) cc_final: 0.8105 (pttt) REVERT: BH 1 MET cc_start: 0.8250 (tmm) cc_final: 0.7042 (tmm) REVERT: BK 2 GLU cc_start: 0.7970 (tm-30) cc_final: 0.7591 (mp0) REVERT: BK 8 PHE cc_start: 0.8859 (t80) cc_final: 0.8159 (t80) REVERT: BL 1 MET cc_start: 0.7844 (tmm) cc_final: 0.6828 (tmm) REVERT: BL 9 LYS cc_start: 0.9492 (tmtt) cc_final: 0.9175 (tptp) REVERT: BQ 1 MET cc_start: 0.6091 (ptm) cc_final: 0.5169 (ptp) REVERT: BU 1 MET cc_start: 0.5382 (ptm) cc_final: 0.4628 (ptp) REVERT: BW 1 MET cc_start: 0.7642 (ppp) cc_final: 0.6759 (ppp) REVERT: BX 1 MET cc_start: 0.7335 (tmm) cc_final: 0.6361 (tmm) REVERT: BY 1 MET cc_start: 0.7184 (ptm) cc_final: 0.6375 (ptp) REVERT: BY 17 LYS cc_start: 0.8783 (ttmm) cc_final: 0.8439 (tmtt) REVERT: BZ 6 LYS cc_start: 0.6088 (tmtt) cc_final: 0.5155 (tttt) REVERT: BZ 9 LYS cc_start: 0.9271 (tptp) cc_final: 0.9064 (tptp) REVERT: B1 1 MET cc_start: 0.8069 (tmm) cc_final: 0.7595 (tmm) REVERT: B1 14 LEU cc_start: 0.8502 (mm) cc_final: 0.8197 (tp) REVERT: B3 1 MET cc_start: 0.8253 (ppp) cc_final: 0.8008 (ppp) REVERT: B4 1 MET cc_start: 0.7536 (ppp) cc_final: 0.6693 (ppp) REVERT: B5 1 MET cc_start: 0.7273 (tmm) cc_final: 0.5752 (tmm) REVERT: B7 2 GLU cc_start: 0.8289 (tp30) cc_final: 0.8075 (tp30) REVERT: B9 1 MET cc_start: 0.7916 (tmm) cc_final: 0.6459 (tmm) REVERT: CC 8 PHE cc_start: 0.8576 (t80) cc_final: 0.8253 (t80) REVERT: CD 1 MET cc_start: 0.7952 (tmm) cc_final: 0.6676 (tmm) REVERT: CE 12 LYS cc_start: 0.9258 (ptmm) cc_final: 0.8993 (pptt) REVERT: CG 1 MET cc_start: 0.7287 (ppp) cc_final: 0.6532 (ppp) REVERT: CH 1 MET cc_start: 0.7362 (tmm) cc_final: 0.5792 (tmm) REVERT: CI 13 ASP cc_start: 0.8526 (t0) cc_final: 0.7656 (t0) REVERT: CM 12 LYS cc_start: 0.9190 (pttp) cc_final: 0.8953 (pttp) REVERT: CP 1 MET cc_start: 0.7877 (tmm) cc_final: 0.7128 (tmm) REVERT: CQ 1 MET cc_start: 0.7440 (ptm) cc_final: 0.7120 (ptp) REVERT: CS 1 MET cc_start: 0.7719 (ppp) cc_final: 0.7019 (ppp) REVERT: CS 9 LYS cc_start: 0.9675 (mtpt) cc_final: 0.9349 (ttmm) REVERT: CT 1 MET cc_start: 0.8369 (tmm) cc_final: 0.7464 (tmm) REVERT: CZ 2 GLU cc_start: 0.7327 (pp20) cc_final: 0.7049 (tp30) REVERT: C1 1 MET cc_start: 0.7618 (tmm) cc_final: 0.6243 (tmm) REVERT: C3 17 LYS cc_start: 0.8635 (tttt) cc_final: 0.8238 (tttp) REVERT: C4 1 MET cc_start: 0.6660 (ppp) cc_final: 0.6241 (ppp) REVERT: C5 1 MET cc_start: 0.8008 (tmm) cc_final: 0.7155 (tmm) REVERT: C6 13 ASP cc_start: 0.9057 (m-30) cc_final: 0.8771 (m-30) REVERT: C7 12 LYS cc_start: 0.8861 (tptp) cc_final: 0.8519 (tppt) REVERT: C9 1 MET cc_start: 0.8346 (tmm) cc_final: 0.7431 (tmm) REVERT: DD 1 MET cc_start: 0.8224 (tmm) cc_final: 0.7215 (tmm) REVERT: DE 1 MET cc_start: 0.6741 (ptm) cc_final: 0.6366 (ptt) REVERT: DE 12 LYS cc_start: 0.9356 (tttm) cc_final: 0.8920 (ttmm) REVERT: DH 1 MET cc_start: 0.8654 (tmm) cc_final: 0.7840 (tmm) REVERT: DI 1 MET cc_start: 0.8151 (ptm) cc_final: 0.6643 (ptp) REVERT: DL 1 MET cc_start: 0.8378 (tmm) cc_final: 0.6635 (tmm) REVERT: DM 1 MET cc_start: 0.4682 (ptm) cc_final: 0.4041 (pmm) REVERT: DP 1 MET cc_start: 0.8627 (tmm) cc_final: 0.7799 (tmm) REVERT: DP 14 LEU cc_start: 0.9022 (tp) cc_final: 0.8798 (tt) REVERT: DQ 1 MET cc_start: 0.6123 (ptm) cc_final: 0.5852 (ptp) REVERT: DS 1 MET cc_start: 0.7201 (ppp) cc_final: 0.6757 (ppp) REVERT: DX 1 MET cc_start: 0.8138 (tmm) cc_final: 0.7203 (tmm) REVERT: DY 1 MET cc_start: 0.6902 (ptp) cc_final: 0.6291 (ptp) REVERT: D0 8 PHE cc_start: 0.8398 (t80) cc_final: 0.7667 (t80) REVERT: D0 9 LYS cc_start: 0.9018 (mtmm) cc_final: 0.8808 (mtmm) REVERT: D1 1 MET cc_start: 0.8154 (tmm) cc_final: 0.6570 (tmm) REVERT: D2 12 LYS cc_start: 0.9227 (tttm) cc_final: 0.8844 (tptp) REVERT: D5 1 MET cc_start: 0.7876 (tmm) cc_final: 0.7038 (tmm) REVERT: D5 9 LYS cc_start: 0.9337 (tmtt) cc_final: 0.8980 (tptp) REVERT: D6 1 MET cc_start: 0.7439 (ptm) cc_final: 0.6927 (ptm) REVERT: D9 1 MET cc_start: 0.8220 (tmm) cc_final: 0.7187 (tmm) REVERT: EA 13 ASP cc_start: 0.9125 (m-30) cc_final: 0.8894 (m-30) REVERT: EB 12 LYS cc_start: 0.8920 (mmtp) cc_final: 0.8697 (tppt) REVERT: EC 8 PHE cc_start: 0.8187 (t80) cc_final: 0.7422 (t80) REVERT: ED 1 MET cc_start: 0.7826 (tmm) cc_final: 0.7067 (tmm) REVERT: EG 1 MET cc_start: 0.6626 (ppp) cc_final: 0.6210 (ppp) REVERT: EH 1 MET cc_start: 0.8321 (tmm) cc_final: 0.7387 (tmm) REVERT: EK 1 MET cc_start: 0.6727 (ppp) cc_final: 0.6446 (ppp) REVERT: EM 12 LYS cc_start: 0.9204 (pttp) cc_final: 0.8927 (pptt) REVERT: EM 13 ASP cc_start: 0.9228 (m-30) cc_final: 0.8708 (m-30) REVERT: EO 9 LYS cc_start: 0.9300 (mmmt) cc_final: 0.9074 (mmmt) REVERT: EP 1 MET cc_start: 0.7826 (tmm) cc_final: 0.7182 (tmm) REVERT: EQ 1 MET cc_start: 0.5912 (ptm) cc_final: 0.5061 (ptp) REVERT: ER 2 GLU cc_start: 0.8060 (tp30) cc_final: 0.7757 (mp0) REVERT: ES 1 MET cc_start: 0.6070 (ppp) cc_final: 0.4998 (ppp) REVERT: ET 1 MET cc_start: 0.8131 (tmm) cc_final: 0.7582 (tmm) REVERT: EX 1 MET cc_start: 0.8200 (tmm) cc_final: 0.7846 (tmm) REVERT: EX 9 LYS cc_start: 0.9490 (tmtt) cc_final: 0.9114 (tptp) REVERT: EY 1 MET cc_start: 0.7552 (ptm) cc_final: 0.6678 (ptp) REVERT: EZ 6 LYS cc_start: 0.9355 (ttpp) cc_final: 0.9100 (ttpt) REVERT: E1 1 MET cc_start: 0.7024 (tmm) cc_final: 0.6676 (tmm) REVERT: E1 4 VAL cc_start: 0.8905 (t) cc_final: 0.8656 (t) REVERT: E1 9 LYS cc_start: 0.9176 (tmtt) cc_final: 0.8746 (ttmm) REVERT: E2 1 MET cc_start: 0.6384 (ptm) cc_final: 0.5249 (ptp) REVERT: E5 4 VAL cc_start: 0.9054 (t) cc_final: 0.8790 (t) REVERT: E6 1 MET cc_start: 0.5488 (ptm) cc_final: 0.3958 (pmm) REVERT: E8 1 MET cc_start: 0.7694 (ppp) cc_final: 0.6734 (ppp) REVERT: E8 2 GLU cc_start: 0.8878 (tm-30) cc_final: 0.8611 (tm-30) REVERT: E9 1 MET cc_start: 0.7645 (tmm) cc_final: 0.6597 (tmm) REVERT: FA 1 MET cc_start: 0.6715 (ptm) cc_final: 0.6014 (ptp) REVERT: FA 9 LYS cc_start: 0.7543 (tptp) cc_final: 0.7161 (tppt) REVERT: FC 1 MET cc_start: 0.7227 (ppp) cc_final: 0.6109 (ppp) REVERT: FD 1 MET cc_start: 0.8039 (tmm) cc_final: 0.7197 (tmm) REVERT: FD 10 PHE cc_start: 0.8496 (t80) cc_final: 0.8195 (t80) REVERT: FE 11 PHE cc_start: 0.8001 (m-80) cc_final: 0.7083 (m-80) REVERT: FG 1 MET cc_start: 0.7644 (ppp) cc_final: 0.7045 (ppp) REVERT: FH 1 MET cc_start: 0.7973 (tmm) cc_final: 0.7249 (tmm) REVERT: FH 10 PHE cc_start: 0.8762 (t80) cc_final: 0.8537 (t80) REVERT: FI 1 MET cc_start: 0.6944 (ptm) cc_final: 0.6674 (ptp) REVERT: FK 1 MET cc_start: 0.6696 (ppp) cc_final: 0.6474 (ppp) REVERT: FL 1 MET cc_start: 0.8088 (tmm) cc_final: 0.6694 (tmm) REVERT: FQ 6 LYS cc_start: 0.9189 (ptpp) cc_final: 0.8733 (mtmt) REVERT: FQ 11 PHE cc_start: 0.7905 (m-10) cc_final: 0.7656 (m-80) REVERT: FS 1 MET cc_start: 0.7245 (ppp) cc_final: 0.6496 (ppp) REVERT: FT 1 MET cc_start: 0.7029 (ttp) cc_final: 0.6376 (tmm) REVERT: FV 9 LYS cc_start: 0.8915 (tppt) cc_final: 0.8309 (tppt) REVERT: FV 13 ASP cc_start: 0.8455 (m-30) cc_final: 0.7897 (m-30) REVERT: FX 1 MET cc_start: 0.7737 (tmm) cc_final: 0.6801 (tmm) REVERT: FY 1 MET cc_start: 0.7686 (ptm) cc_final: 0.7041 (ptp) REVERT: FZ 17 LYS cc_start: 0.9003 (tttp) cc_final: 0.8794 (ptmm) REVERT: F1 9 LYS cc_start: 0.9294 (tttm) cc_final: 0.9058 (tttm) REVERT: F2 1 MET cc_start: 0.7421 (ptm) cc_final: 0.6860 (ptt) REVERT: F2 6 LYS cc_start: 0.9405 (mmmt) cc_final: 0.9033 (mmmt) REVERT: F2 12 LYS cc_start: 0.9118 (tmmt) cc_final: 0.8687 (pttp) REVERT: F5 1 MET cc_start: 0.8467 (tmm) cc_final: 0.7961 (tmm) REVERT: F8 1 MET cc_start: 0.7271 (ppp) cc_final: 0.6594 (ppp) REVERT: F8 8 PHE cc_start: 0.8685 (t80) cc_final: 0.8472 (t80) REVERT: GA 13 ASP cc_start: 0.9034 (m-30) cc_final: 0.8780 (m-30) REVERT: GB 17 LYS cc_start: 0.8979 (mmmm) cc_final: 0.8760 (pttp) REVERT: GC 1 MET cc_start: 0.6831 (ppp) cc_final: 0.5748 (ppp) REVERT: GD 1 MET cc_start: 0.7817 (tmm) cc_final: 0.6577 (tmm) REVERT: GH 1 MET cc_start: 0.7782 (tmm) cc_final: 0.7037 (tmm) REVERT: GI 9 LYS cc_start: 0.9194 (ttmm) cc_final: 0.8838 (mtmm) REVERT: GI 12 LYS cc_start: 0.9366 (pttp) cc_final: 0.8968 (pttm) REVERT: GI 13 ASP cc_start: 0.8887 (m-30) cc_final: 0.8504 (m-30) REVERT: GK 1 MET cc_start: 0.6896 (ppp) cc_final: 0.6499 (ppp) REVERT: GL 1 MET cc_start: 0.7929 (tmm) cc_final: 0.6819 (tmm) REVERT: GM 12 LYS cc_start: 0.9073 (pttp) cc_final: 0.8691 (pttm) REVERT: GP 1 MET cc_start: 0.8214 (tmm) cc_final: 0.6999 (tmm) REVERT: GQ 1 MET cc_start: 0.6836 (ptm) cc_final: 0.5940 (ptt) REVERT: GQ 2 GLU cc_start: 0.7956 (tm-30) cc_final: 0.7754 (tm-30) REVERT: GQ 12 LYS cc_start: 0.9247 (tttm) cc_final: 0.8904 (ttmt) REVERT: GR 12 LYS cc_start: 0.8657 (mmtt) cc_final: 0.8299 (tppt) REVERT: GT 1 MET cc_start: 0.8565 (tmm) cc_final: 0.7689 (tmm) REVERT: GU 1 MET cc_start: 0.8116 (ptm) cc_final: 0.7352 (ptp) REVERT: GX 1 MET cc_start: 0.8236 (tmm) cc_final: 0.7183 (tmm) REVERT: G0 1 MET cc_start: 0.7384 (ppp) cc_final: 0.6712 (ppp) REVERT: G1 1 MET cc_start: 0.8532 (tmm) cc_final: 0.7823 (tmm) REVERT: G2 1 MET cc_start: 0.6615 (ptm) cc_final: 0.5962 (ptp) REVERT: G2 12 LYS cc_start: 0.9208 (tmtt) cc_final: 0.9005 (mttm) REVERT: G3 1 MET cc_start: 0.7996 (tmm) cc_final: 0.7586 (tmm) REVERT: G4 1 MET cc_start: 0.7082 (ppp) cc_final: 0.6699 (ppp) REVERT: G5 1 MET cc_start: 0.7828 (tmm) cc_final: 0.7017 (tmm) REVERT: G6 1 MET cc_start: 0.6957 (ptp) cc_final: 0.6683 (ptp) REVERT: G6 12 LYS cc_start: 0.9529 (tmtt) cc_final: 0.9194 (tptp) REVERT: HC 1 MET cc_start: 0.7288 (ppp) cc_final: 0.6651 (ppp) REVERT: HD 1 MET cc_start: 0.7988 (tmm) cc_final: 0.6862 (tmm) REVERT: HE 12 LYS cc_start: 0.9278 (tttm) cc_final: 0.9078 (tptp) REVERT: HI 13 ASP cc_start: 0.8815 (m-30) cc_final: 0.8598 (m-30) REVERT: HL 1 MET cc_start: 0.8243 (tmm) cc_final: 0.7178 (tmm) REVERT: HM 6 LYS cc_start: 0.9285 (mtmm) cc_final: 0.8953 (mtmm) REVERT: HM 9 LYS cc_start: 0.9114 (ttmm) cc_final: 0.8886 (ptpp) REVERT: HM 12 LYS cc_start: 0.9442 (pttp) cc_final: 0.9198 (pttm) REVERT: HM 13 ASP cc_start: 0.9030 (m-30) cc_final: 0.8767 (m-30) REVERT: HP 1 MET cc_start: 0.8192 (tmm) cc_final: 0.6849 (tmm) REVERT: HP 9 LYS cc_start: 0.9393 (tmtt) cc_final: 0.9004 (tptp) REVERT: HS 8 PHE cc_start: 0.8643 (t80) cc_final: 0.8310 (t80) REVERT: HT 1 MET cc_start: 0.8241 (tmm) cc_final: 0.7060 (tmm) REVERT: HW 1 MET cc_start: 0.7177 (ppp) cc_final: 0.6913 (ppp) REVERT: HY 1 MET cc_start: 0.6659 (ptm) cc_final: 0.6067 (ptp) REVERT: HY 13 ASP cc_start: 0.9054 (m-30) cc_final: 0.8776 (m-30) REVERT: H1 1 MET cc_start: 0.7915 (tmm) cc_final: 0.6874 (tmm) REVERT: H2 1 MET cc_start: 0.6045 (ptm) cc_final: 0.5078 (ptp) REVERT: H8 2 GLU cc_start: 0.8169 (tm-30) cc_final: 0.7484 (mp0) REVERT: H9 1 MET cc_start: 0.8113 (tmm) cc_final: 0.7143 (tmm) REVERT: IA 1 MET cc_start: 0.7383 (ptm) cc_final: 0.6727 (ptp) REVERT: IA 17 LYS cc_start: 0.8675 (ttpt) cc_final: 0.7744 (mmmt) REVERT: ID 1 MET cc_start: 0.6573 (tmm) cc_final: 0.5860 (tmm) REVERT: ID 4 VAL cc_start: 0.8789 (p) cc_final: 0.8566 (p) REVERT: IE 1 MET cc_start: 0.5800 (ptm) cc_final: 0.5388 (ptp) REVERT: IH 1 MET cc_start: 0.6484 (tmm) cc_final: 0.6012 (tmm) REVERT: IH 4 VAL cc_start: 0.9002 (t) cc_final: 0.8680 (t) REVERT: II 1 MET cc_start: 0.5670 (ptm) cc_final: 0.4745 (ptp) REVERT: IK 1 MET cc_start: 0.7341 (ppp) cc_final: 0.7045 (ppp) REVERT: IL 1 MET cc_start: 0.7346 (tmm) cc_final: 0.5912 (tmm) REVERT: IM 1 MET cc_start: 0.7023 (ptm) cc_final: 0.6582 (ptp) REVERT: IM 17 LYS cc_start: 0.8964 (ttmm) cc_final: 0.8511 (tmtt) REVERT: IP 1 MET cc_start: 0.7729 (ttp) cc_final: 0.7175 (tmm) REVERT: IS 1 MET cc_start: 0.7391 (ppp) cc_final: 0.6466 (ppp) REVERT: IS 6 LYS cc_start: 0.9032 (tppt) cc_final: 0.8773 (mtmt) REVERT: IT 1 MET cc_start: 0.7466 (tmm) cc_final: 0.6894 (tmm) REVERT: IU 1 MET cc_start: 0.6630 (ptm) cc_final: 0.6237 (ptp) REVERT: IW 8 PHE cc_start: 0.8552 (t80) cc_final: 0.8311 (t80) REVERT: IX 1 MET cc_start: 0.7883 (tmm) cc_final: 0.6569 (tmm) REVERT: I0 1 MET cc_start: 0.6950 (ppp) cc_final: 0.6545 (pmm) REVERT: I0 9 LYS cc_start: 0.9655 (mtpt) cc_final: 0.9083 (mmmm) REVERT: I1 1 MET cc_start: 0.8072 (tmm) cc_final: 0.7486 (tmm) REVERT: I2 6 LYS cc_start: 0.9317 (pttm) cc_final: 0.9064 (mtmm) REVERT: I3 12 LYS cc_start: 0.8393 (mptt) cc_final: 0.7578 (tppt) REVERT: I4 1 MET cc_start: 0.6998 (ppp) cc_final: 0.6153 (ppp) REVERT: I7 6 LYS cc_start: 0.9239 (ttpt) cc_final: 0.8745 (mttt) REVERT: I7 13 ASP cc_start: 0.8354 (m-30) cc_final: 0.7941 (m-30) REVERT: I9 1 MET cc_start: 0.7691 (tmm) cc_final: 0.7061 (tmm) REVERT: I9 9 LYS cc_start: 0.8863 (tmtt) cc_final: 0.8608 (mmtp) REVERT: JA 1 MET cc_start: 0.7680 (ptm) cc_final: 0.6679 (ptp) REVERT: JE 6 LYS cc_start: 0.9395 (mmmt) cc_final: 0.9161 (mmmm) REVERT: JH 1 MET cc_start: 0.8361 (tmm) cc_final: 0.7458 (tmm) REVERT: JH 14 LEU cc_start: 0.9189 (tp) cc_final: 0.8960 (tp) REVERT: JI 1 MET cc_start: 0.7968 (ptm) cc_final: 0.6835 (pmm) REVERT: JK 1 MET cc_start: 0.6867 (ppp) cc_final: 0.6212 (ppp) REVERT: JL 1 MET cc_start: 0.8025 (tmm) cc_final: 0.6795 (tmm) REVERT: JM 1 MET cc_start: 0.7978 (ptm) cc_final: 0.7433 (ptt) REVERT: JO 1 MET cc_start: 0.6831 (ppp) cc_final: 0.6154 (ppp) REVERT: JP 1 MET cc_start: 0.7683 (tmm) cc_final: 0.6364 (tmm) REVERT: JQ 17 LYS cc_start: 0.8286 (mtmt) cc_final: 0.8075 (mtmt) REVERT: JS 1 MET cc_start: 0.6763 (ppp) cc_final: 0.5965 (ppp) REVERT: JS 10 PHE cc_start: 0.8830 (t80) cc_final: 0.8350 (t80) REVERT: JT 1 MET cc_start: 0.7765 (tmm) cc_final: 0.7140 (tmm) REVERT: JU 18 PHE cc_start: 0.8587 (t80) cc_final: 0.8370 (t80) REVERT: JW 1 MET cc_start: 0.7127 (ppp) cc_final: 0.6688 (ppp) REVERT: JX 1 MET cc_start: 0.8356 (tmm) cc_final: 0.7369 (tmm) REVERT: JY 12 LYS cc_start: 0.9251 (tttm) cc_final: 0.8971 (pttm) REVERT: J0 1 MET cc_start: 0.6551 (ppp) cc_final: 0.5932 (ppp) REVERT: J0 8 PHE cc_start: 0.8248 (t80) cc_final: 0.8022 (t80) REVERT: J2 1 MET cc_start: 0.6871 (ptm) cc_final: 0.6282 (ptt) REVERT: J2 18 PHE cc_start: 0.8582 (t80) cc_final: 0.8280 (t80) REVERT: J5 1 MET cc_start: 0.8329 (tmm) cc_final: 0.7390 (tmm) REVERT: J6 13 ASP cc_start: 0.8668 (m-30) cc_final: 0.8451 (m-30) REVERT: J7 6 LYS cc_start: 0.8917 (tttt) cc_final: 0.8672 (tttt) REVERT: J8 1 MET cc_start: 0.6805 (ppp) cc_final: 0.6316 (ppp) REVERT: J9 1 MET cc_start: 0.8141 (tmm) cc_final: 0.6621 (tmm) REVERT: KC 1 MET cc_start: 0.7216 (ppp) cc_final: 0.6677 (ppp) REVERT: KD 1 MET cc_start: 0.8148 (tmm) cc_final: 0.6963 (tmm) REVERT: KE 1 MET cc_start: 0.6964 (ptm) cc_final: 0.6292 (ptp) REVERT: KH 1 MET cc_start: 0.7721 (tmm) cc_final: 0.6319 (tmm) REVERT: KI 6 LYS cc_start: 0.8968 (ptpp) cc_final: 0.8650 (mtmm) REVERT: KK 1 MET cc_start: 0.7510 (ppp) cc_final: 0.6886 (ppp) REVERT: KO 1 MET cc_start: 0.7047 (ppp) cc_final: 0.6094 (ppp) REVERT: KO 8 PHE cc_start: 0.8266 (t80) cc_final: 0.7611 (t80) REVERT: KP 1 MET cc_start: 0.8095 (tmm) cc_final: 0.7015 (tmm) REVERT: KQ 12 LYS cc_start: 0.9310 (tttm) cc_final: 0.8920 (tptp) REVERT: KU 11 PHE cc_start: 0.8004 (m-80) cc_final: 0.7731 (m-80) REVERT: KV 6 LYS cc_start: 0.8754 (ttpt) cc_final: 0.8398 (ttpt) REVERT: KW 1 MET cc_start: 0.6700 (ppp) cc_final: 0.5888 (ppp) REVERT: KY 13 ASP cc_start: 0.9122 (m-30) cc_final: 0.8879 (m-30) REVERT: K0 1 MET cc_start: 0.6987 (ptp) cc_final: 0.6692 (ptt) REVERT: K1 1 MET cc_start: 0.7923 (tmm) cc_final: 0.6871 (ttp) REVERT: K1 9 LYS cc_start: 0.9423 (tmtt) cc_final: 0.9013 (tptm) REVERT: K4 1 MET cc_start: 0.6327 (ppp) cc_final: 0.5732 (ppp) REVERT: K5 1 MET cc_start: 0.7776 (tmm) cc_final: 0.6886 (tmm) REVERT: K9 1 MET cc_start: 0.8247 (tmm) cc_final: 0.7519 (tmm) REVERT: LA 1 MET cc_start: 0.7142 (ptm) cc_final: 0.6093 (ptp) REVERT: LC 1 MET cc_start: 0.5097 (ptp) cc_final: 0.4741 (ptt) REVERT: LD 1 MET cc_start: 0.7772 (tmm) cc_final: 0.7142 (tmm) REVERT: LE 1 MET cc_start: 0.5818 (ptm) cc_final: 0.4893 (ptp) REVERT: LG 1 MET cc_start: 0.5799 (ppp) cc_final: 0.4747 (ppp) REVERT: LH 1 MET cc_start: 0.8215 (tmm) cc_final: 0.7329 (tmm) REVERT: LK 2 GLU cc_start: 0.8238 (tm-30) cc_final: 0.7641 (mp0) REVERT: LL 1 MET cc_start: 0.7945 (tmm) cc_final: 0.7648 (tmm) REVERT: LL 9 LYS cc_start: 0.9488 (tmtt) cc_final: 0.9260 (tptp) REVERT: LM 1 MET cc_start: 0.7560 (ptm) cc_final: 0.6695 (ptp) REVERT: LM 17 LYS cc_start: 0.8935 (tttm) cc_final: 0.8725 (tttm) REVERT: LP 1 MET cc_start: 0.6459 (tmm) cc_final: 0.6073 (tmm) REVERT: LP 4 VAL cc_start: 0.8749 (t) cc_final: 0.8463 (t) REVERT: LQ 1 MET cc_start: 0.6082 (ptm) cc_final: 0.5475 (ptp) REVERT: LR 17 LYS cc_start: 0.8555 (mtpp) cc_final: 0.8146 (mmtm) REVERT: LT 9 LYS cc_start: 0.9252 (tmtt) cc_final: 0.8973 (tptp) REVERT: LU 1 MET cc_start: 0.5088 (ptm) cc_final: 0.4626 (ptp) REVERT: LX 1 MET cc_start: 0.7696 (tmm) cc_final: 0.6895 (tmm) REVERT: LY 1 MET cc_start: 0.7122 (ptm) cc_final: 0.6417 (ptp) REVERT: LY 17 LYS cc_start: 0.8843 (ttmm) cc_final: 0.8401 (tmtt) REVERT: L1 1 MET cc_start: 0.7805 (tmm) cc_final: 0.6934 (tmm) REVERT: L1 10 PHE cc_start: 0.8572 (t80) cc_final: 0.8233 (t80) REVERT: L2 11 PHE cc_start: 0.7828 (m-10) cc_final: 0.7599 (m-80) REVERT: L4 1 MET cc_start: 0.7428 (ppp) cc_final: 0.6642 (ppp) REVERT: L5 1 MET cc_start: 0.7106 (tmm) cc_final: 0.6152 (tmm) REVERT: L6 1 MET cc_start: 0.7035 (ptm) cc_final: 0.6777 (ptp) REVERT: L6 11 PHE cc_start: 0.7769 (m-80) cc_final: 0.6812 (m-80) REVERT: L6 12 LYS cc_start: 0.9430 (pptt) cc_final: 0.9101 (pptt) REVERT: L9 1 MET cc_start: 0.7991 (tmm) cc_final: 0.6685 (tmm) REVERT: MA 12 LYS cc_start: 0.8993 (pttp) cc_final: 0.8778 (pttm) REVERT: MC 9 LYS cc_start: 0.9610 (mtpt) cc_final: 0.9234 (mmmt) REVERT: MG 1 MET cc_start: 0.7171 (ppp) cc_final: 0.6248 (ppp) REVERT: MH 1 MET cc_start: 0.7229 (tmm) cc_final: 0.6191 (tmm) REVERT: MJ 9 LYS cc_start: 0.8717 (tptp) cc_final: 0.8403 (tppt) REVERT: MJ 13 ASP cc_start: 0.8474 (m-30) cc_final: 0.7765 (m-30) REVERT: ML 1 MET cc_start: 0.7744 (tmm) cc_final: 0.7239 (tmm) REVERT: MM 1 MET cc_start: 0.7715 (ptm) cc_final: 0.7108 (ptp) REVERT: MM 12 LYS cc_start: 0.9235 (pttm) cc_final: 0.8851 (pttp) REVERT: MP 9 LYS cc_start: 0.9185 (tmtt) cc_final: 0.8973 (tptt) REVERT: MQ 1 MET cc_start: 0.7472 (ptm) cc_final: 0.6994 (ptt) REVERT: MT 1 MET cc_start: 0.8354 (tmm) cc_final: 0.7396 (tmm) REVERT: MU 17 LYS cc_start: 0.9021 (ttmt) cc_final: 0.8726 (ttpt) REVERT: MV 13 ASP cc_start: 0.8118 (m-30) cc_final: 0.7766 (m-30) REVERT: MV 17 LYS cc_start: 0.9004 (mtpp) cc_final: 0.8745 (mmtm) REVERT: MW 1 MET cc_start: 0.6892 (ppp) cc_final: 0.6463 (ppp) REVERT: M0 1 MET cc_start: 0.6955 (ppp) cc_final: 0.5946 (ppp) REVERT: M1 9 LYS cc_start: 0.9447 (tmtt) cc_final: 0.9162 (tptp) REVERT: M2 18 PHE cc_start: 0.8344 (t80) cc_final: 0.8053 (t80) REVERT: M4 1 MET cc_start: 0.6319 (ppp) cc_final: 0.5911 (ppp) REVERT: M5 1 MET cc_start: 0.7709 (tmm) cc_final: 0.6879 (tmm) REVERT: M6 13 ASP cc_start: 0.8844 (m-30) cc_final: 0.8604 (m-30) REVERT: M8 1 MET cc_start: 0.7169 (ppp) cc_final: 0.6684 (ppp) REVERT: M9 1 MET cc_start: 0.8688 (tmm) cc_final: 0.7811 (tmm) REVERT: NB 1 MET cc_start: 0.8395 (tmm) cc_final: 0.8000 (tmm) REVERT: NE 12 LYS cc_start: 0.9278 (tttm) cc_final: 0.9065 (ttmt) REVERT: NF 2 GLU cc_start: 0.8318 (tp30) cc_final: 0.8017 (tp30) REVERT: NG 1 MET cc_start: 0.7128 (ppp) cc_final: 0.5822 (ppp) REVERT: NH 1 MET cc_start: 0.8403 (tmm) cc_final: 0.7623 (tmm) REVERT: NI 1 MET cc_start: 0.8196 (ptm) cc_final: 0.7106 (ptp) REVERT: NL 1 MET cc_start: 0.8248 (tmm) cc_final: 0.7047 (tmm) REVERT: NM 1 MET cc_start: 0.4819 (ptm) cc_final: 0.4160 (pmm) REVERT: NO 1 MET cc_start: 0.7154 (ppp) cc_final: 0.6438 (ppp) REVERT: NP 1 MET cc_start: 0.8318 (tmm) cc_final: 0.7513 (tmm) REVERT: NT 1 MET cc_start: 0.8114 (tmm) cc_final: 0.7813 (tmm) REVERT: NU 1 MET cc_start: 0.6704 (ptm) cc_final: 0.6183 (ptt) REVERT: NY 1 MET cc_start: 0.7113 (ptm) cc_final: 0.6859 (ptm) REVERT: NY 6 LYS cc_start: 0.9266 (mtmm) cc_final: 0.9049 (mtmm) REVERT: N0 1 MET cc_start: 0.7373 (ppp) cc_final: 0.6530 (ppp) REVERT: N1 10 PHE cc_start: 0.8963 (t80) cc_final: 0.8690 (t80) REVERT: N2 11 PHE cc_start: 0.7650 (m-10) cc_final: 0.7337 (m-10) REVERT: N2 12 LYS cc_start: 0.9250 (tttm) cc_final: 0.8831 (tptp) REVERT: N5 1 MET cc_start: 0.7842 (tmm) cc_final: 0.6762 (tmm) REVERT: N6 13 ASP cc_start: 0.8870 (m-30) cc_final: 0.8654 (m-30) REVERT: N9 1 MET cc_start: 0.8327 (tmm) cc_final: 0.7043 (tmm) REVERT: OA 1 MET cc_start: 0.6467 (ptm) cc_final: 0.5126 (pmm) REVERT: OA 12 LYS cc_start: 0.9462 (pttp) cc_final: 0.9161 (pptt) REVERT: OA 13 ASP cc_start: 0.9072 (m-30) cc_final: 0.8438 (m-30) REVERT: OB 6 LYS cc_start: 0.9193 (tttt) cc_final: 0.8990 (tttt) REVERT: OC 8 PHE cc_start: 0.8194 (t80) cc_final: 0.7424 (t80) REVERT: OD 1 MET cc_start: 0.8216 (tmm) cc_final: 0.6854 (tmm) REVERT: OE 6 LYS cc_start: 0.9313 (mtpp) cc_final: 0.8860 (ttmm) REVERT: OG 1 MET cc_start: 0.6659 (ppp) cc_final: 0.6019 (ppp) REVERT: OH 1 MET cc_start: 0.8465 (tmm) cc_final: 0.7208 (tmm) REVERT: OI 12 LYS cc_start: 0.8986 (pptt) cc_final: 0.8702 (pptt) REVERT: OK 1 MET cc_start: 0.7301 (ppp) cc_final: 0.6551 (ppp) REVERT: OM 1 MET cc_start: 0.7408 (ptm) cc_final: 0.5905 (pmm) REVERT: OM 13 ASP cc_start: 0.9147 (m-30) cc_final: 0.8915 (m-30) REVERT: OP 1 MET cc_start: 0.7969 (tmm) cc_final: 0.7431 (tmm) REVERT: OQ 1 MET cc_start: 0.6249 (ptm) cc_final: 0.5723 (ptp) REVERT: OT 1 MET cc_start: 0.8212 (tmm) cc_final: 0.7848 (tmm) REVERT: OW 1 MET cc_start: 0.6255 (ppp) cc_final: 0.5652 (ppp) REVERT: OX 1 MET cc_start: 0.7730 (tmm) cc_final: 0.7250 (tmm) REVERT: OY 1 MET cc_start: 0.7435 (ptm) cc_final: 0.6612 (ptp) REVERT: O1 1 MET cc_start: 0.6545 (tmm) cc_final: 0.6231 (tmm) REVERT: O2 1 MET cc_start: 0.6508 (ptt) cc_final: 0.4741 (pmm) REVERT: O3 17 LYS cc_start: 0.8642 (mtpp) cc_final: 0.8327 (mmtm) REVERT: O6 1 MET cc_start: 0.6592 (ptm) cc_final: 0.5860 (ptp) REVERT: O8 1 MET cc_start: 0.7282 (ppp) cc_final: 0.6533 (ppp) REVERT: O9 1 MET cc_start: 0.7788 (tmm) cc_final: 0.6916 (tmm) REVERT: PA 1 MET cc_start: 0.7177 (ptm) cc_final: 0.6211 (ptp) REVERT: PA 9 LYS cc_start: 0.7448 (tptp) cc_final: 0.6595 (tptp) REVERT: PA 13 ASP cc_start: 0.8594 (m-30) cc_final: 0.8062 (m-30) REVERT: PB 14 LEU cc_start: 0.7635 (tt) cc_final: 0.7434 (tp) REVERT: PD 1 MET cc_start: 0.7918 (tmm) cc_final: 0.7296 (tmm) REVERT: PE 11 PHE cc_start: 0.7847 (m-80) cc_final: 0.7312 (m-80) REVERT: PG 1 MET cc_start: 0.7635 (ppp) cc_final: 0.6868 (ppp) REVERT: PH 1 MET cc_start: 0.7219 (tmm) cc_final: 0.6398 (tmm) REVERT: PI 11 PHE cc_start: 0.7992 (m-80) cc_final: 0.7191 (m-80) REVERT: PK 12 LYS cc_start: 0.8796 (tptp) cc_final: 0.8513 (tptt) REVERT: PL 1 MET cc_start: 0.7970 (tmm) cc_final: 0.7025 (tmm) REVERT: PO 1 MET cc_start: 0.7136 (ppp) cc_final: 0.6055 (ppp) REVERT: PO 9 LYS cc_start: 0.9591 (mtpt) cc_final: 0.9115 (mmmm) REVERT: PP 1 MET cc_start: 0.7518 (tmm) cc_final: 0.6264 (tmm) REVERT: PQ 1 MET cc_start: 0.7142 (ptm) cc_final: 0.6131 (pmm) REVERT: PR 17 LYS cc_start: 0.8690 (mmmm) cc_final: 0.8460 (mmtm) REVERT: PS 1 MET cc_start: 0.7482 (ppp) cc_final: 0.6779 (ppp) REVERT: PT 1 MET cc_start: 0.7284 (tmm) cc_final: 0.6043 (tmm) REVERT: PV 6 LYS cc_start: 0.8831 (mttt) cc_final: 0.8597 (mtmt) REVERT: PX 1 MET cc_start: 0.8048 (tmm) cc_final: 0.7240 (tmm) REVERT: PY 1 MET cc_start: 0.7459 (ptm) cc_final: 0.6665 (ptp) REVERT: PY 12 LYS cc_start: 0.9325 (pttm) cc_final: 0.9077 (pttp) REVERT: PZ 14 LEU cc_start: 0.7962 (tt) cc_final: 0.7600 (tt) REVERT: P1 1 MET cc_start: 0.7679 (tmm) cc_final: 0.7138 (tmm) REVERT: P2 1 MET cc_start: 0.7683 (ptm) cc_final: 0.7158 (ptp) REVERT: P2 12 LYS cc_start: 0.9333 (pttt) cc_final: 0.9094 (pttt) REVERT: P5 1 MET cc_start: 0.8449 (tmm) cc_final: 0.7182 (tmm) REVERT: P6 1 MET cc_start: 0.7820 (ptm) cc_final: 0.6905 (pmm) REVERT: P8 1 MET cc_start: 0.7201 (ppp) cc_final: 0.6508 (ppp) REVERT: QA 13 ASP cc_start: 0.9049 (m-30) cc_final: 0.8721 (m-30) REVERT: QD 1 MET cc_start: 0.7509 (tmm) cc_final: 0.6344 (tmm) REVERT: QH 1 MET cc_start: 0.7579 (tmm) cc_final: 0.6973 (tmm) REVERT: QI 13 ASP cc_start: 0.9101 (m-30) cc_final: 0.8772 (m-30) REVERT: QJ 12 LYS cc_start: 0.9206 (tmtt) cc_final: 0.8803 (tppt) REVERT: QL 9 LYS cc_start: 0.8980 (tmtt) cc_final: 0.8719 (tmtt) REVERT: QM 12 LYS cc_start: 0.9279 (tmtt) cc_final: 0.8932 (pttm) REVERT: QN 1 MET cc_start: 0.8029 (tmm) cc_final: 0.7671 (tmm) REVERT: QO 1 MET cc_start: 0.6775 (ppp) cc_final: 0.6183 (ppp) REVERT: QP 1 MET cc_start: 0.7782 (ttp) cc_final: 0.7104 (tmm) REVERT: QT 1 MET cc_start: 0.8515 (tmm) cc_final: 0.7673 (tmm) REVERT: QU 1 MET cc_start: 0.8260 (ptm) cc_final: 0.7407 (ptp) REVERT: QW 1 MET cc_start: 0.6427 (ppp) cc_final: 0.5724 (ppp) REVERT: QX 1 MET cc_start: 0.8309 (tmm) cc_final: 0.6534 (tmm) REVERT: QY 18 PHE cc_start: 0.8543 (t80) cc_final: 0.8288 (t80) REVERT: Q1 1 MET cc_start: 0.8383 (tmm) cc_final: 0.7344 (tmm) REVERT: Q2 1 MET cc_start: 0.6503 (ptm) cc_final: 0.5949 (ptp) REVERT: Q5 1 MET cc_start: 0.8076 (tmm) cc_final: 0.6770 (tmm) REVERT: Q8 1 MET cc_start: 0.7206 (ppp) cc_final: 0.6506 (ppp) REVERT: Q9 9 LYS cc_start: 0.9162 (tppp) cc_final: 0.8794 (tptp) REVERT: RB 1 MET cc_start: 0.6583 (pmm) cc_final: 0.6311 (pmm) REVERT: RD 1 MET cc_start: 0.7921 (tmm) cc_final: 0.6440 (tmm) REVERT: RE 12 LYS cc_start: 0.9225 (tttm) cc_final: 0.8863 (tptp) REVERT: RF 11 PHE cc_start: 0.8073 (m-80) cc_final: 0.7847 (m-10) REVERT: RG 1 MET cc_start: 0.7773 (ppp) cc_final: 0.7572 (ppp) REVERT: RH 1 MET cc_start: 0.7796 (tmm) cc_final: 0.6693 (tmm) REVERT: RH 9 LYS cc_start: 0.9326 (tmtt) cc_final: 0.8862 (tptp) REVERT: RL 1 MET cc_start: 0.8330 (tmm) cc_final: 0.7222 (tmm) REVERT: RM 1 MET cc_start: 0.6538 (ptm) cc_final: 0.5665 (pmm) REVERT: RM 9 LYS cc_start: 0.9049 (ttmm) cc_final: 0.8757 (mtmm) REVERT: RM 13 ASP cc_start: 0.8815 (m-30) cc_final: 0.8586 (m-30) REVERT: RN 12 LYS cc_start: 0.8716 (mmtt) cc_final: 0.7922 (tppt) REVERT: RP 1 MET cc_start: 0.8368 (tmm) cc_final: 0.7494 (tmm) REVERT: RP 9 LYS cc_start: 0.9356 (tmtt) cc_final: 0.9018 (tptp) REVERT: RS 1 MET cc_start: 0.6188 (ppp) cc_final: 0.5344 (ppp) REVERT: RT 1 MET cc_start: 0.7930 (tmm) cc_final: 0.6887 (tmm) REVERT: RT 10 PHE cc_start: 0.8824 (t80) cc_final: 0.8566 (t80) REVERT: RU 17 LYS cc_start: 0.8792 (ttpp) cc_final: 0.8554 (ttpt) REVERT: RV 12 LYS cc_start: 0.9009 (tmmt) cc_final: 0.8771 (ttpp) REVERT: RW 1 MET cc_start: 0.7109 (ppp) cc_final: 0.6271 (ppp) REVERT: RW 8 PHE cc_start: 0.8202 (t80) cc_final: 0.7952 (t80) REVERT: RX 1 MET cc_start: 0.8237 (ttp) cc_final: 0.7176 (tmm) REVERT: RY 1 MET cc_start: 0.6643 (ptm) cc_final: 0.5167 (pmm) REVERT: RZ 6 LYS cc_start: 0.9255 (tmmt) cc_final: 0.9016 (ttpp) REVERT: R1 1 MET cc_start: 0.7387 (tmm) cc_final: 0.6834 (tmm) REVERT: R2 1 MET cc_start: 0.5572 (ptm) cc_final: 0.4745 (ptp) REVERT: R5 1 MET cc_start: 0.8183 (tmm) cc_final: 0.7285 (tmm) REVERT: R6 12 LYS cc_start: 0.9213 (tptt) cc_final: 0.8942 (pttp) REVERT: R8 1 MET cc_start: 0.6476 (ppp) cc_final: 0.6080 (ppp) REVERT: R8 8 PHE cc_start: 0.8734 (t80) cc_final: 0.8514 (t80) REVERT: R9 1 MET cc_start: 0.7954 (tmm) cc_final: 0.6832 (tmm) REVERT: R9 9 LYS cc_start: 0.9464 (tmtt) cc_final: 0.9148 (tptp) REVERT: SA 1 MET cc_start: 0.7870 (ptm) cc_final: 0.7011 (ptp) REVERT: SB 6 LYS cc_start: 0.9095 (tttt) cc_final: 0.8744 (tttt) REVERT: SD 1 MET cc_start: 0.6772 (tmm) cc_final: 0.6338 (tmm) REVERT: SD 4 VAL cc_start: 0.8874 (t) cc_final: 0.8666 (t) REVERT: SE 1 MET cc_start: 0.6325 (ptm) cc_final: 0.5467 (ptp) REVERT: SH 10 PHE cc_start: 0.8537 (t80) cc_final: 0.8249 (t80) REVERT: SI 1 MET cc_start: 0.5791 (ptm) cc_final: 0.3650 (pmm) REVERT: SL 1 MET cc_start: 0.7671 (tmm) cc_final: 0.6813 (tmm) REVERT: SM 1 MET cc_start: 0.7155 (ptm) cc_final: 0.6703 (ptt) REVERT: SM 9 LYS cc_start: 0.7645 (tptp) cc_final: 0.6265 (tptp) REVERT: SM 17 LYS cc_start: 0.8844 (ttmm) cc_final: 0.8532 (tmtt) REVERT: SO 1 MET cc_start: 0.7559 (ppp) cc_final: 0.6594 (ppp) REVERT: SP 1 MET cc_start: 0.8191 (tmm) cc_final: 0.7043 (tmm) REVERT: SQ 13 ASP cc_start: 0.9105 (m-30) cc_final: 0.8897 (m-30) REVERT: SS 1 MET cc_start: 0.7864 (ppp) cc_final: 0.7194 (ppp) REVERT: ST 1 MET cc_start: 0.7475 (tmm) cc_final: 0.6508 (tmm) REVERT: SU 1 MET cc_start: 0.7434 (ptm) cc_final: 0.7036 (ptp) REVERT: SX 1 MET cc_start: 0.8163 (tmm) cc_final: 0.7060 (tmm) REVERT: S1 1 MET cc_start: 0.8125 (tmm) cc_final: 0.7877 (tmm) REVERT: S2 1 MET cc_start: 0.6990 (ptm) cc_final: 0.5925 (pmm) REVERT: S2 12 LYS cc_start: 0.9468 (pptt) cc_final: 0.9095 (pptt) REVERT: S3 12 LYS cc_start: 0.8966 (ptmm) cc_final: 0.8760 (ttpp) REVERT: S7 17 LYS cc_start: 0.8038 (pptt) cc_final: 0.7647 (mmtm) REVERT: S9 1 MET cc_start: 0.7720 (tmm) cc_final: 0.6658 (tmm) REVERT: TA 1 MET cc_start: 0.7229 (ptm) cc_final: 0.5761 (pmm) REVERT: TA 12 LYS cc_start: 0.9142 (pttp) cc_final: 0.8940 (pttp) REVERT: TC 1 MET cc_start: 0.7015 (ppp) cc_final: 0.6628 (ppp) REVERT: TD 9 LYS cc_start: 0.9315 (tttm) cc_final: 0.9076 (tttm) REVERT: TG 1 MET cc_start: 0.7895 (ppp) cc_final: 0.7643 (ppp) REVERT: TH 1 MET cc_start: 0.8489 (tmm) cc_final: 0.7271 (tmm) REVERT: TI 1 MET cc_start: 0.7815 (ptm) cc_final: 0.6891 (pmm) REVERT: TK 1 MET cc_start: 0.6533 (ppp) cc_final: 0.5660 (ppp) REVERT: TM 13 ASP cc_start: 0.9160 (m-30) cc_final: 0.8895 (m-30) REVERT: TP 9 LYS cc_start: 0.9316 (tmtt) cc_final: 0.9052 (tptp) REVERT: TQ 17 LYS cc_start: 0.8874 (mtpt) cc_final: 0.8566 (mtpt) REVERT: TR 17 LYS cc_start: 0.8548 (ptmm) cc_final: 0.7976 (pttp) REVERT: TS 1 MET cc_start: 0.6600 (ppp) cc_final: 0.5285 (ppp) REVERT: TT 1 MET cc_start: 0.7855 (tmm) cc_final: 0.7583 (tmm) REVERT: TX 1 MET cc_start: 0.8241 (tmm) cc_final: 0.7055 (tmm) REVERT: TY 13 ASP cc_start: 0.8974 (m-30) cc_final: 0.8736 (m-30) REVERT: T0 1 MET cc_start: 0.6754 (ppp) cc_final: 0.5591 (ppp) REVERT: T0 8 PHE cc_start: 0.8054 (t80) cc_final: 0.7398 (t80) REVERT: T5 1 MET cc_start: 0.8561 (tmm) cc_final: 0.7676 (tmm) REVERT: T5 9 LYS cc_start: 0.9458 (tptt) cc_final: 0.9249 (tptp) REVERT: T6 1 MET cc_start: 0.7848 (ptm) cc_final: 0.6424 (ptp) REVERT: T9 1 MET cc_start: 0.8154 (tmm) cc_final: 0.6259 (tmm) REVERT: UA 1 MET cc_start: 0.5701 (ptm) cc_final: 0.5028 (ptm) REVERT: UB 2 GLU cc_start: 0.7576 (tp30) cc_final: 0.7329 (tp30) REVERT: UC 1 MET cc_start: 0.7284 (ppp) cc_final: 0.6653 (ppp) REVERT: UD 1 MET cc_start: 0.8649 (tmm) cc_final: 0.7853 (tmm) REVERT: UE 1 MET cc_start: 0.7109 (ptm) cc_final: 0.6330 (ptp) REVERT: UG 1 MET cc_start: 0.7272 (ppp) cc_final: 0.7008 (ppp) REVERT: UK 1 MET cc_start: 0.7429 (ppp) cc_final: 0.6770 (ppp) REVERT: UL 1 MET cc_start: 0.8095 (ttp) cc_final: 0.7215 (tmm) REVERT: UM 1 MET cc_start: 0.6504 (ptp) cc_final: 0.6121 (ptp) REVERT: UO 1 MET cc_start: 0.6957 (ppp) cc_final: 0.6424 (ppp) REVERT: UQ 11 PHE cc_start: 0.7942 (m-10) cc_final: 0.7686 (m-80) REVERT: UQ 12 LYS cc_start: 0.9258 (tttm) cc_final: 0.9032 (tptp) REVERT: UQ 13 ASP cc_start: 0.8863 (t0) cc_final: 0.8634 (t0) REVERT: US 1 MET cc_start: 0.7602 (ppp) cc_final: 0.7371 (ppp) REVERT: UT 1 MET cc_start: 0.7792 (tmm) cc_final: 0.6653 (tmm) REVERT: UU 9 LYS cc_start: 0.9014 (tppt) cc_final: 0.8786 (tppt) REVERT: UW 1 MET cc_start: 0.6868 (ppp) cc_final: 0.6611 (ppp) REVERT: UX 1 MET cc_start: 0.8233 (tmm) cc_final: 0.7091 (tmm) REVERT: UY 1 MET cc_start: 0.5834 (ptp) cc_final: 0.5296 (pmm) REVERT: UY 9 LYS cc_start: 0.9114 (ttmm) cc_final: 0.8560 (mtmm) REVERT: UY 12 LYS cc_start: 0.9456 (pttp) cc_final: 0.9096 (pttm) REVERT: UY 13 ASP cc_start: 0.9062 (m-30) cc_final: 0.8512 (m-30) REVERT: U0 8 PHE cc_start: 0.8403 (t80) cc_final: 0.7867 (t80) REVERT: U1 1 MET cc_start: 0.8207 (tmm) cc_final: 0.6711 (tmm) REVERT: U2 13 ASP cc_start: 0.9065 (m-30) cc_final: 0.8758 (m-30) REVERT: U4 1 MET cc_start: 0.6546 (ppp) cc_final: 0.5637 (ppp) REVERT: U7 9 LYS cc_start: 0.9438 (tppt) cc_final: 0.8617 (tppt) REVERT: U9 1 MET cc_start: 0.8509 (tmm) cc_final: 0.7214 (tmm) REVERT: U9 9 LYS cc_start: 0.9267 (tptm) cc_final: 0.9000 (tppp) REVERT: VA 1 MET cc_start: 0.6617 (ptm) cc_final: 0.6089 (ptm) REVERT: VC 1 MET cc_start: 0.4989 (ptp) cc_final: 0.4770 (ptt) REVERT: VC 9 LYS cc_start: 0.9229 (mmmt) cc_final: 0.8992 (mmmt) REVERT: VD 1 MET cc_start: 0.7902 (tmm) cc_final: 0.7111 (tmm) REVERT: VE 1 MET cc_start: 0.5801 (ptm) cc_final: 0.4682 (ptp) REVERT: VE 18 PHE cc_start: 0.8602 (t80) cc_final: 0.8344 (t80) REVERT: VG 1 MET cc_start: 0.6208 (ppp) cc_final: 0.5119 (ppp) REVERT: VH 1 MET cc_start: 0.8249 (tmm) cc_final: 0.6954 (tmm) REVERT: VK 1 MET cc_start: 0.6535 (ppp) cc_final: 0.6269 (ppp) REVERT: VK 2 GLU cc_start: 0.8727 (tm-30) cc_final: 0.7885 (mp0) REVERT: VL 9 LYS cc_start: 0.9441 (tmtt) cc_final: 0.9141 (tptp) REVERT: VM 17 LYS cc_start: 0.8916 (ttpt) cc_final: 0.8269 (mmmt) REVERT: VN 6 LYS cc_start: 0.9111 (tttt) cc_final: 0.8784 (ttmt) REVERT: VQ 1 MET cc_start: 0.5913 (ptm) cc_final: 0.5523 (ptp) REVERT: VR 17 LYS cc_start: 0.8572 (mtpp) cc_final: 0.8223 (mmtm) outliers start: 0 outliers final: 0 residues processed: 4836 average time/residue: 1.3405 time to fit residues: 11111.1733 Evaluate side-chains 3776 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3776 time to evaluate : 13.255 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1352 optimal weight: 5.9990 chunk 921 optimal weight: 4.9990 chunk 23 optimal weight: 6.9990 chunk 1209 optimal weight: 8.9990 chunk 670 optimal weight: 2.9990 chunk 1385 optimal weight: 7.9990 chunk 1122 optimal weight: 10.0000 chunk 1 optimal weight: 5.9990 chunk 829 optimal weight: 0.8980 chunk 1457 optimal weight: 6.9990 chunk 409 optimal weight: 9.9990 overall best weight: 4.1788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** b 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 21 ASN BE 21 ASN BZ 21 ASN CT 21 ASN ** F5 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F7 21 ASN HZ 21 ASN H2 21 ASN TH 21 ASN Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8113 moved from start: 0.5804 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.038 151200 Z= 0.279 Angle : 0.575 10.042 198240 Z= 0.289 Chirality : 0.029 0.176 20160 Planarity : 0.003 0.023 23520 Dihedral : 4.502 20.012 16800 Min Nonbonded Distance : 2.211 Molprobity Statistics. All-atom Clashscore : 17.72 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.43 % Favored : 99.57 % Rotamer: Outliers : 0.00 % Allowed : 4.11 % Favored : 95.89 % 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: 1.46 (0.06), residues: 15960 helix: 1.69 (0.04), residues: 13042 sheet: None (None), residues: 0 loop : -2.44 (0.09), residues: 2918 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.036 0.002 PHEE2 11 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4683 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4683 time to evaluate : 13.623 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: C 9 LYS cc_start: 0.8606 (tppt) cc_final: 0.8223 (tppt) REVERT: C 12 LYS cc_start: 0.9279 (tttm) cc_final: 0.9029 (tmtt) REVERT: E 1 MET cc_start: 0.7387 (ppp) cc_final: 0.6454 (ppp) REVERT: F 1 MET cc_start: 0.7580 (tmm) cc_final: 0.6790 (tmm) REVERT: G 1 MET cc_start: 0.7008 (ptm) cc_final: 0.6281 (ptt) REVERT: G 17 LYS cc_start: 0.8924 (ttmm) cc_final: 0.8357 (tmtt) REVERT: I 2 GLU cc_start: 0.9152 (tm-30) cc_final: 0.8856 (tp30) REVERT: J 1 MET cc_start: 0.7808 (tmm) cc_final: 0.7122 (tmm) REVERT: L 1 MET cc_start: 0.8193 (ppp) cc_final: 0.7965 (ppp) REVERT: L 17 LYS cc_start: 0.8991 (mtpp) cc_final: 0.8610 (mmtm) REVERT: M 1 MET cc_start: 0.7750 (ppp) cc_final: 0.6896 (ppp) REVERT: M 9 LYS cc_start: 0.9561 (mtpp) cc_final: 0.9345 (mmmm) REVERT: N 1 MET cc_start: 0.7698 (tmm) cc_final: 0.7203 (tmm) REVERT: O 1 MET cc_start: 0.7347 (ptm) cc_final: 0.7067 (ptp) REVERT: Q 1 MET cc_start: 0.6663 (ppp) cc_final: 0.6334 (ppp) REVERT: R 1 MET cc_start: 0.8215 (tmm) cc_final: 0.7035 (tmm) REVERT: W 6 LYS cc_start: 0.9274 (ptpp) cc_final: 0.9028 (pttp) REVERT: Z 1 MET cc_start: 0.7111 (tmm) cc_final: 0.6796 (tmm) REVERT: 1 6 LYS cc_start: 0.9190 (ttpt) cc_final: 0.8980 (mttt) REVERT: 1 9 LYS cc_start: 0.8828 (tppt) cc_final: 0.8561 (tppt) REVERT: 1 13 ASP cc_start: 0.8468 (m-30) cc_final: 0.8221 (m-30) REVERT: 2 10 PHE cc_start: 0.8917 (t80) cc_final: 0.8628 (t80) REVERT: 3 1 MET cc_start: 0.8064 (tmm) cc_final: 0.7439 (tmm) REVERT: 4 1 MET cc_start: 0.7569 (ptm) cc_final: 0.6748 (ptp) REVERT: 4 12 LYS cc_start: 0.9276 (pttm) cc_final: 0.8890 (pttm) REVERT: 5 1 MET cc_start: 0.8531 (tmm) cc_final: 0.7533 (tmm) REVERT: 5 13 ASP cc_start: 0.8043 (t0) cc_final: 0.7817 (t0) REVERT: 7 1 MET cc_start: 0.7578 (tmm) cc_final: 0.6890 (tmm) REVERT: 9 12 LYS cc_start: 0.9118 (pttm) cc_final: 0.8803 (ttmm) REVERT: b 9 LYS cc_start: 0.8904 (tmtt) cc_final: 0.8561 (tptp) REVERT: c 12 LYS cc_start: 0.9237 (pttm) cc_final: 0.8958 (pttm) REVERT: c 17 LYS cc_start: 0.8809 (ttpt) cc_final: 0.8496 (ttpt) REVERT: d 13 ASP cc_start: 0.7970 (m-30) cc_final: 0.7615 (m-30) REVERT: e 9 LYS cc_start: 0.9339 (mmmt) cc_final: 0.9135 (mmtm) REVERT: f 1 MET cc_start: 0.8195 (tmm) cc_final: 0.6877 (tmm) REVERT: g 12 LYS cc_start: 0.9478 (tmtt) cc_final: 0.9190 (pttm) REVERT: i 1 MET cc_start: 0.6768 (ppp) cc_final: 0.6310 (ppp) REVERT: j 1 MET cc_start: 0.7864 (tmm) cc_final: 0.6371 (tmm) REVERT: n 1 MET cc_start: 0.7895 (tmm) cc_final: 0.7515 (tmm) REVERT: q 1 MET cc_start: 0.6810 (ppp) cc_final: 0.6347 (ppp) REVERT: r 9 LYS cc_start: 0.9057 (tmtt) cc_final: 0.8832 (tmtt) REVERT: v 1 MET cc_start: 0.8625 (tmm) cc_final: 0.7631 (tmm) REVERT: w 1 MET cc_start: 0.7859 (ptm) cc_final: 0.7104 (ptp) REVERT: y 1 MET cc_start: 0.6965 (ppp) cc_final: 0.6386 (ppp) REVERT: y 8 PHE cc_start: 0.8306 (t80) cc_final: 0.8062 (t80) REVERT: z 1 MET cc_start: 0.8347 (tmm) cc_final: 0.6874 (tmm) REVERT: AA 1 MET cc_start: 0.5148 (ptm) cc_final: 0.4342 (pmm) REVERT: AD 1 MET cc_start: 0.8564 (tmm) cc_final: 0.7621 (tmm) REVERT: AE 1 MET cc_start: 0.6684 (ptm) cc_final: 0.5903 (ptp) REVERT: AE 13 ASP cc_start: 0.8769 (m-30) cc_final: 0.8554 (m-30) REVERT: AG 1 MET cc_start: 0.7230 (ppp) cc_final: 0.6778 (ppp) REVERT: AI 1 MET cc_start: 0.6474 (ptp) cc_final: 0.6184 (ptp) REVERT: AK 1 MET cc_start: 0.7465 (ppp) cc_final: 0.6872 (ppp) REVERT: AL 1 MET cc_start: 0.8207 (tmm) cc_final: 0.7187 (tmm) REVERT: AO 1 MET cc_start: 0.7229 (ppp) cc_final: 0.6335 (ppp) REVERT: AO 8 PHE cc_start: 0.8401 (t80) cc_final: 0.7863 (t80) REVERT: AP 1 MET cc_start: 0.8158 (tmm) cc_final: 0.7031 (tmm) REVERT: AQ 12 LYS cc_start: 0.9217 (tttm) cc_final: 0.8952 (tptp) REVERT: AS 1 MET cc_start: 0.7803 (ppp) cc_final: 0.7550 (ppp) REVERT: AT 1 MET cc_start: 0.7748 (tmm) cc_final: 0.6551 (tmm) REVERT: AU 13 ASP cc_start: 0.8892 (m-30) cc_final: 0.8675 (m-30) REVERT: AW 1 MET cc_start: 0.6880 (ppp) cc_final: 0.6439 (ppp) REVERT: AX 1 MET cc_start: 0.8256 (tmm) cc_final: 0.7093 (tmm) REVERT: AY 1 MET cc_start: 0.6159 (ptm) cc_final: 0.5192 (pmm) REVERT: AY 13 ASP cc_start: 0.8783 (m-30) cc_final: 0.8581 (m-30) REVERT: A1 1 MET cc_start: 0.7936 (tmm) cc_final: 0.6941 (tmm) REVERT: A2 13 ASP cc_start: 0.8975 (m-30) cc_final: 0.8732 (m-30) REVERT: A4 1 MET cc_start: 0.6724 (ppp) cc_final: 0.5733 (ppp) REVERT: A5 1 MET cc_start: 0.8042 (tmm) cc_final: 0.6775 (tmm) REVERT: A6 1 MET cc_start: 0.7595 (ptp) cc_final: 0.7388 (ptp) REVERT: A6 3 PHE cc_start: 0.7711 (t80) cc_final: 0.7359 (t80) REVERT: A8 1 MET cc_start: 0.7239 (ppp) cc_final: 0.6288 (ppp) REVERT: A9 1 MET cc_start: 0.8464 (tmm) cc_final: 0.7989 (tmm) REVERT: BA 1 MET cc_start: 0.6380 (ptm) cc_final: 0.4936 (pmm) REVERT: BB 6 LYS cc_start: 0.9117 (tmmt) cc_final: 0.8825 (ttpp) REVERT: BC 1 MET cc_start: 0.3452 (ptt) cc_final: 0.3083 (ptt) REVERT: BE 1 MET cc_start: 0.5824 (ptm) cc_final: 0.4904 (ptp) REVERT: BG 1 MET cc_start: 0.6430 (ppp) cc_final: 0.5105 (ppp) REVERT: BH 1 MET cc_start: 0.8241 (tmm) cc_final: 0.7439 (tmm) REVERT: BI 12 LYS cc_start: 0.9400 (pptt) cc_final: 0.9180 (pptt) REVERT: BK 2 GLU cc_start: 0.8019 (tm-30) cc_final: 0.7694 (mp0) REVERT: BK 8 PHE cc_start: 0.8874 (t80) cc_final: 0.8142 (t80) REVERT: BL 1 MET cc_start: 0.8046 (tmm) cc_final: 0.6957 (tmm) REVERT: BL 9 LYS cc_start: 0.9467 (tmtt) cc_final: 0.9161 (tptp) REVERT: BN 6 LYS cc_start: 0.9435 (tttt) cc_final: 0.9208 (tttt) REVERT: BP 4 VAL cc_start: 0.8899 (t) cc_final: 0.8572 (t) REVERT: BQ 1 MET cc_start: 0.6284 (ptm) cc_final: 0.5029 (ptp) REVERT: BU 1 MET cc_start: 0.5744 (ptm) cc_final: 0.4851 (ptp) REVERT: BW 1 MET cc_start: 0.7606 (ppp) cc_final: 0.6743 (ppp) REVERT: BX 1 MET cc_start: 0.7428 (tmm) cc_final: 0.6305 (tmm) REVERT: BY 1 MET cc_start: 0.7028 (ptm) cc_final: 0.6506 (ptp) REVERT: BY 17 LYS cc_start: 0.8852 (ttmm) cc_final: 0.8432 (tmtt) REVERT: B1 1 MET cc_start: 0.8176 (tmm) cc_final: 0.7557 (tmm) REVERT: B1 14 LEU cc_start: 0.8538 (mm) cc_final: 0.8197 (tp) REVERT: B4 1 MET cc_start: 0.7616 (ppp) cc_final: 0.6648 (ppp) REVERT: CC 2 GLU cc_start: 0.8528 (tm-30) cc_final: 0.8224 (tp30) REVERT: CD 1 MET cc_start: 0.8058 (tmm) cc_final: 0.6868 (tmm) REVERT: CD 4 VAL cc_start: 0.9265 (t) cc_final: 0.8930 (t) REVERT: CG 1 MET cc_start: 0.7224 (ppp) cc_final: 0.6465 (ppp) REVERT: CM 12 LYS cc_start: 0.9301 (pttp) cc_final: 0.8965 (pttp) REVERT: CM 17 LYS cc_start: 0.9173 (ttpt) cc_final: 0.8961 (ttpt) REVERT: CN 13 ASP cc_start: 0.7979 (t0) cc_final: 0.7727 (t0) REVERT: CP 1 MET cc_start: 0.7836 (tmm) cc_final: 0.7447 (tmm) REVERT: CQ 1 MET cc_start: 0.7338 (ptm) cc_final: 0.6771 (ptp) REVERT: CS 1 MET cc_start: 0.7769 (ppp) cc_final: 0.7108 (ppp) REVERT: CS 9 LYS cc_start: 0.9678 (mtpt) cc_final: 0.9362 (ttmm) REVERT: CT 1 MET cc_start: 0.8395 (tmm) cc_final: 0.7771 (tmm) REVERT: CX 1 MET cc_start: 0.7921 (tmm) cc_final: 0.6740 (tmm) REVERT: CY 12 LYS cc_start: 0.9441 (tmtt) cc_final: 0.9133 (pttm) REVERT: CY 13 ASP cc_start: 0.9127 (m-30) cc_final: 0.8777 (m-30) REVERT: C1 1 MET cc_start: 0.7696 (tmm) cc_final: 0.6358 (tmm) REVERT: C5 1 MET cc_start: 0.7648 (tmm) cc_final: 0.7337 (tmm) REVERT: C6 13 ASP cc_start: 0.9073 (m-30) cc_final: 0.8756 (m-30) REVERT: C7 12 LYS cc_start: 0.8836 (tptp) cc_final: 0.8415 (tppt) REVERT: C9 1 MET cc_start: 0.8501 (tmm) cc_final: 0.7671 (tmm) REVERT: C9 9 LYS cc_start: 0.9130 (tmtt) cc_final: 0.8901 (tmtt) REVERT: C9 10 PHE cc_start: 0.8835 (t80) cc_final: 0.8538 (t80) REVERT: DA 13 ASP cc_start: 0.8879 (m-30) cc_final: 0.8616 (m-30) REVERT: DB 1 MET cc_start: 0.8261 (tmm) cc_final: 0.8042 (tmm) REVERT: DD 1 MET cc_start: 0.8355 (tmm) cc_final: 0.7213 (tmm) REVERT: DE 1 MET cc_start: 0.6817 (ptm) cc_final: 0.6254 (ptt) REVERT: DE 12 LYS cc_start: 0.9287 (tttm) cc_final: 0.8965 (ttmm) REVERT: DH 1 MET cc_start: 0.8768 (tmm) cc_final: 0.7954 (tmm) REVERT: DI 1 MET cc_start: 0.8206 (ptm) cc_final: 0.6767 (ptp) REVERT: DL 1 MET cc_start: 0.8424 (tmm) cc_final: 0.6757 (tmm) REVERT: DM 1 MET cc_start: 0.4974 (ptm) cc_final: 0.4159 (pmm) REVERT: DP 1 MET cc_start: 0.8648 (tmm) cc_final: 0.7794 (tmm) REVERT: DP 14 LEU cc_start: 0.8924 (tp) cc_final: 0.8703 (tt) REVERT: DS 1 MET cc_start: 0.7212 (ppp) cc_final: 0.6738 (ppp) REVERT: DV 13 ASP cc_start: 0.8253 (t0) cc_final: 0.7639 (t0) REVERT: DX 1 MET cc_start: 0.8225 (tmm) cc_final: 0.7288 (tmm) REVERT: DX 9 LYS cc_start: 0.9044 (tmtt) cc_final: 0.8757 (tptp) REVERT: DY 1 MET cc_start: 0.6867 (ptp) cc_final: 0.6269 (ptp) REVERT: D0 8 PHE cc_start: 0.8372 (t80) cc_final: 0.7640 (t80) REVERT: D2 12 LYS cc_start: 0.9261 (tttm) cc_final: 0.8841 (tptp) REVERT: D4 1 MET cc_start: 0.8017 (ppp) cc_final: 0.7647 (ppp) REVERT: D5 1 MET cc_start: 0.7911 (tmm) cc_final: 0.7049 (tmm) REVERT: D5 9 LYS cc_start: 0.9278 (tmtt) cc_final: 0.8941 (tptp) REVERT: D6 1 MET cc_start: 0.7422 (ptm) cc_final: 0.6874 (ptm) REVERT: D9 1 MET cc_start: 0.8372 (tmm) cc_final: 0.7155 (tmm) REVERT: EA 13 ASP cc_start: 0.9110 (m-30) cc_final: 0.8895 (m-30) REVERT: EB 12 LYS cc_start: 0.8929 (mmtp) cc_final: 0.8571 (tptt) REVERT: EC 8 PHE cc_start: 0.8219 (t80) cc_final: 0.7330 (t80) REVERT: ED 1 MET cc_start: 0.7914 (tmm) cc_final: 0.7071 (tmm) REVERT: ED 9 LYS cc_start: 0.9252 (tptp) cc_final: 0.8999 (tttt) REVERT: EE 13 ASP cc_start: 0.9113 (m-30) cc_final: 0.8897 (m-30) REVERT: EG 1 MET cc_start: 0.6595 (ppp) cc_final: 0.5917 (ppp) REVERT: EH 1 MET cc_start: 0.8256 (tmm) cc_final: 0.7360 (tmm) REVERT: EJ 12 LYS cc_start: 0.9285 (pptt) cc_final: 0.9057 (tmmt) REVERT: EJ 13 ASP cc_start: 0.8277 (t70) cc_final: 0.7628 (t0) REVERT: EK 1 MET cc_start: 0.6644 (ppp) cc_final: 0.6103 (ppp) REVERT: EM 1 MET cc_start: 0.6758 (ptm) cc_final: 0.5829 (ptp) REVERT: EM 13 ASP cc_start: 0.9238 (m-30) cc_final: 0.8967 (m-30) REVERT: EO 9 LYS cc_start: 0.9364 (mmmt) cc_final: 0.9148 (mmmt) REVERT: EP 1 MET cc_start: 0.8117 (tmm) cc_final: 0.7348 (tmm) REVERT: EQ 1 MET cc_start: 0.5834 (ptm) cc_final: 0.5034 (ptp) REVERT: ES 1 MET cc_start: 0.6257 (ppp) cc_final: 0.4969 (ppp) REVERT: ET 1 MET cc_start: 0.8208 (tmm) cc_final: 0.7573 (tmm) REVERT: EX 4 VAL cc_start: 0.9117 (t) cc_final: 0.8901 (t) REVERT: EX 9 LYS cc_start: 0.9509 (tmtt) cc_final: 0.9195 (tptp) REVERT: EY 1 MET cc_start: 0.7747 (ptm) cc_final: 0.6886 (ptp) REVERT: EZ 1 MET cc_start: 0.7631 (pmm) cc_final: 0.7354 (pmm) REVERT: E1 1 MET cc_start: 0.6690 (tmm) cc_final: 0.6444 (tmm) REVERT: E1 4 VAL cc_start: 0.8890 (t) cc_final: 0.8618 (t) REVERT: E1 9 LYS cc_start: 0.9119 (tmtt) cc_final: 0.8703 (ttmm) REVERT: E2 1 MET cc_start: 0.5992 (ptm) cc_final: 0.5166 (ptp) REVERT: E3 1 MET cc_start: 0.6808 (tmm) cc_final: 0.6509 (tmm) REVERT: E5 14 LEU cc_start: 0.8859 (tp) cc_final: 0.8594 (tt) REVERT: E6 1 MET cc_start: 0.5882 (ptm) cc_final: 0.4147 (pmm) REVERT: E7 6 LYS cc_start: 0.8930 (pttt) cc_final: 0.8500 (mtmt) REVERT: E8 1 MET cc_start: 0.7750 (ppp) cc_final: 0.6782 (ppp) REVERT: E8 2 GLU cc_start: 0.8874 (tm-30) cc_final: 0.8618 (tm-30) REVERT: E8 8 PHE cc_start: 0.7964 (t80) cc_final: 0.7414 (t80) REVERT: E9 1 MET cc_start: 0.7582 (tmm) cc_final: 0.6623 (tmm) REVERT: FA 1 MET cc_start: 0.6574 (ptm) cc_final: 0.6083 (ptt) REVERT: FC 1 MET cc_start: 0.7257 (ppp) cc_final: 0.6154 (ppp) REVERT: FD 1 MET cc_start: 0.8051 (tmm) cc_final: 0.7218 (tmm) REVERT: FE 11 PHE cc_start: 0.7985 (m-80) cc_final: 0.7127 (m-80) REVERT: FG 1 MET cc_start: 0.7706 (ppp) cc_final: 0.7045 (ppp) REVERT: FH 1 MET cc_start: 0.7934 (tmm) cc_final: 0.7184 (tmm) REVERT: FH 10 PHE cc_start: 0.8789 (t80) cc_final: 0.8576 (t80) REVERT: FI 1 MET cc_start: 0.7068 (ptm) cc_final: 0.6669 (ptt) REVERT: FL 1 MET cc_start: 0.8273 (tmm) cc_final: 0.7224 (tmm) REVERT: FO 8 PHE cc_start: 0.8506 (t80) cc_final: 0.8160 (t80) REVERT: FQ 6 LYS cc_start: 0.9213 (ptpp) cc_final: 0.8770 (mtmt) REVERT: FR 17 LYS cc_start: 0.8862 (mtpp) cc_final: 0.8587 (pttt) REVERT: FS 1 MET cc_start: 0.7283 (ppp) cc_final: 0.6596 (ppp) REVERT: FT 1 MET cc_start: 0.7141 (ttp) cc_final: 0.6186 (tmm) REVERT: FU 1 MET cc_start: 0.7026 (ptp) cc_final: 0.6385 (ptt) REVERT: FV 9 LYS cc_start: 0.8845 (tppt) cc_final: 0.8274 (tppt) REVERT: FV 13 ASP cc_start: 0.8480 (m-30) cc_final: 0.7896 (m-30) REVERT: FX 1 MET cc_start: 0.7856 (tmm) cc_final: 0.6776 (tmm) REVERT: FY 1 MET cc_start: 0.7664 (ptm) cc_final: 0.7025 (ptp) REVERT: F1 1 MET cc_start: 0.7493 (tmm) cc_final: 0.7167 (tmm) REVERT: F1 9 LYS cc_start: 0.9305 (tttm) cc_final: 0.9081 (tttm) REVERT: F2 1 MET cc_start: 0.7219 (ptm) cc_final: 0.6777 (ptt) REVERT: F2 6 LYS cc_start: 0.9430 (mmmt) cc_final: 0.9007 (mmmt) REVERT: F2 12 LYS cc_start: 0.9093 (tmmt) cc_final: 0.8588 (pttp) REVERT: F3 2 GLU cc_start: 0.7982 (tp30) cc_final: 0.7726 (tp30) REVERT: F5 1 MET cc_start: 0.8426 (tmm) cc_final: 0.7961 (tmm) REVERT: F8 1 MET cc_start: 0.7365 (ppp) cc_final: 0.6633 (ppp) REVERT: F8 8 PHE cc_start: 0.8592 (t80) cc_final: 0.8320 (t80) REVERT: GA 13 ASP cc_start: 0.9037 (m-30) cc_final: 0.8802 (m-30) REVERT: GC 1 MET cc_start: 0.6925 (ppp) cc_final: 0.5827 (ppp) REVERT: GD 1 MET cc_start: 0.7898 (tmm) cc_final: 0.6627 (tmm) REVERT: GE 1 MET cc_start: 0.8241 (ptm) cc_final: 0.7842 (ptt) REVERT: GF 1 MET cc_start: 0.7100 (tmm) cc_final: 0.6618 (tmm) REVERT: GH 1 MET cc_start: 0.7661 (tmm) cc_final: 0.7104 (tmm) REVERT: GI 13 ASP cc_start: 0.8899 (m-30) cc_final: 0.8259 (m-30) REVERT: GK 1 MET cc_start: 0.6984 (ppp) cc_final: 0.6511 (ppp) REVERT: GL 1 MET cc_start: 0.8034 (tmm) cc_final: 0.6814 (tmm) REVERT: GL 9 LYS cc_start: 0.9223 (tmtt) cc_final: 0.8889 (tmtt) REVERT: GM 12 LYS cc_start: 0.9105 (pttp) cc_final: 0.8666 (pttm) REVERT: GO 9 LYS cc_start: 0.9266 (mptt) cc_final: 0.9028 (mmtm) REVERT: GP 1 MET cc_start: 0.8312 (tmm) cc_final: 0.7083 (tmm) REVERT: GQ 1 MET cc_start: 0.6846 (ptm) cc_final: 0.6037 (ptt) REVERT: GQ 12 LYS cc_start: 0.9286 (tttm) cc_final: 0.8918 (ttmt) REVERT: GT 1 MET cc_start: 0.8679 (tmm) cc_final: 0.7748 (tmm) REVERT: GU 1 MET cc_start: 0.8030 (ptm) cc_final: 0.7583 (ptp) REVERT: GX 1 MET cc_start: 0.8391 (tmm) cc_final: 0.7244 (tmm) REVERT: G0 1 MET cc_start: 0.7307 (ppp) cc_final: 0.6688 (ppp) REVERT: G1 1 MET cc_start: 0.8599 (tmm) cc_final: 0.7792 (tmm) REVERT: G2 1 MET cc_start: 0.6823 (ptm) cc_final: 0.6032 (ptp) REVERT: G3 1 MET cc_start: 0.7961 (tmm) cc_final: 0.7316 (tmm) REVERT: G4 1 MET cc_start: 0.7161 (ppp) cc_final: 0.6754 (ppp) REVERT: G5 1 MET cc_start: 0.7729 (tmm) cc_final: 0.6944 (tmm) REVERT: G6 12 LYS cc_start: 0.9526 (tmtt) cc_final: 0.9153 (tptp) REVERT: G9 1 MET cc_start: 0.8205 (tmm) cc_final: 0.7047 (tmm) REVERT: HA 6 LYS cc_start: 0.9234 (mtmm) cc_final: 0.8682 (mtpt) REVERT: HC 1 MET cc_start: 0.7114 (ppp) cc_final: 0.6430 (ppp) REVERT: HD 1 MET cc_start: 0.7847 (tmm) cc_final: 0.6709 (tmm) REVERT: HH 9 LYS cc_start: 0.9326 (tptm) cc_final: 0.8949 (tptp) REVERT: HI 1 MET cc_start: 0.7012 (ptm) cc_final: 0.6404 (ptm) REVERT: HI 13 ASP cc_start: 0.8826 (m-30) cc_final: 0.8614 (m-30) REVERT: HL 1 MET cc_start: 0.8475 (tmm) cc_final: 0.7279 (tmm) REVERT: HM 9 LYS cc_start: 0.9126 (ttmm) cc_final: 0.8354 (mtmm) REVERT: HM 12 LYS cc_start: 0.9420 (pttp) cc_final: 0.8847 (pttm) REVERT: HM 13 ASP cc_start: 0.9041 (m-30) cc_final: 0.8631 (m-30) REVERT: HN 12 LYS cc_start: 0.8772 (tppt) cc_final: 0.8505 (tppt) REVERT: HP 1 MET cc_start: 0.8238 (tmm) cc_final: 0.6821 (tmm) REVERT: HP 9 LYS cc_start: 0.9400 (tmtt) cc_final: 0.9068 (tptp) REVERT: HT 1 MET cc_start: 0.8417 (tmm) cc_final: 0.7361 (tmm) REVERT: HU 12 LYS cc_start: 0.9188 (pptt) cc_final: 0.8819 (pptt) REVERT: HW 1 MET cc_start: 0.6969 (ppp) cc_final: 0.6562 (ppp) REVERT: HX 1 MET cc_start: 0.8346 (ttp) cc_final: 0.7693 (tmm) REVERT: HY 1 MET cc_start: 0.6727 (ptm) cc_final: 0.6033 (ptp) REVERT: HY 13 ASP cc_start: 0.9034 (m-30) cc_final: 0.8808 (m-30) REVERT: H1 1 MET cc_start: 0.7810 (tmm) cc_final: 0.7301 (tmm) REVERT: H1 10 PHE cc_start: 0.8854 (t80) cc_final: 0.8529 (t80) REVERT: H2 1 MET cc_start: 0.6107 (ptm) cc_final: 0.5284 (ptp) REVERT: H3 6 LYS cc_start: 0.8672 (pttt) cc_final: 0.7669 (pttt) REVERT: H5 1 MET cc_start: 0.8066 (tmm) cc_final: 0.7340 (tmm) REVERT: H7 1 MET cc_start: 0.7037 (pmm) cc_final: 0.6491 (pmm) REVERT: H8 2 GLU cc_start: 0.8142 (tm-30) cc_final: 0.7470 (mp0) REVERT: H9 1 MET cc_start: 0.7500 (tmm) cc_final: 0.7093 (tmm) REVERT: H9 9 LYS cc_start: 0.9494 (tmtt) cc_final: 0.9132 (tptp) REVERT: IA 1 MET cc_start: 0.7781 (ptm) cc_final: 0.6760 (ptp) REVERT: IA 17 LYS cc_start: 0.8664 (ttpt) cc_final: 0.7724 (mmmt) REVERT: IC 1 MET cc_start: 0.7005 (ppp) cc_final: 0.6771 (ppp) REVERT: ID 1 MET cc_start: 0.6636 (tmm) cc_final: 0.5997 (tmm) REVERT: ID 4 VAL cc_start: 0.8775 (p) cc_final: 0.8402 (p) REVERT: IE 1 MET cc_start: 0.5849 (ptm) cc_final: 0.5303 (ptp) REVERT: II 1 MET cc_start: 0.6025 (ptm) cc_final: 0.5014 (ptp) REVERT: II 7 LEU cc_start: 0.9338 (tt) cc_final: 0.9019 (tt) REVERT: IL 1 MET cc_start: 0.7212 (tmm) cc_final: 0.5962 (tmm) REVERT: IM 17 LYS cc_start: 0.8898 (ttmm) cc_final: 0.8436 (tmtt) REVERT: IP 1 MET cc_start: 0.7753 (ttp) cc_final: 0.7269 (tmm) REVERT: IS 1 MET cc_start: 0.7607 (ppp) cc_final: 0.6482 (ppp) REVERT: IT 1 MET cc_start: 0.7579 (tmm) cc_final: 0.7063 (tmm) REVERT: IT 10 PHE cc_start: 0.8829 (t80) cc_final: 0.8605 (t80) REVERT: IU 1 MET cc_start: 0.7008 (ptm) cc_final: 0.6678 (ptt) REVERT: IU 6 LYS cc_start: 0.8756 (pttm) cc_final: 0.8500 (pttt) REVERT: IV 6 LYS cc_start: 0.9347 (tppt) cc_final: 0.9068 (mmmt) REVERT: IX 1 MET cc_start: 0.7810 (tmm) cc_final: 0.6598 (tmm) REVERT: IY 12 LYS cc_start: 0.9319 (pptt) cc_final: 0.9018 (pttm) REVERT: I0 9 LYS cc_start: 0.9656 (mtpt) cc_final: 0.9080 (mmmm) REVERT: I1 1 MET cc_start: 0.8145 (tmm) cc_final: 0.7645 (tmm) REVERT: I2 6 LYS cc_start: 0.9353 (pttm) cc_final: 0.9136 (mtmm) REVERT: I4 1 MET cc_start: 0.7054 (ppp) cc_final: 0.6155 (ppp) REVERT: I5 1 MET cc_start: 0.7502 (ttp) cc_final: 0.6215 (tmm) REVERT: I9 1 MET cc_start: 0.7691 (tmm) cc_final: 0.7243 (tmm) REVERT: I9 9 LYS cc_start: 0.8883 (tmtt) cc_final: 0.8576 (mmtp) REVERT: JA 1 MET cc_start: 0.7790 (ptm) cc_final: 0.6704 (ptp) REVERT: JA 12 LYS cc_start: 0.9324 (pttp) cc_final: 0.9070 (pttp) REVERT: JD 9 LYS cc_start: 0.9336 (tttm) cc_final: 0.8904 (tptt) REVERT: JE 6 LYS cc_start: 0.9436 (mmmt) cc_final: 0.9197 (mmmm) REVERT: JH 1 MET cc_start: 0.8428 (tmm) cc_final: 0.7714 (tmm) REVERT: JI 1 MET cc_start: 0.7954 (ptm) cc_final: 0.6905 (pmm) REVERT: JK 1 MET cc_start: 0.6886 (ppp) cc_final: 0.6235 (ppp) REVERT: JM 1 MET cc_start: 0.8006 (ptm) cc_final: 0.7394 (ptt) REVERT: JO 1 MET cc_start: 0.6792 (ppp) cc_final: 0.6035 (ppp) REVERT: JP 1 MET cc_start: 0.7906 (tmm) cc_final: 0.6468 (tmm) REVERT: JQ 17 LYS cc_start: 0.8283 (mtmt) cc_final: 0.8030 (mmmt) REVERT: JS 1 MET cc_start: 0.6874 (ppp) cc_final: 0.6035 (ppp) REVERT: JT 1 MET cc_start: 0.8073 (tmm) cc_final: 0.7561 (tmm) REVERT: JV 1 MET cc_start: 0.7674 (tmm) cc_final: 0.7226 (tmm) REVERT: JV 9 LYS cc_start: 0.8937 (tptp) cc_final: 0.8640 (tptp) REVERT: JW 1 MET cc_start: 0.7048 (ppp) cc_final: 0.6556 (ppp) REVERT: JX 1 MET cc_start: 0.8294 (tmm) cc_final: 0.7300 (tmm) REVERT: JY 12 LYS cc_start: 0.9216 (tttm) cc_final: 0.8985 (pttm) REVERT: JZ 1 MET cc_start: 0.8355 (tmm) cc_final: 0.8059 (tmm) REVERT: J0 8 PHE cc_start: 0.8178 (t80) cc_final: 0.7868 (t80) REVERT: J1 1 MET cc_start: 0.8298 (tmm) cc_final: 0.7028 (tmm) REVERT: J2 1 MET cc_start: 0.6700 (ptm) cc_final: 0.6044 (ptt) REVERT: J2 6 LYS cc_start: 0.9553 (mmmt) cc_final: 0.9276 (mtmt) REVERT: J5 1 MET cc_start: 0.8418 (tmm) cc_final: 0.7581 (tmm) REVERT: J6 13 ASP cc_start: 0.8760 (m-30) cc_final: 0.8522 (m-30) REVERT: J7 1 MET cc_start: 0.7776 (tmm) cc_final: 0.7463 (tmm) REVERT: J9 1 MET cc_start: 0.8161 (tmm) cc_final: 0.6782 (tmm) REVERT: KB 2 GLU cc_start: 0.8179 (tp30) cc_final: 0.7896 (tp30) REVERT: KC 1 MET cc_start: 0.7256 (ppp) cc_final: 0.6614 (ppp) REVERT: KD 1 MET cc_start: 0.7968 (tmm) cc_final: 0.7510 (tmm) REVERT: KE 1 MET cc_start: 0.7036 (ptm) cc_final: 0.6437 (ptp) REVERT: KH 1 MET cc_start: 0.7682 (tmm) cc_final: 0.6308 (tmm) REVERT: KI 6 LYS cc_start: 0.9034 (ptpp) cc_final: 0.8693 (pttp) REVERT: KK 1 MET cc_start: 0.7537 (ppp) cc_final: 0.6747 (ppp) REVERT: KL 1 MET cc_start: 0.8355 (tmm) cc_final: 0.7667 (tmm) REVERT: KO 8 PHE cc_start: 0.8220 (t80) cc_final: 0.7571 (t80) REVERT: KP 1 MET cc_start: 0.8167 (tmm) cc_final: 0.6956 (tmm) REVERT: KQ 12 LYS cc_start: 0.9336 (tttm) cc_final: 0.8902 (tptp) REVERT: KS 1 MET cc_start: 0.7875 (ppp) cc_final: 0.7655 (ppp) REVERT: KV 6 LYS cc_start: 0.8718 (ttpt) cc_final: 0.8397 (ttpt) REVERT: KW 1 MET cc_start: 0.6924 (ppp) cc_final: 0.5479 (ppp) REVERT: KX 10 PHE cc_start: 0.8935 (t80) cc_final: 0.8714 (t80) REVERT: KY 12 LYS cc_start: 0.9376 (pttp) cc_final: 0.9172 (pptt) REVERT: K0 1 MET cc_start: 0.7206 (ptp) cc_final: 0.6844 (ptt) REVERT: K4 1 MET cc_start: 0.6437 (ppp) cc_final: 0.5619 (ppp) REVERT: K5 1 MET cc_start: 0.7908 (tmm) cc_final: 0.6916 (tmm) REVERT: K7 13 ASP cc_start: 0.7890 (p0) cc_final: 0.7367 (p0) REVERT: K9 1 MET cc_start: 0.8355 (tmm) cc_final: 0.7864 (tmm) REVERT: LA 1 MET cc_start: 0.7321 (ptm) cc_final: 0.6342 (ptp) REVERT: LC 1 MET cc_start: 0.5195 (ptp) cc_final: 0.4948 (ptt) REVERT: LD 1 MET cc_start: 0.8013 (tmm) cc_final: 0.7191 (tmm) REVERT: LE 1 MET cc_start: 0.5384 (ptm) cc_final: 0.4665 (ptp) REVERT: LG 1 MET cc_start: 0.5939 (ppp) cc_final: 0.4721 (ppp) REVERT: LH 1 MET cc_start: 0.8229 (tmm) cc_final: 0.7424 (tmm) REVERT: LK 2 GLU cc_start: 0.8299 (tm-30) cc_final: 0.7380 (mp0) REVERT: LL 9 LYS cc_start: 0.9486 (tmtt) cc_final: 0.9181 (tptp) REVERT: LM 1 MET cc_start: 0.7878 (ptm) cc_final: 0.7104 (ptp) REVERT: LP 1 MET cc_start: 0.6649 (tmm) cc_final: 0.6208 (tmm) REVERT: LQ 1 MET cc_start: 0.5990 (ptm) cc_final: 0.5064 (ptp) REVERT: LR 1 MET cc_start: 0.6892 (pmm) cc_final: 0.6246 (pmm) REVERT: LR 17 LYS cc_start: 0.8725 (mtpp) cc_final: 0.8273 (mmtm) REVERT: LT 9 LYS cc_start: 0.9345 (tmtt) cc_final: 0.9083 (tptp) REVERT: LU 1 MET cc_start: 0.5621 (ptm) cc_final: 0.5074 (ptp) REVERT: LV 6 LYS cc_start: 0.8810 (pttt) cc_final: 0.8368 (mtmt) REVERT: LX 1 MET cc_start: 0.7653 (tmm) cc_final: 0.6956 (tmm) REVERT: LY 1 MET cc_start: 0.7125 (ptm) cc_final: 0.6170 (ptp) REVERT: LY 17 LYS cc_start: 0.8816 (ttmm) cc_final: 0.8411 (tmtt) REVERT: LZ 6 LYS cc_start: 0.7412 (ttpt) cc_final: 0.6461 (tmtt) REVERT: L1 1 MET cc_start: 0.7767 (tmm) cc_final: 0.7165 (tmm) REVERT: L1 10 PHE cc_start: 0.8596 (t80) cc_final: 0.8121 (t80) REVERT: L2 7 LEU cc_start: 0.8948 (tt) cc_final: 0.8741 (tp) REVERT: L2 11 PHE cc_start: 0.7848 (m-10) cc_final: 0.7481 (m-80) REVERT: L4 1 MET cc_start: 0.7398 (ppp) cc_final: 0.6502 (ppp) REVERT: L5 1 MET cc_start: 0.7108 (tmm) cc_final: 0.6235 (tmm) REVERT: L5 9 LYS cc_start: 0.9093 (tmtt) cc_final: 0.8872 (ttmt) REVERT: L6 11 PHE cc_start: 0.7744 (m-80) cc_final: 0.7438 (m-80) REVERT: L6 12 LYS cc_start: 0.9431 (pptt) cc_final: 0.9164 (pptt) REVERT: L9 1 MET cc_start: 0.8132 (tmm) cc_final: 0.6881 (tmm) REVERT: MC 2 GLU cc_start: 0.8759 (tm-30) cc_final: 0.8550 (tm-30) REVERT: MC 9 LYS cc_start: 0.9637 (mtpt) cc_final: 0.9236 (mmmt) REVERT: MG 1 MET cc_start: 0.7102 (ppp) cc_final: 0.6146 (ppp) REVERT: MH 1 MET cc_start: 0.7188 (tmm) cc_final: 0.6337 (tmm) REVERT: MJ 1 MET cc_start: 0.8115 (pmm) cc_final: 0.7791 (pmm) REVERT: MJ 9 LYS cc_start: 0.8730 (tptp) cc_final: 0.8293 (tppt) REVERT: ML 1 MET cc_start: 0.8058 (tmm) cc_final: 0.7623 (tmm) REVERT: MM 1 MET cc_start: 0.7764 (ptm) cc_final: 0.7209 (ptp) REVERT: MM 12 LYS cc_start: 0.9248 (pttm) cc_final: 0.8831 (pttp) REVERT: MO 1 MET cc_start: 0.7025 (ppp) cc_final: 0.6424 (ppp) REVERT: MQ 1 MET cc_start: 0.7546 (ptm) cc_final: 0.7000 (ptt) REVERT: MT 1 MET cc_start: 0.8403 (tmm) cc_final: 0.7456 (tmm) REVERT: MV 1 MET cc_start: 0.7294 (tmm) cc_final: 0.6927 (tmm) REVERT: MV 13 ASP cc_start: 0.8232 (m-30) cc_final: 0.7754 (m-30) REVERT: MV 17 LYS cc_start: 0.8990 (mtpp) cc_final: 0.8781 (mmtm) REVERT: MW 1 MET cc_start: 0.6812 (ppp) cc_final: 0.6473 (ppp) REVERT: MX 9 LYS cc_start: 0.8950 (tmtt) cc_final: 0.8474 (mtmt) REVERT: M0 1 MET cc_start: 0.7073 (ppp) cc_final: 0.5963 (ppp) REVERT: M1 1 MET cc_start: 0.7907 (tmm) cc_final: 0.7640 (tmm) REVERT: M1 9 LYS cc_start: 0.9410 (tmtt) cc_final: 0.9168 (tptp) REVERT: M2 18 PHE cc_start: 0.8379 (t80) cc_final: 0.7993 (t80) REVERT: M4 1 MET cc_start: 0.6342 (ppp) cc_final: 0.5935 (ppp) REVERT: M5 1 MET cc_start: 0.7735 (tmm) cc_final: 0.7013 (tmm) REVERT: M6 13 ASP cc_start: 0.8838 (m-30) cc_final: 0.8558 (m-30) REVERT: M7 12 LYS cc_start: 0.8871 (tptp) cc_final: 0.8599 (tppt) REVERT: M8 1 MET cc_start: 0.7067 (ppp) cc_final: 0.6488 (ppp) REVERT: M9 1 MET cc_start: 0.8553 (tmm) cc_final: 0.7981 (tmm) REVERT: M9 9 LYS cc_start: 0.9190 (tmtt) cc_final: 0.8974 (tmtt) REVERT: NB 1 MET cc_start: 0.8349 (tmm) cc_final: 0.7849 (tmm) REVERT: NC 8 PHE cc_start: 0.8215 (t80) cc_final: 0.7977 (t80) REVERT: NE 12 LYS cc_start: 0.9254 (tttm) cc_final: 0.9033 (ttmt) REVERT: NG 1 MET cc_start: 0.7249 (ppp) cc_final: 0.5955 (ppp) REVERT: NH 1 MET cc_start: 0.8794 (tmm) cc_final: 0.7849 (tmm) REVERT: NI 1 MET cc_start: 0.8209 (ptm) cc_final: 0.6937 (ptp) REVERT: NL 1 MET cc_start: 0.8374 (tmm) cc_final: 0.7000 (tmm) REVERT: NM 1 MET cc_start: 0.4783 (ptm) cc_final: 0.3885 (pmm) REVERT: NO 1 MET cc_start: 0.6978 (ppp) cc_final: 0.6294 (ppp) REVERT: NP 1 MET cc_start: 0.8423 (tmm) cc_final: 0.7548 (tmm) REVERT: NS 1 MET cc_start: 0.7242 (ppp) cc_final: 0.6652 (ppp) REVERT: NU 1 MET cc_start: 0.6796 (ptm) cc_final: 0.6270 (ptt) REVERT: NW 1 MET cc_start: 0.7013 (ppp) cc_final: 0.6806 (ppp) REVERT: NX 1 MET cc_start: 0.8358 (tmm) cc_final: 0.6873 (tmm) REVERT: N0 1 MET cc_start: 0.7412 (ppp) cc_final: 0.6572 (ppp) REVERT: N2 12 LYS cc_start: 0.9219 (tttm) cc_final: 0.8821 (tptp) REVERT: N5 1 MET cc_start: 0.7978 (tmm) cc_final: 0.7114 (tmm) REVERT: N6 1 MET cc_start: 0.7080 (ptm) cc_final: 0.6818 (ptm) REVERT: N6 13 ASP cc_start: 0.8924 (m-30) cc_final: 0.8673 (m-30) REVERT: N9 1 MET cc_start: 0.8492 (tmm) cc_final: 0.7090 (tmm) REVERT: OA 1 MET cc_start: 0.6211 (ptm) cc_final: 0.5973 (ptp) REVERT: OA 12 LYS cc_start: 0.9520 (pttp) cc_final: 0.9280 (pttm) REVERT: OC 8 PHE cc_start: 0.8107 (t80) cc_final: 0.7371 (t80) REVERT: OD 1 MET cc_start: 0.8168 (tmm) cc_final: 0.6728 (tmm) REVERT: OE 6 LYS cc_start: 0.9378 (mtpp) cc_final: 0.8817 (ttmm) REVERT: OG 1 MET cc_start: 0.6501 (ppp) cc_final: 0.5817 (ppp) REVERT: OH 1 MET cc_start: 0.8393 (tmm) cc_final: 0.7251 (tmm) REVERT: OM 1 MET cc_start: 0.7421 (ptm) cc_final: 0.6506 (ptp) REVERT: ON 6 LYS cc_start: 0.9130 (tmmt) cc_final: 0.8920 (ttpp) REVERT: OP 1 MET cc_start: 0.8053 (tmm) cc_final: 0.7419 (tmm) REVERT: OQ 1 MET cc_start: 0.6075 (ptm) cc_final: 0.5528 (ptp) REVERT: OT 1 MET cc_start: 0.8364 (tmm) cc_final: 0.7520 (tmm) REVERT: OW 1 MET cc_start: 0.6194 (ppp) cc_final: 0.5532 (ppp) REVERT: OX 4 VAL cc_start: 0.8970 (t) cc_final: 0.8744 (t) REVERT: OY 1 MET cc_start: 0.7763 (ptm) cc_final: 0.6930 (ptp) REVERT: O2 1 MET cc_start: 0.6266 (ptt) cc_final: 0.4501 (pmm) REVERT: O6 1 MET cc_start: 0.6655 (ptm) cc_final: 0.5868 (ptp) REVERT: O6 6 LYS cc_start: 0.9372 (ptpp) cc_final: 0.9058 (mtmm) REVERT: O8 1 MET cc_start: 0.7321 (ppp) cc_final: 0.6627 (ppp) REVERT: O9 1 MET cc_start: 0.7921 (tmm) cc_final: 0.6928 (tmm) REVERT: PA 1 MET cc_start: 0.6862 (ptm) cc_final: 0.6282 (ptt) REVERT: PA 9 LYS cc_start: 0.7365 (tptp) cc_final: 0.6701 (tptp) REVERT: PA 13 ASP cc_start: 0.8582 (m-30) cc_final: 0.7718 (m-30) REVERT: PD 1 MET cc_start: 0.7857 (tmm) cc_final: 0.7335 (tmm) REVERT: PE 11 PHE cc_start: 0.7938 (m-80) cc_final: 0.7586 (m-80) REVERT: PG 1 MET cc_start: 0.7917 (ppp) cc_final: 0.7032 (ppp) REVERT: PH 1 MET cc_start: 0.7518 (tmm) cc_final: 0.6761 (tmm) REVERT: PI 7 LEU cc_start: 0.9163 (tt) cc_final: 0.8936 (tt) REVERT: PI 11 PHE cc_start: 0.7902 (m-80) cc_final: 0.7656 (m-80) REVERT: PL 1 MET cc_start: 0.8025 (tmm) cc_final: 0.7020 (tmm) REVERT: PO 1 MET cc_start: 0.6956 (ppp) cc_final: 0.5820 (ppp) REVERT: PO 9 LYS cc_start: 0.9594 (mtpt) cc_final: 0.9128 (mmmm) REVERT: PP 1 MET cc_start: 0.7811 (tmm) cc_final: 0.6636 (tmm) REVERT: PT 1 MET cc_start: 0.7439 (tmm) cc_final: 0.6099 (tmm) REVERT: PX 1 MET cc_start: 0.8187 (tmm) cc_final: 0.7586 (tmm) REVERT: PY 1 MET cc_start: 0.7628 (ptm) cc_final: 0.6805 (ptp) REVERT: PY 12 LYS cc_start: 0.9303 (pttm) cc_final: 0.8971 (pttp) REVERT: P1 1 MET cc_start: 0.7638 (tmm) cc_final: 0.7174 (tmm) REVERT: P2 1 MET cc_start: 0.7674 (ptm) cc_final: 0.7045 (ptp) REVERT: P5 1 MET cc_start: 0.8530 (tmm) cc_final: 0.7294 (tmm) REVERT: P6 1 MET cc_start: 0.7857 (ptm) cc_final: 0.6879 (pmm) REVERT: P8 1 MET cc_start: 0.7203 (ppp) cc_final: 0.6681 (ppp) REVERT: QA 13 ASP cc_start: 0.9080 (m-30) cc_final: 0.8805 (m-30) REVERT: QD 1 MET cc_start: 0.7852 (tmm) cc_final: 0.6626 (tmm) REVERT: QD 9 LYS cc_start: 0.9272 (tmtt) cc_final: 0.9059 (tptp) REVERT: QH 1 MET cc_start: 0.8065 (tmm) cc_final: 0.7356 (tmm) REVERT: QI 13 ASP cc_start: 0.9017 (m-30) cc_final: 0.8762 (m-30) REVERT: QJ 1 MET cc_start: 0.7587 (ppp) cc_final: 0.7055 (ppp) REVERT: QK 1 MET cc_start: 0.7284 (ppp) cc_final: 0.6834 (ppp) REVERT: QL 1 MET cc_start: 0.8241 (tmm) cc_final: 0.6945 (tmm) REVERT: QM 12 LYS cc_start: 0.9216 (tmtt) cc_final: 0.8899 (pttm) REVERT: QN 1 MET cc_start: 0.8219 (tmm) cc_final: 0.7698 (tmm) REVERT: QO 1 MET cc_start: 0.6873 (ppp) cc_final: 0.6272 (ppp) REVERT: QP 1 MET cc_start: 0.7960 (ttp) cc_final: 0.7352 (tmm) REVERT: QT 1 MET cc_start: 0.8596 (tmm) cc_final: 0.7816 (tmm) REVERT: QU 1 MET cc_start: 0.8306 (ptm) cc_final: 0.7079 (ptp) REVERT: QW 1 MET cc_start: 0.6806 (ppp) cc_final: 0.5976 (ppp) REVERT: QX 1 MET cc_start: 0.8282 (tmm) cc_final: 0.6962 (tmm) REVERT: QY 18 PHE cc_start: 0.8636 (t80) cc_final: 0.8354 (t80) REVERT: Q1 1 MET cc_start: 0.8437 (tmm) cc_final: 0.7241 (tmm) REVERT: Q2 12 LYS cc_start: 0.9147 (tmtt) cc_final: 0.8887 (mttm) REVERT: Q8 1 MET cc_start: 0.7297 (ppp) cc_final: 0.6353 (ppp) REVERT: Q9 9 LYS cc_start: 0.9239 (tppp) cc_final: 0.8881 (tptp) REVERT: RC 1 MET cc_start: 0.7068 (ppp) cc_final: 0.6739 (ppp) REVERT: RC 8 PHE cc_start: 0.8439 (t80) cc_final: 0.7986 (t80) REVERT: RD 1 MET cc_start: 0.8001 (tmm) cc_final: 0.6748 (tmm) REVERT: RE 12 LYS cc_start: 0.9214 (tttm) cc_final: 0.8878 (tptp) REVERT: RG 1 MET cc_start: 0.7732 (ppp) cc_final: 0.7506 (ppp) REVERT: RH 1 MET cc_start: 0.7840 (tmm) cc_final: 0.6663 (tmm) REVERT: RH 9 LYS cc_start: 0.9270 (tmtt) cc_final: 0.8906 (tptp) REVERT: RM 1 MET cc_start: 0.6691 (ptm) cc_final: 0.5745 (pmm) REVERT: RM 9 LYS cc_start: 0.9074 (ttmm) cc_final: 0.8753 (mtmm) REVERT: RM 13 ASP cc_start: 0.8826 (m-30) cc_final: 0.8612 (m-30) REVERT: RM 21 ASN cc_start: 0.7391 (m-40) cc_final: 0.7100 (t0) REVERT: RP 1 MET cc_start: 0.8389 (tmm) cc_final: 0.7439 (tmm) REVERT: RP 9 LYS cc_start: 0.9331 (tmtt) cc_final: 0.8953 (tptp) REVERT: RS 1 MET cc_start: 0.6102 (ppp) cc_final: 0.5196 (ppp) REVERT: RT 1 MET cc_start: 0.8053 (tmm) cc_final: 0.6977 (tmm) REVERT: RU 12 LYS cc_start: 0.9216 (pptt) cc_final: 0.9003 (pptt) REVERT: RV 12 LYS cc_start: 0.9039 (tmmt) cc_final: 0.8771 (ttpp) REVERT: RW 1 MET cc_start: 0.7217 (ppp) cc_final: 0.6281 (ppp) REVERT: RY 1 MET cc_start: 0.6527 (ptm) cc_final: 0.4975 (pmm) REVERT: RY 13 ASP cc_start: 0.9064 (m-30) cc_final: 0.8851 (m-30) REVERT: RZ 6 LYS cc_start: 0.9184 (tmmt) cc_final: 0.8941 (ttpp) REVERT: R1 1 MET cc_start: 0.7735 (tmm) cc_final: 0.7010 (tmm) REVERT: R2 1 MET cc_start: 0.5518 (ptm) cc_final: 0.4660 (ptp) REVERT: R3 1 MET cc_start: 0.6940 (pmm) cc_final: 0.6716 (pmm) REVERT: R3 6 LYS cc_start: 0.8747 (pttt) cc_final: 0.7985 (pttt) REVERT: R3 13 ASP cc_start: 0.8286 (t0) cc_final: 0.8030 (t0) REVERT: R5 1 MET cc_start: 0.8334 (tmm) cc_final: 0.7338 (tmm) REVERT: R8 1 MET cc_start: 0.6446 (ppp) cc_final: 0.6076 (ppp) REVERT: R8 8 PHE cc_start: 0.8776 (t80) cc_final: 0.8485 (t80) REVERT: R9 1 MET cc_start: 0.7988 (tmm) cc_final: 0.7343 (tmm) REVERT: R9 9 LYS cc_start: 0.9483 (tmtt) cc_final: 0.9107 (tptp) REVERT: SA 1 MET cc_start: 0.7860 (ptm) cc_final: 0.6882 (ptp) REVERT: SB 6 LYS cc_start: 0.9042 (tttt) cc_final: 0.8526 (ttpt) REVERT: SD 1 MET cc_start: 0.6723 (tmm) cc_final: 0.6392 (tmm) REVERT: SD 4 VAL cc_start: 0.8889 (t) cc_final: 0.8585 (t) REVERT: SE 1 MET cc_start: 0.6133 (ptm) cc_final: 0.5319 (ptp) REVERT: SF 1 MET cc_start: 0.7085 (ppp) cc_final: 0.6861 (ppp) REVERT: SI 1 MET cc_start: 0.5796 (ptm) cc_final: 0.4744 (ptp) REVERT: SK 1 MET cc_start: 0.7600 (ppp) cc_final: 0.7234 (ppp) REVERT: SL 1 MET cc_start: 0.7581 (tmm) cc_final: 0.6855 (tmm) REVERT: SM 1 MET cc_start: 0.6751 (ptm) cc_final: 0.6442 (ptt) REVERT: SM 17 LYS cc_start: 0.8894 (ttmm) cc_final: 0.8585 (tmtt) REVERT: SO 1 MET cc_start: 0.7503 (ppp) cc_final: 0.6525 (ppp) REVERT: SP 1 MET cc_start: 0.8249 (tmm) cc_final: 0.6990 (tmm) REVERT: SS 1 MET cc_start: 0.7773 (ppp) cc_final: 0.7172 (ppp) REVERT: ST 1 MET cc_start: 0.7481 (tmm) cc_final: 0.6723 (tmm) REVERT: SU 1 MET cc_start: 0.7547 (ptm) cc_final: 0.7092 (ptp) REVERT: SV 1 MET cc_start: 0.8050 (pmm) cc_final: 0.7721 (pmm) REVERT: SW 9 LYS cc_start: 0.9292 (mmmt) cc_final: 0.9075 (mmmm) REVERT: SX 1 MET cc_start: 0.8246 (tmm) cc_final: 0.7157 (tmm) REVERT: S0 2 GLU cc_start: 0.8867 (tm-30) cc_final: 0.8655 (tm-30) REVERT: S0 8 PHE cc_start: 0.8447 (t80) cc_final: 0.8167 (t80) REVERT: S2 1 MET cc_start: 0.7257 (ptm) cc_final: 0.6957 (ptp) REVERT: S3 17 LYS cc_start: 0.8647 (pttm) cc_final: 0.8441 (pttm) REVERT: S7 17 LYS cc_start: 0.8003 (pptt) cc_final: 0.7786 (mmtm) REVERT: S9 1 MET cc_start: 0.7999 (tmm) cc_final: 0.6938 (tmm) REVERT: TA 1 MET cc_start: 0.7382 (ptm) cc_final: 0.5850 (pmm) REVERT: TA 12 LYS cc_start: 0.9157 (pttp) cc_final: 0.8907 (pttp) REVERT: TC 1 MET cc_start: 0.7010 (ppp) cc_final: 0.6552 (ppp) REVERT: TH 1 MET cc_start: 0.8599 (tmm) cc_final: 0.7335 (tmm) REVERT: TI 1 MET cc_start: 0.7857 (ptm) cc_final: 0.6927 (pmm) REVERT: TJ 1 MET cc_start: 0.7518 (tmm) cc_final: 0.7176 (tmm) REVERT: TJ 2 GLU cc_start: 0.7970 (mt-10) cc_final: 0.7530 (mp0) REVERT: TK 1 MET cc_start: 0.6667 (ppp) cc_final: 0.5768 (ppp) REVERT: TL 1 MET cc_start: 0.7971 (tmm) cc_final: 0.6758 (tmm) REVERT: TM 13 ASP cc_start: 0.9120 (m-30) cc_final: 0.8880 (m-30) REVERT: TP 1 MET cc_start: 0.7978 (tmm) cc_final: 0.6314 (tmm) REVERT: TP 9 LYS cc_start: 0.9364 (tmtt) cc_final: 0.9093 (tptp) REVERT: TR 17 LYS cc_start: 0.8550 (ptmm) cc_final: 0.7957 (pttp) REVERT: TS 1 MET cc_start: 0.6679 (ppp) cc_final: 0.5389 (ppp) REVERT: TT 1 MET cc_start: 0.7900 (tmm) cc_final: 0.7631 (tmm) REVERT: TT 9 LYS cc_start: 0.9304 (ttmm) cc_final: 0.9054 (mmmm) REVERT: TW 1 MET cc_start: 0.6680 (ppp) cc_final: 0.6031 (ppp) REVERT: TX 1 MET cc_start: 0.8332 (tmm) cc_final: 0.7154 (tmm) REVERT: TX 9 LYS cc_start: 0.9060 (tttm) cc_final: 0.8768 (tmtt) REVERT: TY 13 ASP cc_start: 0.9037 (m-30) cc_final: 0.8733 (m-30) REVERT: T0 1 MET cc_start: 0.6786 (ppp) cc_final: 0.5533 (ppp) REVERT: T1 3 PHE cc_start: 0.8144 (m-10) cc_final: 0.7923 (m-10) REVERT: T5 1 MET cc_start: 0.8453 (tmm) cc_final: 0.7540 (tmm) REVERT: T6 1 MET cc_start: 0.7929 (ptm) cc_final: 0.6607 (ptp) REVERT: T6 12 LYS cc_start: 0.9181 (tttm) cc_final: 0.8875 (tptp) REVERT: T9 1 MET cc_start: 0.8167 (tmm) cc_final: 0.6731 (tmm) REVERT: UC 1 MET cc_start: 0.7221 (ppp) cc_final: 0.6600 (ppp) REVERT: UD 1 MET cc_start: 0.8720 (tmm) cc_final: 0.7852 (tmm) REVERT: UE 1 MET cc_start: 0.7331 (ptm) cc_final: 0.6555 (ptp) REVERT: UF 1 MET cc_start: 0.8584 (tmm) cc_final: 0.7966 (tmm) REVERT: UG 1 MET cc_start: 0.7213 (ppp) cc_final: 0.6788 (ppp) REVERT: UH 1 MET cc_start: 0.8238 (tmm) cc_final: 0.7044 (tmm) REVERT: UK 1 MET cc_start: 0.7493 (ppp) cc_final: 0.6645 (ppp) REVERT: UN 1 MET cc_start: 0.7259 (ppp) cc_final: 0.7012 (ppp) REVERT: UO 1 MET cc_start: 0.6937 (ppp) cc_final: 0.6374 (ppp) REVERT: UQ 12 LYS cc_start: 0.9311 (tttm) cc_final: 0.9030 (tptp) REVERT: US 1 MET cc_start: 0.7588 (ppp) cc_final: 0.7225 (ppp) REVERT: UT 1 MET cc_start: 0.7943 (tmm) cc_final: 0.6725 (tmm) REVERT: UT 9 LYS cc_start: 0.9270 (tptm) cc_final: 0.8920 (tptp) REVERT: UU 9 LYS cc_start: 0.9079 (tppt) cc_final: 0.8835 (tppt) REVERT: UU 13 ASP cc_start: 0.8858 (m-30) cc_final: 0.8612 (m-30) REVERT: UW 1 MET cc_start: 0.6880 (ppp) cc_final: 0.6341 (ppp) REVERT: UX 1 MET cc_start: 0.8230 (tmm) cc_final: 0.6753 (tmm) REVERT: UY 1 MET cc_start: 0.5711 (ptp) cc_final: 0.5391 (pmm) REVERT: UY 12 LYS cc_start: 0.9445 (pttp) cc_final: 0.9222 (pptt) REVERT: UY 13 ASP cc_start: 0.9033 (m-30) cc_final: 0.8442 (m-30) REVERT: U0 8 PHE cc_start: 0.8353 (t80) cc_final: 0.7836 (t80) REVERT: U1 1 MET cc_start: 0.8140 (tmm) cc_final: 0.6557 (tmm) REVERT: U2 13 ASP cc_start: 0.9055 (m-30) cc_final: 0.8840 (m-30) REVERT: U4 1 MET cc_start: 0.6471 (ppp) cc_final: 0.5547 (ppp) REVERT: U9 1 MET cc_start: 0.8638 (tmm) cc_final: 0.7180 (tmm) REVERT: U9 9 LYS cc_start: 0.9271 (tptm) cc_final: 0.8959 (tppp) REVERT: VA 1 MET cc_start: 0.6610 (ptm) cc_final: 0.6136 (ptm) REVERT: VA 13 ASP cc_start: 0.9161 (m-30) cc_final: 0.8940 (m-30) REVERT: VC 1 MET cc_start: 0.4940 (ptp) cc_final: 0.4735 (ptt) REVERT: VD 1 MET cc_start: 0.8114 (tmm) cc_final: 0.7434 (tmm) REVERT: VE 1 MET cc_start: 0.5553 (ptm) cc_final: 0.4528 (ptp) REVERT: VG 1 MET cc_start: 0.6399 (ppp) cc_final: 0.5128 (ppp) REVERT: VH 1 MET cc_start: 0.8316 (tmm) cc_final: 0.7166 (tmm) REVERT: VK 1 MET cc_start: 0.6466 (ppp) cc_final: 0.6069 (ppp) REVERT: VL 1 MET cc_start: 0.8043 (tmm) cc_final: 0.7146 (tmm) REVERT: VL 9 LYS cc_start: 0.9426 (tmtt) cc_final: 0.9117 (tptp) REVERT: VM 17 LYS cc_start: 0.8812 (ttpt) cc_final: 0.8120 (mmmt) REVERT: VN 6 LYS cc_start: 0.9124 (tmmt) cc_final: 0.8915 (ttmt) REVERT: VQ 1 MET cc_start: 0.5855 (ptm) cc_final: 0.5106 (ptp) REVERT: VR 17 LYS cc_start: 0.8571 (mtpp) cc_final: 0.8285 (mmtm) REVERT: VT 10 PHE cc_start: 0.8557 (t80) cc_final: 0.8341 (t80) REVERT: VU 13 ASP cc_start: 0.8750 (m-30) cc_final: 0.8509 (m-30) outliers start: 0 outliers final: 0 residues processed: 4683 average time/residue: 1.3514 time to fit residues: 10822.9064 Evaluate side-chains 3654 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3654 time to evaluate : 13.310 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 546 optimal weight: 0.9990 chunk 1462 optimal weight: 0.7980 chunk 320 optimal weight: 6.9990 chunk 953 optimal weight: 6.9990 chunk 400 optimal weight: 6.9990 chunk 1625 optimal weight: 9.9990 chunk 1349 optimal weight: 1.9990 chunk 752 optimal weight: 7.9990 chunk 135 optimal weight: 3.9990 chunk 537 optimal weight: 4.9990 chunk 853 optimal weight: 8.9990 overall best weight: 2.5588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: d 21 ASN BB 21 ASN BE 21 ASN CT 21 ASN ** F5 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H2 21 ASN ** MT 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** MV 21 ASN TH 21 ASN Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8073 moved from start: 0.6096 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.041 151200 Z= 0.217 Angle : 0.561 10.867 198240 Z= 0.273 Chirality : 0.028 0.221 20160 Planarity : 0.002 0.021 23520 Dihedral : 4.335 17.854 16800 Min Nonbonded Distance : 2.163 Molprobity Statistics. All-atom Clashscore : 16.63 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.29 % Favored : 99.71 % Rotamer: Outliers : 0.00 % Allowed : 3.55 % Favored : 96.45 % 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: 1.53 (0.06), residues: 15960 helix: 1.61 (0.04), residues: 13695 sheet: None (None), residues: 0 loop : -2.67 (0.08), residues: 2265 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.048 0.002 PHEFB 11 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4757 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4757 time to evaluate : 13.421 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: B 1 MET cc_start: 0.8403 (tmm) cc_final: 0.7363 (tmm) REVERT: C 12 LYS cc_start: 0.9284 (tttm) cc_final: 0.8929 (ttmm) REVERT: E 1 MET cc_start: 0.7283 (ppp) cc_final: 0.6416 (ppp) REVERT: E 2 GLU cc_start: 0.8968 (tm-30) cc_final: 0.8685 (tm-30) REVERT: F 1 MET cc_start: 0.7412 (tmm) cc_final: 0.6769 (tmm) REVERT: G 1 MET cc_start: 0.6899 (ptm) cc_final: 0.6252 (ptt) REVERT: G 17 LYS cc_start: 0.9019 (ttmm) cc_final: 0.8435 (tmtt) REVERT: I 2 GLU cc_start: 0.9109 (tm-30) cc_final: 0.8837 (tp30) REVERT: J 1 MET cc_start: 0.7572 (tmm) cc_final: 0.7247 (tmm) REVERT: L 6 LYS cc_start: 0.8433 (tmmt) cc_final: 0.8157 (tmtt) REVERT: M 1 MET cc_start: 0.7693 (ppp) cc_final: 0.6208 (ppp) REVERT: N 1 MET cc_start: 0.7631 (tmm) cc_final: 0.7236 (tmm) REVERT: O 1 MET cc_start: 0.7459 (ptm) cc_final: 0.7196 (ptp) REVERT: Q 1 MET cc_start: 0.6394 (ppp) cc_final: 0.6076 (ppp) REVERT: R 1 MET cc_start: 0.8155 (tmm) cc_final: 0.6877 (tmm) REVERT: W 6 LYS cc_start: 0.9278 (ptpp) cc_final: 0.9056 (pttp) REVERT: 1 9 LYS cc_start: 0.8808 (tppt) cc_final: 0.8321 (tppt) REVERT: 1 13 ASP cc_start: 0.8477 (m-30) cc_final: 0.8059 (m-30) REVERT: 3 1 MET cc_start: 0.8049 (tmm) cc_final: 0.7609 (tmm) REVERT: 4 1 MET cc_start: 0.7392 (ptm) cc_final: 0.6570 (ptp) REVERT: 4 12 LYS cc_start: 0.9275 (pttm) cc_final: 0.8922 (pttm) REVERT: 5 1 MET cc_start: 0.8455 (tmm) cc_final: 0.7268 (tmm) REVERT: 5 13 ASP cc_start: 0.7907 (t0) cc_final: 0.7408 (t0) REVERT: 6 1 MET cc_start: 0.6852 (ppp) cc_final: 0.6537 (ppp) REVERT: 7 1 MET cc_start: 0.7516 (tmm) cc_final: 0.6823 (tmm) REVERT: 8 12 LYS cc_start: 0.9371 (pptt) cc_final: 0.9071 (pptt) REVERT: 9 12 LYS cc_start: 0.9035 (pttm) cc_final: 0.8795 (ttmm) REVERT: b 1 MET cc_start: 0.8376 (tmm) cc_final: 0.7817 (tmm) REVERT: c 12 LYS cc_start: 0.9285 (pttm) cc_final: 0.8965 (pttm) REVERT: e 9 LYS cc_start: 0.9359 (mmmt) cc_final: 0.9154 (mmtm) REVERT: f 1 MET cc_start: 0.8128 (tmm) cc_final: 0.6905 (tmm) REVERT: g 12 LYS cc_start: 0.9483 (tmtt) cc_final: 0.9188 (pttm) REVERT: i 1 MET cc_start: 0.6639 (ppp) cc_final: 0.6215 (ppp) REVERT: j 1 MET cc_start: 0.7438 (tmm) cc_final: 0.6485 (tmm) REVERT: n 1 MET cc_start: 0.7822 (tmm) cc_final: 0.7546 (tmm) REVERT: q 1 MET cc_start: 0.6693 (ppp) cc_final: 0.5937 (ptp) REVERT: r 9 LYS cc_start: 0.9016 (tmtt) cc_final: 0.8804 (tmtt) REVERT: s 12 LYS cc_start: 0.9145 (pttp) cc_final: 0.8902 (pttm) REVERT: v 1 MET cc_start: 0.8530 (tmm) cc_final: 0.7736 (tmm) REVERT: w 1 MET cc_start: 0.7743 (ptm) cc_final: 0.6820 (ptp) REVERT: y 1 MET cc_start: 0.6943 (ppp) cc_final: 0.6459 (ppp) REVERT: z 1 MET cc_start: 0.8354 (tmm) cc_final: 0.7200 (tmm) REVERT: AA 1 MET cc_start: 0.5345 (ptm) cc_final: 0.4388 (pmm) REVERT: AD 1 MET cc_start: 0.8376 (tmm) cc_final: 0.7723 (tmm) REVERT: AE 1 MET cc_start: 0.6436 (ptm) cc_final: 0.5814 (ptp) REVERT: AE 13 ASP cc_start: 0.8724 (m-30) cc_final: 0.8457 (m-30) REVERT: AG 1 MET cc_start: 0.7098 (ppp) cc_final: 0.6693 (ppp) REVERT: AI 1 MET cc_start: 0.6368 (ptp) cc_final: 0.6163 (ptp) REVERT: AK 1 MET cc_start: 0.7209 (ppp) cc_final: 0.6513 (ppp) REVERT: AL 1 MET cc_start: 0.8165 (tmm) cc_final: 0.7157 (tmm) REVERT: AO 1 MET cc_start: 0.7043 (ppp) cc_final: 0.6199 (ppp) REVERT: AO 8 PHE cc_start: 0.8341 (t80) cc_final: 0.7924 (t80) REVERT: AP 1 MET cc_start: 0.7953 (tmm) cc_final: 0.7110 (tmm) REVERT: AQ 12 LYS cc_start: 0.9257 (tttm) cc_final: 0.8908 (tptp) REVERT: AQ 13 ASP cc_start: 0.8804 (t0) cc_final: 0.8581 (t0) REVERT: AT 1 MET cc_start: 0.7577 (tmm) cc_final: 0.6762 (tmm) REVERT: AU 13 ASP cc_start: 0.8890 (m-30) cc_final: 0.8659 (m-30) REVERT: AW 1 MET cc_start: 0.6783 (ppp) cc_final: 0.5799 (ppp) REVERT: AX 1 MET cc_start: 0.7973 (tmm) cc_final: 0.7500 (tmm) REVERT: AY 1 MET cc_start: 0.6404 (ptm) cc_final: 0.5739 (ptp) REVERT: AY 9 LYS cc_start: 0.8990 (ttmm) cc_final: 0.8652 (mtmm) REVERT: A1 1 MET cc_start: 0.7789 (tmm) cc_final: 0.7549 (ttt) REVERT: A2 13 ASP cc_start: 0.9021 (m-30) cc_final: 0.8808 (m-30) REVERT: A4 1 MET cc_start: 0.6126 (ppp) cc_final: 0.5108 (ppp) REVERT: A5 1 MET cc_start: 0.8066 (tmm) cc_final: 0.6839 (tmm) REVERT: A6 3 PHE cc_start: 0.7751 (t80) cc_final: 0.7237 (t80) REVERT: A9 1 MET cc_start: 0.8148 (tmm) cc_final: 0.7762 (tmm) REVERT: BA 1 MET cc_start: 0.6413 (ptm) cc_final: 0.4935 (pmm) REVERT: BB 2 GLU cc_start: 0.7769 (tp30) cc_final: 0.7380 (mp0) REVERT: BB 6 LYS cc_start: 0.9086 (tmmt) cc_final: 0.8850 (ttpp) REVERT: BE 1 MET cc_start: 0.5655 (ptm) cc_final: 0.4650 (ptp) REVERT: BH 1 MET cc_start: 0.8223 (tmm) cc_final: 0.7352 (tmm) REVERT: BI 12 LYS cc_start: 0.9405 (pptt) cc_final: 0.9172 (pptt) REVERT: BK 2 GLU cc_start: 0.7973 (tm-30) cc_final: 0.7717 (mp0) REVERT: BK 8 PHE cc_start: 0.8900 (t80) cc_final: 0.8244 (t80) REVERT: BL 1 MET cc_start: 0.7983 (tmm) cc_final: 0.6864 (tmm) REVERT: BL 4 VAL cc_start: 0.9091 (p) cc_final: 0.8867 (p) REVERT: BL 9 LYS cc_start: 0.9433 (tmtt) cc_final: 0.9155 (tptp) REVERT: BO 1 MET cc_start: 0.6985 (ppp) cc_final: 0.6741 (ppp) REVERT: BQ 1 MET cc_start: 0.6227 (ptm) cc_final: 0.5964 (ptm) REVERT: BQ 2 GLU cc_start: 0.7966 (pp20) cc_final: 0.7645 (pp20) REVERT: BR 12 LYS cc_start: 0.6843 (tptt) cc_final: 0.6094 (mptt) REVERT: BU 1 MET cc_start: 0.5373 (ptm) cc_final: 0.4331 (ptp) REVERT: BW 1 MET cc_start: 0.7493 (ppp) cc_final: 0.6730 (ppp) REVERT: BX 1 MET cc_start: 0.7116 (tmm) cc_final: 0.6125 (tmm) REVERT: BX 10 PHE cc_start: 0.8012 (t80) cc_final: 0.7532 (m-10) REVERT: BY 1 MET cc_start: 0.7127 (ptm) cc_final: 0.6436 (ptt) REVERT: BY 17 LYS cc_start: 0.8851 (ttmm) cc_final: 0.8393 (tmtt) REVERT: BZ 6 LYS cc_start: 0.6341 (tmtt) cc_final: 0.5514 (tttt) REVERT: BZ 9 LYS cc_start: 0.9266 (tptp) cc_final: 0.8550 (tptp) REVERT: B1 1 MET cc_start: 0.7754 (tmm) cc_final: 0.7539 (tmm) REVERT: B1 14 LEU cc_start: 0.8613 (mm) cc_final: 0.8254 (tp) REVERT: B2 7 LEU cc_start: 0.8888 (tt) cc_final: 0.8687 (tp) REVERT: B2 12 LYS cc_start: 0.9432 (pttm) cc_final: 0.9210 (pptt) REVERT: B4 1 MET cc_start: 0.7508 (ppp) cc_final: 0.6459 (ppp) REVERT: B5 1 MET cc_start: 0.7417 (tmm) cc_final: 0.7152 (tmm) REVERT: B6 12 LYS cc_start: 0.9487 (pptt) cc_final: 0.9097 (pptt) REVERT: B9 1 MET cc_start: 0.8126 (tmm) cc_final: 0.6974 (tmm) REVERT: CD 1 MET cc_start: 0.7915 (tmm) cc_final: 0.6638 (tmm) REVERT: CG 1 MET cc_start: 0.7136 (ppp) cc_final: 0.6292 (ppp) REVERT: CH 1 MET cc_start: 0.6792 (ttp) cc_final: 0.5410 (tmm) REVERT: CM 12 LYS cc_start: 0.9229 (pttp) cc_final: 0.8905 (pttp) REVERT: CP 1 MET cc_start: 0.7665 (tmm) cc_final: 0.7436 (tmm) REVERT: CQ 1 MET cc_start: 0.7371 (ptm) cc_final: 0.7006 (ptp) REVERT: CS 1 MET cc_start: 0.7634 (ppp) cc_final: 0.6924 (ppp) REVERT: CS 9 LYS cc_start: 0.9677 (mtpt) cc_final: 0.9343 (ttmm) REVERT: CT 1 MET cc_start: 0.8265 (tmm) cc_final: 0.7709 (tmm) REVERT: CT 21 ASN cc_start: 0.5993 (m-40) cc_final: 0.5605 (m110) REVERT: CY 13 ASP cc_start: 0.9112 (m-30) cc_final: 0.8791 (m-30) REVERT: C1 1 MET cc_start: 0.7623 (tmm) cc_final: 0.6588 (tmm) REVERT: C3 17 LYS cc_start: 0.8624 (tttm) cc_final: 0.8281 (pttp) REVERT: C4 1 MET cc_start: 0.6460 (ppp) cc_final: 0.5310 (ppp) REVERT: C6 13 ASP cc_start: 0.9087 (m-30) cc_final: 0.8782 (m-30) REVERT: C8 1 MET cc_start: 0.6867 (ppp) cc_final: 0.6437 (ppp) REVERT: C9 1 MET cc_start: 0.8387 (tmm) cc_final: 0.7795 (tmm) REVERT: DA 13 ASP cc_start: 0.8876 (m-30) cc_final: 0.8674 (m-30) REVERT: DB 1 MET cc_start: 0.8127 (tmm) cc_final: 0.7866 (tmm) REVERT: DD 1 MET cc_start: 0.8310 (tmm) cc_final: 0.7184 (tmm) REVERT: DE 1 MET cc_start: 0.6648 (ptm) cc_final: 0.6058 (ptt) REVERT: DE 12 LYS cc_start: 0.9355 (tttm) cc_final: 0.8966 (ttmm) REVERT: DH 1 MET cc_start: 0.8805 (tmm) cc_final: 0.8137 (tmm) REVERT: DI 1 MET cc_start: 0.8189 (ptm) cc_final: 0.6718 (ptp) REVERT: DL 1 MET cc_start: 0.8462 (tmm) cc_final: 0.6753 (tmm) REVERT: DM 1 MET cc_start: 0.5125 (ptm) cc_final: 0.4125 (pmm) REVERT: DP 1 MET cc_start: 0.8473 (tmm) cc_final: 0.7730 (tmm) REVERT: DS 1 MET cc_start: 0.7012 (ppp) cc_final: 0.6630 (ppp) REVERT: DU 11 PHE cc_start: 0.7946 (m-10) cc_final: 0.7718 (m-10) REVERT: DX 1 MET cc_start: 0.8169 (tmm) cc_final: 0.7240 (tmm) REVERT: DY 1 MET cc_start: 0.7030 (ptp) cc_final: 0.6461 (ptp) REVERT: D0 8 PHE cc_start: 0.8333 (t80) cc_final: 0.7686 (t80) REVERT: D2 12 LYS cc_start: 0.9249 (tttm) cc_final: 0.8834 (tptp) REVERT: D4 1 MET cc_start: 0.7980 (ppp) cc_final: 0.7566 (ppp) REVERT: D5 1 MET cc_start: 0.7837 (tmm) cc_final: 0.6940 (tmm) REVERT: D5 9 LYS cc_start: 0.9259 (tmtt) cc_final: 0.8959 (tptp) REVERT: D6 1 MET cc_start: 0.7205 (ptm) cc_final: 0.6654 (ptm) REVERT: EB 12 LYS cc_start: 0.8996 (mmtp) cc_final: 0.8669 (tptt) REVERT: EC 8 PHE cc_start: 0.8118 (t80) cc_final: 0.7357 (t80) REVERT: ED 1 MET cc_start: 0.7770 (tmm) cc_final: 0.6984 (tmm) REVERT: ED 9 LYS cc_start: 0.9200 (tptp) cc_final: 0.8981 (tttt) REVERT: EE 13 ASP cc_start: 0.9093 (m-30) cc_final: 0.8876 (m-30) REVERT: EG 1 MET cc_start: 0.6346 (ppp) cc_final: 0.5485 (ppp) REVERT: EH 1 MET cc_start: 0.8324 (tmm) cc_final: 0.7455 (tmm) REVERT: EJ 12 LYS cc_start: 0.9293 (pptt) cc_final: 0.9037 (tmmt) REVERT: EM 1 MET cc_start: 0.6713 (ptm) cc_final: 0.5744 (ptp) REVERT: EM 12 LYS cc_start: 0.9228 (pttp) cc_final: 0.8944 (pptt) REVERT: EM 13 ASP cc_start: 0.9241 (m-30) cc_final: 0.8782 (m-30) REVERT: EO 9 LYS cc_start: 0.9342 (mmmt) cc_final: 0.9100 (mmmt) REVERT: EP 1 MET cc_start: 0.8334 (tmm) cc_final: 0.7675 (tmm) REVERT: EQ 1 MET cc_start: 0.5675 (ptm) cc_final: 0.5361 (ptm) REVERT: ES 1 MET cc_start: 0.6260 (ppp) cc_final: 0.4901 (ppp) REVERT: ET 1 MET cc_start: 0.8222 (tmm) cc_final: 0.7615 (tmm) REVERT: EY 1 MET cc_start: 0.7628 (ptm) cc_final: 0.6497 (ptp) REVERT: E1 9 LYS cc_start: 0.9066 (tmtt) cc_final: 0.8649 (ttmm) REVERT: E2 1 MET cc_start: 0.5493 (ptm) cc_final: 0.4835 (ptp) REVERT: E2 6 LYS cc_start: 0.9401 (ptmm) cc_final: 0.9146 (ptmm) REVERT: E3 1 MET cc_start: 0.6633 (tmm) cc_final: 0.5824 (tmm) REVERT: E5 14 LEU cc_start: 0.8870 (tp) cc_final: 0.8624 (tt) REVERT: E6 1 MET cc_start: 0.5627 (ptm) cc_final: 0.4667 (ptp) REVERT: E8 1 MET cc_start: 0.7650 (ppp) cc_final: 0.6625 (ppp) REVERT: E8 2 GLU cc_start: 0.8900 (tm-30) cc_final: 0.8629 (tm-30) REVERT: E9 1 MET cc_start: 0.7506 (tmm) cc_final: 0.6555 (tmm) REVERT: FA 1 MET cc_start: 0.6688 (ptm) cc_final: 0.6103 (ptt) REVERT: FA 13 ASP cc_start: 0.9057 (m-30) cc_final: 0.8806 (m-30) REVERT: FC 1 MET cc_start: 0.7233 (ppp) cc_final: 0.6314 (ppp) REVERT: FD 10 PHE cc_start: 0.8382 (t80) cc_final: 0.7315 (m-10) REVERT: FE 11 PHE cc_start: 0.7900 (m-80) cc_final: 0.7560 (m-80) REVERT: FG 1 MET cc_start: 0.7577 (ppp) cc_final: 0.6510 (ppp) REVERT: FH 1 MET cc_start: 0.7843 (tmm) cc_final: 0.7181 (tmm) REVERT: FI 1 MET cc_start: 0.6904 (ptm) cc_final: 0.6535 (ptt) REVERT: FL 1 MET cc_start: 0.8296 (tmm) cc_final: 0.7211 (tmm) REVERT: FO 8 PHE cc_start: 0.8540 (t80) cc_final: 0.8102 (t80) REVERT: FP 10 PHE cc_start: 0.8778 (t80) cc_final: 0.8556 (t80) REVERT: FS 1 MET cc_start: 0.7199 (ppp) cc_final: 0.6423 (ppp) REVERT: FT 1 MET cc_start: 0.6991 (ttp) cc_final: 0.5921 (tmm) REVERT: FU 1 MET cc_start: 0.7064 (ptp) cc_final: 0.6389 (ptt) REVERT: FV 9 LYS cc_start: 0.8860 (tppt) cc_final: 0.8312 (tppt) REVERT: FV 13 ASP cc_start: 0.8545 (m-30) cc_final: 0.8071 (m-30) REVERT: FX 1 MET cc_start: 0.7678 (tmm) cc_final: 0.6594 (tmm) REVERT: FY 1 MET cc_start: 0.7645 (ptm) cc_final: 0.6919 (ptp) REVERT: F2 1 MET cc_start: 0.7137 (ptm) cc_final: 0.6701 (ptt) REVERT: F2 6 LYS cc_start: 0.9425 (mmmt) cc_final: 0.9032 (mmmt) REVERT: F2 12 LYS cc_start: 0.9054 (tmmt) cc_final: 0.8596 (pttp) REVERT: F3 1 MET cc_start: 0.7787 (pmm) cc_final: 0.7181 (pmm) REVERT: F3 2 GLU cc_start: 0.8080 (tp30) cc_final: 0.7712 (tp30) REVERT: F5 1 MET cc_start: 0.8414 (tmm) cc_final: 0.7987 (tmm) REVERT: F8 1 MET cc_start: 0.7169 (ppp) cc_final: 0.6513 (ppp) REVERT: GA 1 MET cc_start: 0.7562 (ptp) cc_final: 0.7274 (ptt) REVERT: GA 13 ASP cc_start: 0.8982 (m-30) cc_final: 0.8745 (m-30) REVERT: GB 17 LYS cc_start: 0.9123 (mmmm) cc_final: 0.8551 (mmtm) REVERT: GC 1 MET cc_start: 0.6698 (ppp) cc_final: 0.5625 (ppp) REVERT: GD 1 MET cc_start: 0.7778 (tmm) cc_final: 0.6713 (tmm) REVERT: GE 1 MET cc_start: 0.8289 (ptm) cc_final: 0.7890 (ptt) REVERT: GF 2 GLU cc_start: 0.8572 (tp30) cc_final: 0.8312 (mp0) REVERT: GH 1 MET cc_start: 0.7618 (tmm) cc_final: 0.7258 (tmm) REVERT: GI 9 LYS cc_start: 0.9166 (ttmm) cc_final: 0.8883 (mtmm) REVERT: GI 13 ASP cc_start: 0.8731 (m-30) cc_final: 0.8380 (m-30) REVERT: GJ 12 LYS cc_start: 0.9259 (tmtt) cc_final: 0.9024 (tptp) REVERT: GK 1 MET cc_start: 0.6669 (ppp) cc_final: 0.6042 (ppp) REVERT: GL 1 MET cc_start: 0.7880 (tmm) cc_final: 0.7137 (tmm) REVERT: GL 9 LYS cc_start: 0.9182 (tmtt) cc_final: 0.8805 (tptp) REVERT: GM 12 LYS cc_start: 0.9138 (pttp) cc_final: 0.8687 (pttm) REVERT: GO 9 LYS cc_start: 0.9268 (mptt) cc_final: 0.9005 (mmtm) REVERT: GQ 1 MET cc_start: 0.6704 (ptm) cc_final: 0.5861 (ptt) REVERT: GQ 12 LYS cc_start: 0.9259 (tttm) cc_final: 0.8983 (ttmm) REVERT: GR 2 GLU cc_start: 0.8341 (tp30) cc_final: 0.7989 (tp30) REVERT: GT 1 MET cc_start: 0.8678 (tmm) cc_final: 0.7772 (tmm) REVERT: GU 1 MET cc_start: 0.8019 (ptm) cc_final: 0.7544 (ptp) REVERT: GX 1 MET cc_start: 0.8425 (tmm) cc_final: 0.7260 (tmm) REVERT: G0 1 MET cc_start: 0.7207 (ppp) cc_final: 0.6612 (ppp) REVERT: G1 1 MET cc_start: 0.8373 (tmm) cc_final: 0.7825 (tmm) REVERT: G2 1 MET cc_start: 0.6762 (ptm) cc_final: 0.5942 (ptp) REVERT: G2 12 LYS cc_start: 0.9345 (tmtt) cc_final: 0.9129 (tptt) REVERT: G3 1 MET cc_start: 0.7951 (tmm) cc_final: 0.7060 (tmm) REVERT: G4 1 MET cc_start: 0.7011 (ppp) cc_final: 0.6495 (ppp) REVERT: G5 1 MET cc_start: 0.7668 (tmm) cc_final: 0.7006 (tmm) REVERT: G6 12 LYS cc_start: 0.9485 (tmtt) cc_final: 0.9278 (tptp) REVERT: G9 1 MET cc_start: 0.8231 (tmm) cc_final: 0.7056 (tmm) REVERT: HA 13 ASP cc_start: 0.8680 (m-30) cc_final: 0.8471 (m-30) REVERT: HD 1 MET cc_start: 0.7682 (tmm) cc_final: 0.6547 (tmm) REVERT: HG 1 MET cc_start: 0.7641 (ppp) cc_final: 0.7361 (ppp) REVERT: HH 9 LYS cc_start: 0.9323 (tptm) cc_final: 0.8952 (tptp) REVERT: HI 1 MET cc_start: 0.6838 (ptm) cc_final: 0.6435 (ptm) REVERT: HI 13 ASP cc_start: 0.8871 (m-30) cc_final: 0.8609 (m-30) REVERT: HL 1 MET cc_start: 0.8501 (tmm) cc_final: 0.7311 (tmm) REVERT: HM 9 LYS cc_start: 0.9122 (ttmm) cc_final: 0.8446 (mtmm) REVERT: HM 12 LYS cc_start: 0.9405 (pttp) cc_final: 0.9148 (pptt) REVERT: HM 13 ASP cc_start: 0.9070 (m-30) cc_final: 0.8467 (m-30) REVERT: HP 9 LYS cc_start: 0.9380 (tmtt) cc_final: 0.9086 (tptp) REVERT: HT 1 MET cc_start: 0.8460 (tmm) cc_final: 0.7439 (tmm) REVERT: HW 1 MET cc_start: 0.6833 (ppp) cc_final: 0.6406 (ppp) REVERT: HW 8 PHE cc_start: 0.8387 (t80) cc_final: 0.7973 (t80) REVERT: HX 1 MET cc_start: 0.8115 (ttp) cc_final: 0.7624 (tmm) REVERT: HY 1 MET cc_start: 0.6820 (ptm) cc_final: 0.6121 (ptp) REVERT: HY 13 ASP cc_start: 0.9006 (m-30) cc_final: 0.8775 (m-30) REVERT: H1 1 MET cc_start: 0.7892 (tmm) cc_final: 0.7314 (tmm) REVERT: H1 10 PHE cc_start: 0.8838 (t80) cc_final: 0.8592 (t80) REVERT: H2 1 MET cc_start: 0.5863 (ptm) cc_final: 0.4837 (ptp) REVERT: H5 1 MET cc_start: 0.8027 (tmm) cc_final: 0.7269 (tmm) REVERT: H7 1 MET cc_start: 0.6649 (pmm) cc_final: 0.6407 (pmm) REVERT: H8 2 GLU cc_start: 0.8114 (tm-30) cc_final: 0.7436 (mp0) REVERT: H8 8 PHE cc_start: 0.8780 (t80) cc_final: 0.8520 (t80) REVERT: H9 4 VAL cc_start: 0.8890 (t) cc_final: 0.8588 (p) REVERT: H9 9 LYS cc_start: 0.9439 (tmtt) cc_final: 0.9198 (tptp) REVERT: IA 1 MET cc_start: 0.7603 (ptm) cc_final: 0.6640 (ptp) REVERT: IA 17 LYS cc_start: 0.8503 (ttpt) cc_final: 0.7481 (mmmt) REVERT: IC 1 MET cc_start: 0.6880 (ppp) cc_final: 0.6634 (ppp) REVERT: ID 1 MET cc_start: 0.6597 (tmm) cc_final: 0.6224 (tmm) REVERT: ID 4 VAL cc_start: 0.8776 (p) cc_final: 0.8508 (t) REVERT: IE 1 MET cc_start: 0.5721 (ptm) cc_final: 0.5340 (ptp) REVERT: II 1 MET cc_start: 0.5370 (ptm) cc_final: 0.4469 (ptp) REVERT: IL 1 MET cc_start: 0.7187 (tmm) cc_final: 0.5790 (tmm) REVERT: IM 17 LYS cc_start: 0.8902 (ttmm) cc_final: 0.8463 (tmtt) REVERT: IR 6 LYS cc_start: 0.8266 (tmmt) cc_final: 0.8052 (tmtt) REVERT: IS 1 MET cc_start: 0.7507 (ppp) cc_final: 0.6336 (ppp) REVERT: IT 1 MET cc_start: 0.7390 (tmm) cc_final: 0.7145 (tmm) REVERT: IU 1 MET cc_start: 0.7123 (ptm) cc_final: 0.6676 (ptt) REVERT: IV 6 LYS cc_start: 0.9333 (tppt) cc_final: 0.9014 (mmmt) REVERT: IX 1 MET cc_start: 0.7837 (tmm) cc_final: 0.6661 (tmm) REVERT: IY 12 LYS cc_start: 0.9303 (pptt) cc_final: 0.9007 (pttm) REVERT: I0 1 MET cc_start: 0.6965 (ppp) cc_final: 0.6588 (pmm) REVERT: I0 9 LYS cc_start: 0.9663 (mtpt) cc_final: 0.9082 (mmmm) REVERT: I1 1 MET cc_start: 0.8137 (tmm) cc_final: 0.7809 (tmm) REVERT: I1 4 VAL cc_start: 0.9334 (t) cc_final: 0.9037 (t) REVERT: I4 1 MET cc_start: 0.7035 (ppp) cc_final: 0.6119 (ppp) REVERT: I5 1 MET cc_start: 0.7070 (ttp) cc_final: 0.5870 (tmm) REVERT: I9 1 MET cc_start: 0.7576 (tmm) cc_final: 0.7251 (tmm) REVERT: I9 9 LYS cc_start: 0.8899 (tmtt) cc_final: 0.8585 (mmtp) REVERT: JA 1 MET cc_start: 0.7778 (ptm) cc_final: 0.6646 (ptp) REVERT: JC 1 MET cc_start: 0.6950 (ppp) cc_final: 0.6625 (ppp) REVERT: JD 1 MET cc_start: 0.7344 (ttp) cc_final: 0.6936 (tmm) REVERT: JE 6 LYS cc_start: 0.9410 (mmmt) cc_final: 0.9182 (mmmm) REVERT: JH 1 MET cc_start: 0.8482 (tmm) cc_final: 0.7941 (tmm) REVERT: JI 1 MET cc_start: 0.7984 (ptm) cc_final: 0.6918 (pmm) REVERT: JJ 9 LYS cc_start: 0.9399 (tptp) cc_final: 0.8976 (tptp) REVERT: JK 1 MET cc_start: 0.6842 (ppp) cc_final: 0.6172 (ppp) REVERT: JM 1 MET cc_start: 0.7971 (ptm) cc_final: 0.7353 (ptt) REVERT: JM 13 ASP cc_start: 0.9162 (m-30) cc_final: 0.8929 (m-30) REVERT: JP 1 MET cc_start: 0.7978 (tmm) cc_final: 0.6915 (tmm) REVERT: JS 1 MET cc_start: 0.6736 (ppp) cc_final: 0.5720 (ppp) REVERT: JT 1 MET cc_start: 0.8026 (tmm) cc_final: 0.7683 (tmm) REVERT: JV 9 LYS cc_start: 0.8994 (tptp) cc_final: 0.8703 (tptp) REVERT: JW 1 MET cc_start: 0.6470 (ppp) cc_final: 0.5941 (ppp) REVERT: JX 1 MET cc_start: 0.8407 (tmm) cc_final: 0.7417 (tmm) REVERT: JY 12 LYS cc_start: 0.9193 (tttm) cc_final: 0.8920 (pttm) REVERT: JZ 1 MET cc_start: 0.8111 (tmm) cc_final: 0.7682 (tmm) REVERT: J1 1 MET cc_start: 0.8265 (tmm) cc_final: 0.7101 (tmm) REVERT: J2 1 MET cc_start: 0.6609 (ptm) cc_final: 0.6139 (ptt) REVERT: J5 1 MET cc_start: 0.8506 (tmm) cc_final: 0.7660 (tmm) REVERT: J6 1 MET cc_start: 0.7289 (ptp) cc_final: 0.7078 (ptp) REVERT: J6 13 ASP cc_start: 0.8700 (m-30) cc_final: 0.8495 (m-30) REVERT: J7 1 MET cc_start: 0.7712 (tmm) cc_final: 0.6997 (tmm) REVERT: J9 1 MET cc_start: 0.8248 (tmm) cc_final: 0.6721 (tmm) REVERT: KC 1 MET cc_start: 0.7279 (ppp) cc_final: 0.6528 (ppp) REVERT: KD 1 MET cc_start: 0.8023 (tmm) cc_final: 0.7632 (tmm) REVERT: KE 1 MET cc_start: 0.6794 (ptm) cc_final: 0.6263 (ptp) REVERT: KH 1 MET cc_start: 0.7533 (tmm) cc_final: 0.6192 (tmm) REVERT: KK 1 MET cc_start: 0.7550 (ppp) cc_final: 0.6575 (ppp) REVERT: KL 1 MET cc_start: 0.8274 (tmm) cc_final: 0.7709 (tmm) REVERT: KN 1 MET cc_start: 0.7549 (tmm) cc_final: 0.7265 (tmm) REVERT: KO 8 PHE cc_start: 0.8198 (t80) cc_final: 0.7948 (t80) REVERT: KP 1 MET cc_start: 0.7783 (tmm) cc_final: 0.7081 (tmm) REVERT: KQ 12 LYS cc_start: 0.9352 (tttm) cc_final: 0.8866 (tptp) REVERT: KS 1 MET cc_start: 0.7692 (ppp) cc_final: 0.7436 (ppp) REVERT: KT 1 MET cc_start: 0.7738 (tmm) cc_final: 0.6630 (tmm) REVERT: KV 6 LYS cc_start: 0.8662 (ttpt) cc_final: 0.8347 (ttpt) REVERT: KW 1 MET cc_start: 0.6928 (ppp) cc_final: 0.5536 (ppp) REVERT: KX 9 LYS cc_start: 0.8958 (mtmt) cc_final: 0.8574 (mtmt) REVERT: KX 10 PHE cc_start: 0.8904 (t80) cc_final: 0.8648 (t80) REVERT: K0 1 MET cc_start: 0.6947 (ptp) cc_final: 0.6644 (ptt) REVERT: K2 6 LYS cc_start: 0.9340 (mtpp) cc_final: 0.8916 (ttmm) REVERT: K3 12 LYS cc_start: 0.8600 (tptp) cc_final: 0.8396 (tppt) REVERT: K4 1 MET cc_start: 0.6127 (ppp) cc_final: 0.5281 (ppp) REVERT: K5 1 MET cc_start: 0.7751 (tmm) cc_final: 0.6780 (tmm) REVERT: K7 13 ASP cc_start: 0.7909 (p0) cc_final: 0.7563 (p0) REVERT: K9 1 MET cc_start: 0.8379 (tmm) cc_final: 0.7954 (tmm) REVERT: LA 1 MET cc_start: 0.7140 (ptm) cc_final: 0.6097 (ptp) REVERT: LA 13 ASP cc_start: 0.9108 (m-30) cc_final: 0.8904 (m-30) REVERT: LD 1 MET cc_start: 0.8146 (tmm) cc_final: 0.7370 (tmm) REVERT: LE 1 MET cc_start: 0.5482 (ptm) cc_final: 0.4720 (ptp) REVERT: LG 1 MET cc_start: 0.5764 (ppp) cc_final: 0.4456 (ppp) REVERT: LH 1 MET cc_start: 0.8191 (tmm) cc_final: 0.7425 (tmm) REVERT: LK 2 GLU cc_start: 0.8133 (tm-30) cc_final: 0.7579 (mp0) REVERT: LL 9 LYS cc_start: 0.9403 (tmtt) cc_final: 0.9097 (tptp) REVERT: LM 1 MET cc_start: 0.7722 (ptm) cc_final: 0.6823 (ptp) REVERT: LQ 1 MET cc_start: 0.5934 (ptm) cc_final: 0.4819 (ptp) REVERT: LR 1 MET cc_start: 0.6953 (pmm) cc_final: 0.6088 (pmm) REVERT: LR 17 LYS cc_start: 0.8734 (mtpp) cc_final: 0.8292 (mmtm) REVERT: LT 4 VAL cc_start: 0.8945 (t) cc_final: 0.8712 (t) REVERT: LT 9 LYS cc_start: 0.9280 (tmtt) cc_final: 0.9054 (tptp) REVERT: LU 1 MET cc_start: 0.5472 (ptm) cc_final: 0.4685 (ptp) REVERT: LV 6 LYS cc_start: 0.8897 (pttt) cc_final: 0.8426 (mtmt) REVERT: LX 1 MET cc_start: 0.7469 (tmm) cc_final: 0.6743 (tmm) REVERT: LY 1 MET cc_start: 0.7105 (ptm) cc_final: 0.6199 (ptt) REVERT: LY 9 LYS cc_start: 0.7574 (tptp) cc_final: 0.6179 (tppt) REVERT: LY 17 LYS cc_start: 0.8961 (ttmm) cc_final: 0.8352 (tmtt) REVERT: L1 1 MET cc_start: 0.7550 (tmm) cc_final: 0.7250 (tmm) REVERT: L1 10 PHE cc_start: 0.8599 (t80) cc_final: 0.8151 (t80) REVERT: L2 13 ASP cc_start: 0.8823 (m-30) cc_final: 0.8574 (m-30) REVERT: L4 1 MET cc_start: 0.7385 (ppp) cc_final: 0.6325 (ppp) REVERT: L5 1 MET cc_start: 0.7240 (tmm) cc_final: 0.6400 (tmm) REVERT: L6 12 LYS cc_start: 0.9411 (pptt) cc_final: 0.9178 (pptt) REVERT: L7 6 LYS cc_start: 0.9298 (tppt) cc_final: 0.8935 (mmmt) REVERT: MC 9 LYS cc_start: 0.9628 (mtpt) cc_final: 0.9240 (mmmt) REVERT: MG 1 MET cc_start: 0.7013 (ppp) cc_final: 0.6062 (ppp) REVERT: MH 1 MET cc_start: 0.7238 (tmm) cc_final: 0.6469 (tmm) REVERT: MJ 1 MET cc_start: 0.8086 (pmm) cc_final: 0.7705 (pmm) REVERT: MJ 9 LYS cc_start: 0.8767 (tptp) cc_final: 0.8299 (tppt) REVERT: MJ 13 ASP cc_start: 0.8499 (m-30) cc_final: 0.7963 (m-30) REVERT: ML 1 MET cc_start: 0.7941 (tmm) cc_final: 0.7624 (tmm) REVERT: MM 1 MET cc_start: 0.7740 (ptm) cc_final: 0.7114 (ptp) REVERT: MM 12 LYS cc_start: 0.9257 (pttm) cc_final: 0.8864 (pttp) REVERT: MN 17 LYS cc_start: 0.8404 (pptt) cc_final: 0.7910 (pptt) REVERT: MP 3 PHE cc_start: 0.8212 (m-10) cc_final: 0.7976 (m-10) REVERT: MQ 1 MET cc_start: 0.7589 (ptm) cc_final: 0.6850 (ptp) REVERT: MT 1 MET cc_start: 0.8523 (tmm) cc_final: 0.7800 (tmm) REVERT: MV 1 MET cc_start: 0.6821 (tmm) cc_final: 0.6503 (tmm) REVERT: MV 13 ASP cc_start: 0.8227 (m-30) cc_final: 0.7908 (m-30) REVERT: MV 14 LEU cc_start: 0.7836 (tt) cc_final: 0.7443 (tt) REVERT: MW 1 MET cc_start: 0.6778 (ppp) cc_final: 0.6306 (ppp) REVERT: M0 1 MET cc_start: 0.6931 (ppp) cc_final: 0.5864 (ppp) REVERT: M1 1 MET cc_start: 0.7906 (tmm) cc_final: 0.7600 (tmm) REVERT: M1 9 LYS cc_start: 0.9386 (tmtt) cc_final: 0.9138 (tptp) REVERT: M2 11 PHE cc_start: 0.7339 (m-10) cc_final: 0.7124 (m-10) REVERT: M2 18 PHE cc_start: 0.8309 (t80) cc_final: 0.8007 (t80) REVERT: M4 1 MET cc_start: 0.6227 (ppp) cc_final: 0.5709 (ppp) REVERT: M5 1 MET cc_start: 0.7811 (tmm) cc_final: 0.7263 (tmm) REVERT: M6 13 ASP cc_start: 0.8840 (m-30) cc_final: 0.8591 (m-30) REVERT: M8 1 MET cc_start: 0.6734 (ppp) cc_final: 0.6036 (ppp) REVERT: M9 1 MET cc_start: 0.8496 (tmm) cc_final: 0.7949 (tmm) REVERT: NB 1 MET cc_start: 0.8236 (tmm) cc_final: 0.7934 (tmm) REVERT: NE 12 LYS cc_start: 0.9245 (tttm) cc_final: 0.9040 (ttmm) REVERT: NF 1 MET cc_start: 0.8084 (pmm) cc_final: 0.7130 (pmm) REVERT: NG 1 MET cc_start: 0.7042 (ppp) cc_final: 0.5582 (ppp) REVERT: NH 1 MET cc_start: 0.8771 (tmm) cc_final: 0.7872 (tmm) REVERT: NI 1 MET cc_start: 0.7941 (ptm) cc_final: 0.6661 (ptp) REVERT: NL 1 MET cc_start: 0.8438 (tmm) cc_final: 0.7049 (tmm) REVERT: NN 2 GLU cc_start: 0.8020 (tp30) cc_final: 0.7757 (tp30) REVERT: NO 1 MET cc_start: 0.6948 (ppp) cc_final: 0.6262 (ppp) REVERT: NP 1 MET cc_start: 0.8225 (tmm) cc_final: 0.7557 (tmm) REVERT: NS 1 MET cc_start: 0.7072 (ppp) cc_final: 0.6523 (ppp) REVERT: NU 1 MET cc_start: 0.6612 (ptm) cc_final: 0.6063 (ptt) REVERT: NY 1 MET cc_start: 0.7273 (ptm) cc_final: 0.6295 (ptp) REVERT: N0 1 MET cc_start: 0.7153 (ppp) cc_final: 0.6275 (ppp) REVERT: N2 11 PHE cc_start: 0.7742 (m-10) cc_final: 0.7531 (m-80) REVERT: N2 12 LYS cc_start: 0.9216 (tttm) cc_final: 0.8814 (tptp) REVERT: N5 1 MET cc_start: 0.7964 (tmm) cc_final: 0.7090 (tmm) REVERT: N6 1 MET cc_start: 0.6743 (ptm) cc_final: 0.6345 (ptm) REVERT: N6 13 ASP cc_start: 0.8884 (m-30) cc_final: 0.8542 (m-30) REVERT: N9 1 MET cc_start: 0.8482 (tmm) cc_final: 0.7116 (tmm) REVERT: OD 1 MET cc_start: 0.8279 (tmm) cc_final: 0.7059 (tmm) REVERT: OE 6 LYS cc_start: 0.9395 (mtpp) cc_final: 0.8909 (ttmm) REVERT: OG 1 MET cc_start: 0.6351 (ppp) cc_final: 0.5635 (ppp) REVERT: OH 1 MET cc_start: 0.8288 (tmm) cc_final: 0.7208 (tmm) REVERT: OK 1 MET cc_start: 0.7159 (ppp) cc_final: 0.6052 (ppp) REVERT: OM 1 MET cc_start: 0.7451 (ptm) cc_final: 0.6462 (ptp) REVERT: OM 6 LYS cc_start: 0.9386 (mtmm) cc_final: 0.9155 (mtmt) REVERT: OM 13 ASP cc_start: 0.9165 (m-30) cc_final: 0.8937 (m-30) REVERT: ON 6 LYS cc_start: 0.9108 (tmmt) cc_final: 0.8880 (ttpp) REVERT: OP 1 MET cc_start: 0.7979 (tmm) cc_final: 0.7379 (tmm) REVERT: OQ 1 MET cc_start: 0.6065 (ptm) cc_final: 0.5499 (ptp) REVERT: OT 1 MET cc_start: 0.8311 (tmm) cc_final: 0.7848 (tmm) REVERT: OW 1 MET cc_start: 0.6165 (ppp) cc_final: 0.5553 (ppp) REVERT: OY 1 MET cc_start: 0.7811 (ptm) cc_final: 0.6709 (ptp) REVERT: O2 1 MET cc_start: 0.6061 (ptt) cc_final: 0.4346 (pmm) REVERT: O3 1 MET cc_start: 0.6800 (pmm) cc_final: 0.6366 (pmm) REVERT: O3 17 LYS cc_start: 0.8683 (mtpp) cc_final: 0.8422 (mmtm) REVERT: O8 1 MET cc_start: 0.7274 (ppp) cc_final: 0.6687 (ppp) REVERT: O9 1 MET cc_start: 0.7714 (tmm) cc_final: 0.6701 (tmm) REVERT: PA 1 MET cc_start: 0.6926 (ptm) cc_final: 0.6236 (ptt) REVERT: PA 9 LYS cc_start: 0.7235 (tptp) cc_final: 0.6500 (tptp) REVERT: PA 13 ASP cc_start: 0.8582 (m-30) cc_final: 0.7672 (m-30) REVERT: PE 11 PHE cc_start: 0.7885 (m-80) cc_final: 0.7608 (m-80) REVERT: PF 17 LYS cc_start: 0.8982 (mtpp) cc_final: 0.8724 (pttt) REVERT: PG 1 MET cc_start: 0.7796 (ppp) cc_final: 0.6570 (ppp) REVERT: PH 1 MET cc_start: 0.7331 (tmm) cc_final: 0.6828 (tmm) REVERT: PJ 1 MET cc_start: 0.7834 (pmm) cc_final: 0.7563 (pmm) REVERT: PL 1 MET cc_start: 0.7832 (tmm) cc_final: 0.6930 (tmm) REVERT: PN 12 LYS cc_start: 0.8844 (mmtt) cc_final: 0.8574 (tppt) REVERT: PO 1 MET cc_start: 0.6924 (ppp) cc_final: 0.6525 (ptp) REVERT: PO 2 GLU cc_start: 0.8817 (tm-30) cc_final: 0.8593 (tm-30) REVERT: PO 9 LYS cc_start: 0.9589 (mtpt) cc_final: 0.9103 (mmmm) REVERT: PP 1 MET cc_start: 0.7950 (tmm) cc_final: 0.7032 (tmm) REVERT: PP 4 VAL cc_start: 0.9233 (t) cc_final: 0.8986 (t) REVERT: PX 1 MET cc_start: 0.8098 (tmm) cc_final: 0.7554 (tmm) REVERT: PX 14 LEU cc_start: 0.9186 (tp) cc_final: 0.8945 (tt) REVERT: PY 1 MET cc_start: 0.7582 (ptm) cc_final: 0.6748 (ptp) REVERT: PY 12 LYS cc_start: 0.9340 (pttm) cc_final: 0.8914 (pttp) REVERT: P1 1 MET cc_start: 0.7216 (tmm) cc_final: 0.7015 (tmm) REVERT: P2 1 MET cc_start: 0.7702 (ptm) cc_final: 0.7220 (ptp) REVERT: P2 12 LYS cc_start: 0.9413 (pptt) cc_final: 0.9156 (pptt) REVERT: P5 1 MET cc_start: 0.8539 (tmm) cc_final: 0.7557 (tmm) REVERT: P6 1 MET cc_start: 0.7982 (ptm) cc_final: 0.7015 (pmm) REVERT: P7 13 ASP cc_start: 0.8028 (m-30) cc_final: 0.7494 (m-30) REVERT: P8 1 MET cc_start: 0.7169 (ppp) cc_final: 0.6661 (ppp) REVERT: P8 8 PHE cc_start: 0.8473 (t80) cc_final: 0.7711 (t80) REVERT: QA 13 ASP cc_start: 0.9106 (m-30) cc_final: 0.8824 (m-30) REVERT: QD 1 MET cc_start: 0.7607 (tmm) cc_final: 0.6849 (tmm) REVERT: QH 1 MET cc_start: 0.7950 (tmm) cc_final: 0.7517 (tmm) REVERT: QI 1 MET cc_start: 0.5672 (ptp) cc_final: 0.5427 (ptm) REVERT: QI 13 ASP cc_start: 0.9008 (m-30) cc_final: 0.8788 (m-30) REVERT: QK 1 MET cc_start: 0.6921 (ppp) cc_final: 0.6241 (ppp) REVERT: QL 1 MET cc_start: 0.8204 (tmm) cc_final: 0.7122 (tmm) REVERT: QM 12 LYS cc_start: 0.9203 (tmtt) cc_final: 0.8847 (pttm) REVERT: QN 1 MET cc_start: 0.7993 (tmm) cc_final: 0.7542 (tmm) REVERT: QO 1 MET cc_start: 0.6851 (ppp) cc_final: 0.6399 (ppp) REVERT: QP 1 MET cc_start: 0.7813 (ttp) cc_final: 0.7314 (tmm) REVERT: QQ 6 LYS cc_start: 0.9315 (mppt) cc_final: 0.8984 (mmtm) REVERT: QQ 18 PHE cc_start: 0.8485 (t80) cc_final: 0.8072 (t80) REVERT: QT 1 MET cc_start: 0.8729 (tmm) cc_final: 0.7877 (tmm) REVERT: QU 1 MET cc_start: 0.8248 (ptm) cc_final: 0.6944 (ptp) REVERT: QW 1 MET cc_start: 0.6624 (ppp) cc_final: 0.5713 (ppp) REVERT: QX 1 MET cc_start: 0.8318 (tmm) cc_final: 0.6996 (tmm) REVERT: QY 18 PHE cc_start: 0.8668 (t80) cc_final: 0.8381 (t80) REVERT: Q1 1 MET cc_start: 0.8516 (tmm) cc_final: 0.7642 (tmm) REVERT: Q4 1 MET cc_start: 0.6972 (ppp) cc_final: 0.6459 (ppp) REVERT: Q8 1 MET cc_start: 0.7172 (ppp) cc_final: 0.6043 (ppp) REVERT: Q9 9 LYS cc_start: 0.9276 (tppp) cc_final: 0.8689 (tppt) REVERT: RC 1 MET cc_start: 0.6973 (ppp) cc_final: 0.6741 (ppp) REVERT: RC 8 PHE cc_start: 0.8263 (t80) cc_final: 0.7761 (t80) REVERT: RE 12 LYS cc_start: 0.9173 (tttm) cc_final: 0.8834 (tptp) REVERT: RF 11 PHE cc_start: 0.8110 (m-80) cc_final: 0.7887 (m-80) REVERT: RG 1 MET cc_start: 0.7635 (ppp) cc_final: 0.7362 (ppp) REVERT: RH 1 MET cc_start: 0.7718 (tmm) cc_final: 0.6567 (tmm) REVERT: RH 9 LYS cc_start: 0.9280 (tmtt) cc_final: 0.8923 (tptp) REVERT: RL 1 MET cc_start: 0.8562 (tmm) cc_final: 0.7424 (tmm) REVERT: RM 9 LYS cc_start: 0.9069 (ttmm) cc_final: 0.8790 (mtmm) REVERT: RM 13 ASP cc_start: 0.8829 (m-30) cc_final: 0.8607 (m-30) REVERT: RP 1 MET cc_start: 0.8333 (tmm) cc_final: 0.7411 (tmm) REVERT: RP 9 LYS cc_start: 0.9287 (tmtt) cc_final: 0.8976 (tptp) REVERT: RS 1 MET cc_start: 0.5994 (ppp) cc_final: 0.5136 (ppp) REVERT: RT 1 MET cc_start: 0.8014 (tmm) cc_final: 0.6882 (tmm) REVERT: RU 12 LYS cc_start: 0.9188 (pptt) cc_final: 0.8964 (pptt) REVERT: RX 1 MET cc_start: 0.8078 (ttp) cc_final: 0.6952 (tmm) REVERT: RX 4 VAL cc_start: 0.9136 (t) cc_final: 0.8881 (t) REVERT: RY 1 MET cc_start: 0.6612 (ptm) cc_final: 0.4864 (pmm) REVERT: RY 6 LYS cc_start: 0.8991 (mtmm) cc_final: 0.8707 (ptpp) REVERT: RY 13 ASP cc_start: 0.9046 (m-30) cc_final: 0.8813 (m-30) REVERT: RZ 6 LYS cc_start: 0.9146 (tmmt) cc_final: 0.8918 (ttpp) REVERT: RZ 12 LYS cc_start: 0.9213 (pttt) cc_final: 0.8820 (tppt) REVERT: R1 1 MET cc_start: 0.7967 (tmm) cc_final: 0.7281 (tmm) REVERT: R2 1 MET cc_start: 0.5654 (ptm) cc_final: 0.4977 (ptp) REVERT: R3 1 MET cc_start: 0.6657 (pmm) cc_final: 0.6415 (pmm) REVERT: R5 1 MET cc_start: 0.8412 (tmm) cc_final: 0.7581 (tmm) REVERT: R6 1 MET cc_start: 0.6715 (pmm) cc_final: 0.6437 (ptp) REVERT: R6 12 LYS cc_start: 0.9243 (tptt) cc_final: 0.8918 (pttp) REVERT: R8 1 MET cc_start: 0.6153 (ppp) cc_final: 0.5527 (ppp) REVERT: R9 1 MET cc_start: 0.7923 (tmm) cc_final: 0.7268 (tmm) REVERT: R9 9 LYS cc_start: 0.9428 (tmtt) cc_final: 0.9110 (tptp) REVERT: SA 1 MET cc_start: 0.7737 (ptm) cc_final: 0.6769 (ptp) REVERT: SD 1 MET cc_start: 0.6556 (tmm) cc_final: 0.6143 (tmm) REVERT: SD 4 VAL cc_start: 0.8903 (t) cc_final: 0.8578 (t) REVERT: SE 1 MET cc_start: 0.5891 (ptm) cc_final: 0.5136 (ptp) REVERT: SI 1 MET cc_start: 0.5567 (ptm) cc_final: 0.4620 (ptp) REVERT: SK 1 MET cc_start: 0.7404 (ppp) cc_final: 0.7073 (ppp) REVERT: SL 1 MET cc_start: 0.7517 (tmm) cc_final: 0.6695 (tmm) REVERT: SM 1 MET cc_start: 0.7017 (ptm) cc_final: 0.6617 (ptt) REVERT: SM 17 LYS cc_start: 0.8668 (ttmm) cc_final: 0.8154 (tmtt) REVERT: SO 1 MET cc_start: 0.7468 (ppp) cc_final: 0.6477 (ppp) REVERT: SP 1 MET cc_start: 0.7972 (tmm) cc_final: 0.6944 (tmm) REVERT: SS 1 MET cc_start: 0.7618 (ppp) cc_final: 0.6284 (ppp) REVERT: ST 1 MET cc_start: 0.7269 (tmm) cc_final: 0.6531 (tmm) REVERT: SU 1 MET cc_start: 0.7252 (ptm) cc_final: 0.6789 (ptp) REVERT: SV 1 MET cc_start: 0.8109 (pmm) cc_final: 0.7899 (pmm) REVERT: SX 1 MET cc_start: 0.8214 (tmm) cc_final: 0.7093 (tmm) REVERT: S0 2 GLU cc_start: 0.8831 (tm-30) cc_final: 0.8622 (tm-30) REVERT: S1 1 MET cc_start: 0.7742 (tmm) cc_final: 0.7517 (tmm) REVERT: S2 1 MET cc_start: 0.7309 (ptm) cc_final: 0.6880 (ptp) REVERT: S3 17 LYS cc_start: 0.8607 (pttm) cc_final: 0.8248 (ptmm) REVERT: S7 17 LYS cc_start: 0.8040 (pptt) cc_final: 0.7815 (mmtm) REVERT: S9 1 MET cc_start: 0.8107 (tmm) cc_final: 0.7022 (tmm) REVERT: TA 1 MET cc_start: 0.7427 (ptm) cc_final: 0.5883 (pmm) REVERT: TA 12 LYS cc_start: 0.9144 (pttp) cc_final: 0.8899 (pttp) REVERT: TB 17 LYS cc_start: 0.8694 (pttp) cc_final: 0.8024 (pttp) REVERT: TH 1 MET cc_start: 0.8488 (tmm) cc_final: 0.7267 (tmm) REVERT: TI 1 MET cc_start: 0.7892 (ptm) cc_final: 0.6914 (pmm) REVERT: TJ 13 ASP cc_start: 0.8261 (m-30) cc_final: 0.8048 (m-30) REVERT: TK 1 MET cc_start: 0.6403 (ppp) cc_final: 0.6145 (ppp) REVERT: TL 1 MET cc_start: 0.7951 (tmm) cc_final: 0.6667 (tmm) REVERT: TM 13 ASP cc_start: 0.9084 (m-30) cc_final: 0.8767 (m-30) REVERT: TP 1 MET cc_start: 0.7380 (tmm) cc_final: 0.6429 (tmm) REVERT: TP 9 LYS cc_start: 0.9345 (tmtt) cc_final: 0.9118 (tptp) REVERT: TR 17 LYS cc_start: 0.8567 (ptmm) cc_final: 0.8075 (pttp) REVERT: TS 1 MET cc_start: 0.6478 (ppp) cc_final: 0.5209 (ppp) REVERT: TT 9 LYS cc_start: 0.9302 (ttmm) cc_final: 0.9058 (mmmm) REVERT: TW 1 MET cc_start: 0.6501 (ppp) cc_final: 0.5873 (ppp) REVERT: TX 1 MET cc_start: 0.8276 (tmm) cc_final: 0.7164 (tmm) REVERT: TX 9 LYS cc_start: 0.9106 (tttm) cc_final: 0.8700 (tmtt) REVERT: T0 1 MET cc_start: 0.6447 (ppp) cc_final: 0.5413 (ppp) REVERT: T1 1 MET cc_start: 0.7797 (ttp) cc_final: 0.7091 (tmm) REVERT: T5 1 MET cc_start: 0.8552 (tmm) cc_final: 0.7525 (tmm) REVERT: T6 1 MET cc_start: 0.7889 (ptm) cc_final: 0.6726 (ptp) REVERT: T6 18 PHE cc_start: 0.8601 (t80) cc_final: 0.8366 (t80) REVERT: T9 1 MET cc_start: 0.8208 (tmm) cc_final: 0.6667 (tmm) REVERT: UC 1 MET cc_start: 0.7345 (ppp) cc_final: 0.6564 (ppp) REVERT: UD 1 MET cc_start: 0.8482 (tmm) cc_final: 0.7964 (tmm) REVERT: UE 1 MET cc_start: 0.7282 (ptm) cc_final: 0.6180 (ptp) REVERT: UF 1 MET cc_start: 0.8418 (tmm) cc_final: 0.8153 (tmm) REVERT: UF 12 LYS cc_start: 0.9074 (mmpt) cc_final: 0.8829 (tppt) REVERT: UF 13 ASP cc_start: 0.7854 (t70) cc_final: 0.6968 (t70) REVERT: UG 1 MET cc_start: 0.7117 (ppp) cc_final: 0.6647 (ppp) REVERT: UH 1 MET cc_start: 0.7815 (tmm) cc_final: 0.7548 (ttp) REVERT: UK 1 MET cc_start: 0.7266 (ppp) cc_final: 0.6499 (ppp) REVERT: UL 1 MET cc_start: 0.8022 (ttp) cc_final: 0.7809 (tmm) REVERT: UN 1 MET cc_start: 0.6922 (ppp) cc_final: 0.6687 (ppp) REVERT: UO 1 MET cc_start: 0.6930 (ppp) cc_final: 0.6278 (ppp) REVERT: UQ 12 LYS cc_start: 0.9206 (tttm) cc_final: 0.8993 (tptp) REVERT: US 1 MET cc_start: 0.7432 (ppp) cc_final: 0.7092 (ppp) REVERT: UT 1 MET cc_start: 0.7812 (tmm) cc_final: 0.6425 (tmm) REVERT: UT 9 LYS cc_start: 0.9211 (tptm) cc_final: 0.8891 (tptp) REVERT: UU 9 LYS cc_start: 0.9002 (tppt) cc_final: 0.8706 (tppt) REVERT: UU 13 ASP cc_start: 0.8704 (m-30) cc_final: 0.8463 (m-30) REVERT: UW 1 MET cc_start: 0.6879 (ppp) cc_final: 0.6307 (ppp) REVERT: UX 1 MET cc_start: 0.8240 (tmm) cc_final: 0.6699 (tmm) REVERT: UY 12 LYS cc_start: 0.9432 (pttp) cc_final: 0.9170 (pptt) REVERT: UY 13 ASP cc_start: 0.9056 (m-30) cc_final: 0.8346 (m-30) REVERT: U0 8 PHE cc_start: 0.8338 (t80) cc_final: 0.7854 (t80) REVERT: U1 1 MET cc_start: 0.8140 (tmm) cc_final: 0.6752 (tmm) REVERT: U2 13 ASP cc_start: 0.9067 (m-30) cc_final: 0.8775 (m-30) REVERT: U4 1 MET cc_start: 0.6193 (ppp) cc_final: 0.5304 (ppp) REVERT: U5 1 MET cc_start: 0.8046 (tmm) cc_final: 0.6398 (tmm) REVERT: U7 13 ASP cc_start: 0.8189 (p0) cc_final: 0.7879 (p0) REVERT: U9 1 MET cc_start: 0.8305 (tmm) cc_final: 0.7675 (tmm) REVERT: VA 1 MET cc_start: 0.6558 (ptm) cc_final: 0.6144 (ptm) REVERT: VA 13 ASP cc_start: 0.9171 (m-30) cc_final: 0.8950 (m-30) REVERT: VD 1 MET cc_start: 0.8073 (tmm) cc_final: 0.7458 (tmm) REVERT: VE 1 MET cc_start: 0.5363 (ptm) cc_final: 0.4495 (ptp) REVERT: VE 18 PHE cc_start: 0.8728 (t80) cc_final: 0.8512 (t80) REVERT: VH 1 MET cc_start: 0.8279 (tmm) cc_final: 0.7188 (tmm) REVERT: VK 1 MET cc_start: 0.6429 (ppp) cc_final: 0.6193 (ppp) REVERT: VL 1 MET cc_start: 0.7776 (tmm) cc_final: 0.7228 (tmm) REVERT: VL 9 LYS cc_start: 0.9368 (tmtt) cc_final: 0.9093 (tptp) REVERT: VM 17 LYS cc_start: 0.8816 (ttpt) cc_final: 0.8149 (mmmt) REVERT: VP 4 VAL cc_start: 0.8881 (t) cc_final: 0.8629 (t) REVERT: VQ 1 MET cc_start: 0.6124 (ptm) cc_final: 0.5285 (ptp) REVERT: VQ 2 GLU cc_start: 0.7890 (pp20) cc_final: 0.7559 (pp20) REVERT: VR 17 LYS cc_start: 0.8493 (mtpp) cc_final: 0.8257 (mmtm) REVERT: VU 12 LYS cc_start: 0.9172 (tmtt) cc_final: 0.8909 (tptp) outliers start: 0 outliers final: 0 residues processed: 4757 average time/residue: 1.3382 time to fit residues: 10900.1990 Evaluate side-chains 3696 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3696 time to evaluate : 13.659 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1567 optimal weight: 0.1980 chunk 183 optimal weight: 0.9980 chunk 926 optimal weight: 2.9990 chunk 1187 optimal weight: 2.9990 chunk 919 optimal weight: 5.9990 chunk 1368 optimal weight: 3.9990 chunk 907 optimal weight: 5.9990 chunk 1619 optimal weight: 10.0000 chunk 1013 optimal weight: 10.0000 chunk 987 optimal weight: 6.9990 chunk 747 optimal weight: 5.9990 overall best weight: 2.2386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** b 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 21 ASN BB 21 ASN BE 21 ASN ** F5 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H2 21 ASN JH 21 ASN ** MT 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** TH 21 ASN Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8055 moved from start: 0.6287 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.041 151200 Z= 0.209 Angle : 0.582 13.700 198240 Z= 0.281 Chirality : 0.028 0.252 20160 Planarity : 0.002 0.019 23520 Dihedral : 4.295 19.694 16800 Min Nonbonded Distance : 2.151 Molprobity Statistics. All-atom Clashscore : 16.77 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.50 % Favored : 99.50 % Rotamer: Outliers : 0.00 % Allowed : 2.61 % Favored : 97.39 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.60 (0.06), residues: 15960 helix: 1.65 (0.04), residues: 13704 sheet: None (None), residues: 0 loop : -2.61 (0.08), residues: 2256 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.042 0.002 PHENQ 11 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4702 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4702 time to evaluate : 13.648 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: B 1 MET cc_start: 0.8261 (tmm) cc_final: 0.7297 (tmm) REVERT: E 1 MET cc_start: 0.7413 (ppp) cc_final: 0.6572 (ppp) REVERT: E 2 GLU cc_start: 0.8947 (tm-30) cc_final: 0.8709 (tm-30) REVERT: F 1 MET cc_start: 0.7329 (tmm) cc_final: 0.6783 (tmm) REVERT: G 1 MET cc_start: 0.6815 (ptm) cc_final: 0.6325 (ptt) REVERT: G 17 LYS cc_start: 0.9041 (ttmm) cc_final: 0.8415 (tmtt) REVERT: I 2 GLU cc_start: 0.9053 (tm-30) cc_final: 0.8804 (tp30) REVERT: J 1 MET cc_start: 0.7537 (tmm) cc_final: 0.7324 (tmm) REVERT: L 6 LYS cc_start: 0.8011 (tmmt) cc_final: 0.7607 (tmtt) REVERT: L 17 LYS cc_start: 0.8913 (mtpp) cc_final: 0.8691 (mtmm) REVERT: M 1 MET cc_start: 0.7588 (ppp) cc_final: 0.6094 (ppp) REVERT: N 1 MET cc_start: 0.7698 (tmm) cc_final: 0.7407 (tmm) REVERT: O 1 MET cc_start: 0.7434 (ptm) cc_final: 0.7069 (ptt) REVERT: Q 1 MET cc_start: 0.6356 (ppp) cc_final: 0.6118 (ppp) REVERT: R 1 MET cc_start: 0.8053 (tmm) cc_final: 0.6703 (tmm) REVERT: W 1 MET cc_start: 0.6644 (pmm) cc_final: 0.6388 (ptp) REVERT: W 6 LYS cc_start: 0.9151 (ptpp) cc_final: 0.8911 (pttp) REVERT: Y 9 LYS cc_start: 0.9585 (mtpt) cc_final: 0.9296 (mmmt) REVERT: 0 1 MET cc_start: 0.7700 (ptm) cc_final: 0.7199 (ptt) REVERT: 1 9 LYS cc_start: 0.8772 (tppt) cc_final: 0.8285 (tppt) REVERT: 1 13 ASP cc_start: 0.8502 (m-30) cc_final: 0.7990 (m-30) REVERT: 3 1 MET cc_start: 0.8166 (tmm) cc_final: 0.7748 (tmm) REVERT: 3 9 LYS cc_start: 0.8697 (mmmt) cc_final: 0.8295 (mmmt) REVERT: 4 1 MET cc_start: 0.7186 (ptm) cc_final: 0.6814 (ptp) REVERT: 4 12 LYS cc_start: 0.9256 (pttm) cc_final: 0.8894 (pttm) REVERT: 5 1 MET cc_start: 0.8305 (tmm) cc_final: 0.7129 (tmm) REVERT: 6 1 MET cc_start: 0.6644 (ppp) cc_final: 0.6221 (ppp) REVERT: 7 1 MET cc_start: 0.7696 (tmm) cc_final: 0.6925 (tmm) REVERT: 8 12 LYS cc_start: 0.9268 (pptt) cc_final: 0.8958 (pptt) REVERT: 9 12 LYS cc_start: 0.9039 (pttm) cc_final: 0.8805 (ttmm) REVERT: b 1 MET cc_start: 0.8303 (tmm) cc_final: 0.7721 (tmm) REVERT: b 9 LYS cc_start: 0.8820 (tmtt) cc_final: 0.8546 (tptp) REVERT: c 12 LYS cc_start: 0.9242 (pttm) cc_final: 0.9027 (pttm) REVERT: g 12 LYS cc_start: 0.9483 (tmtt) cc_final: 0.9197 (pttm) REVERT: i 1 MET cc_start: 0.6660 (ppp) cc_final: 0.6312 (ppp) REVERT: q 1 MET cc_start: 0.6577 (ppp) cc_final: 0.6082 (ppp) REVERT: r 9 LYS cc_start: 0.8998 (tmtt) cc_final: 0.8793 (tmtt) REVERT: s 12 LYS cc_start: 0.9148 (pttp) cc_final: 0.8808 (pttm) REVERT: v 1 MET cc_start: 0.8467 (tmm) cc_final: 0.7748 (tmm) REVERT: w 1 MET cc_start: 0.7772 (ptm) cc_final: 0.6803 (ptp) REVERT: y 1 MET cc_start: 0.6881 (ppp) cc_final: 0.6143 (ppp) REVERT: AA 1 MET cc_start: 0.5386 (ptm) cc_final: 0.4646 (ptp) REVERT: AB 1 MET cc_start: 0.7841 (pmm) cc_final: 0.7139 (pmm) REVERT: AD 1 MET cc_start: 0.8305 (tmm) cc_final: 0.7647 (tmm) REVERT: AE 1 MET cc_start: 0.6600 (ptm) cc_final: 0.5948 (ptp) REVERT: AE 13 ASP cc_start: 0.8629 (m-30) cc_final: 0.8427 (m-30) REVERT: AG 1 MET cc_start: 0.7055 (ppp) cc_final: 0.6731 (ppp) REVERT: AH 1 MET cc_start: 0.7658 (tmm) cc_final: 0.6125 (tmm) REVERT: AO 1 MET cc_start: 0.6932 (ppp) cc_final: 0.6034 (ppp) REVERT: AO 8 PHE cc_start: 0.8324 (t80) cc_final: 0.7960 (t80) REVERT: AP 1 MET cc_start: 0.7945 (tmm) cc_final: 0.7157 (tmm) REVERT: AQ 12 LYS cc_start: 0.9264 (tttm) cc_final: 0.8763 (tptp) REVERT: AS 1 MET cc_start: 0.7727 (ppp) cc_final: 0.7358 (ppp) REVERT: AT 1 MET cc_start: 0.7600 (tmm) cc_final: 0.6898 (tmm) REVERT: AU 13 ASP cc_start: 0.8893 (m-30) cc_final: 0.8691 (m-30) REVERT: AY 1 MET cc_start: 0.6519 (ptm) cc_final: 0.5571 (ptp) REVERT: A1 3 PHE cc_start: 0.8194 (m-10) cc_final: 0.7986 (m-10) REVERT: A4 1 MET cc_start: 0.6060 (ppp) cc_final: 0.4996 (ppp) REVERT: A5 1 MET cc_start: 0.8082 (tmm) cc_final: 0.6707 (tmm) REVERT: A6 3 PHE cc_start: 0.8000 (t80) cc_final: 0.7385 (t80) REVERT: A6 17 LYS cc_start: 0.8403 (ttpt) cc_final: 0.7861 (mmmt) REVERT: BA 1 MET cc_start: 0.6282 (ptm) cc_final: 0.4805 (pmm) REVERT: BB 2 GLU cc_start: 0.7822 (tp30) cc_final: 0.7366 (mp0) REVERT: BB 6 LYS cc_start: 0.9136 (tmmt) cc_final: 0.8854 (ttpp) REVERT: BE 1 MET cc_start: 0.5290 (ptm) cc_final: 0.4416 (ptp) REVERT: BH 1 MET cc_start: 0.8276 (tmm) cc_final: 0.7405 (tmm) REVERT: BI 12 LYS cc_start: 0.9376 (pptt) cc_final: 0.9168 (pptt) REVERT: BK 2 GLU cc_start: 0.7922 (tm-30) cc_final: 0.7553 (mp0) REVERT: BK 8 PHE cc_start: 0.8964 (t80) cc_final: 0.8031 (t80) REVERT: BL 1 MET cc_start: 0.8025 (tmm) cc_final: 0.6967 (tmm) REVERT: BL 4 VAL cc_start: 0.9092 (p) cc_final: 0.8868 (p) REVERT: BL 9 LYS cc_start: 0.9399 (tmtt) cc_final: 0.9124 (tptp) REVERT: BO 1 MET cc_start: 0.6962 (ppp) cc_final: 0.6613 (ppp) REVERT: BQ 1 MET cc_start: 0.5956 (ptm) cc_final: 0.4625 (ptm) REVERT: BR 6 LYS cc_start: 0.8796 (pttt) cc_final: 0.8391 (pttt) REVERT: BR 12 LYS cc_start: 0.6622 (tptt) cc_final: 0.5947 (mptt) REVERT: BT 14 LEU cc_start: 0.8884 (tp) cc_final: 0.8507 (tt) REVERT: BU 1 MET cc_start: 0.5515 (ptm) cc_final: 0.4174 (ptp) REVERT: BW 1 MET cc_start: 0.7605 (ppp) cc_final: 0.6688 (ppp) REVERT: BX 1 MET cc_start: 0.7251 (tmm) cc_final: 0.6016 (tmm) REVERT: BX 10 PHE cc_start: 0.7962 (t80) cc_final: 0.7505 (m-10) REVERT: BY 1 MET cc_start: 0.7102 (ptm) cc_final: 0.6412 (ptt) REVERT: BY 17 LYS cc_start: 0.8785 (ttmm) cc_final: 0.8360 (tmtt) REVERT: BZ 6 LYS cc_start: 0.6269 (tmtt) cc_final: 0.5519 (tttt) REVERT: B1 14 LEU cc_start: 0.8631 (mm) cc_final: 0.8268 (tp) REVERT: B2 11 PHE cc_start: 0.7788 (m-10) cc_final: 0.7464 (m-10) REVERT: B4 1 MET cc_start: 0.7601 (ppp) cc_final: 0.6667 (ppp) REVERT: B6 12 LYS cc_start: 0.9489 (pptt) cc_final: 0.9001 (pptt) REVERT: B9 1 MET cc_start: 0.8144 (tmm) cc_final: 0.7159 (tmm) REVERT: CG 1 MET cc_start: 0.7133 (ppp) cc_final: 0.6395 (ppp) REVERT: CJ 9 LYS cc_start: 0.9071 (tptp) cc_final: 0.8837 (tptp) REVERT: CM 12 LYS cc_start: 0.9206 (pttp) cc_final: 0.8825 (pttp) REVERT: CQ 1 MET cc_start: 0.7350 (ptm) cc_final: 0.6665 (ptp) REVERT: CS 1 MET cc_start: 0.7704 (ppp) cc_final: 0.6995 (ppp) REVERT: CS 9 LYS cc_start: 0.9679 (mtpt) cc_final: 0.9343 (ttmm) REVERT: CT 1 MET cc_start: 0.8358 (tmm) cc_final: 0.7830 (tmm) REVERT: CX 1 MET cc_start: 0.7794 (tmm) cc_final: 0.6674 (tmm) REVERT: C1 1 MET cc_start: 0.7639 (tmm) cc_final: 0.6632 (tmm) REVERT: C3 17 LYS cc_start: 0.8666 (tttm) cc_final: 0.8294 (pttp) REVERT: C4 1 MET cc_start: 0.6559 (ppp) cc_final: 0.6082 (ppp) REVERT: C6 13 ASP cc_start: 0.9083 (m-30) cc_final: 0.8768 (m-30) REVERT: C7 12 LYS cc_start: 0.9202 (tmtt) cc_final: 0.8817 (tptp) REVERT: C8 1 MET cc_start: 0.6874 (ppp) cc_final: 0.6222 (ppp) REVERT: C9 1 MET cc_start: 0.8498 (tmm) cc_final: 0.7824 (tmm) REVERT: DA 13 ASP cc_start: 0.8891 (m-30) cc_final: 0.8684 (m-30) REVERT: DB 1 MET cc_start: 0.7968 (tmm) cc_final: 0.7665 (tmm) REVERT: DD 1 MET cc_start: 0.8174 (tmm) cc_final: 0.7529 (tmm) REVERT: DE 1 MET cc_start: 0.6643 (ptm) cc_final: 0.5866 (ptt) REVERT: DE 12 LYS cc_start: 0.9325 (tttm) cc_final: 0.8953 (ttmm) REVERT: DH 1 MET cc_start: 0.8854 (tmm) cc_final: 0.8122 (tmm) REVERT: DI 1 MET cc_start: 0.8023 (ptm) cc_final: 0.6850 (ptp) REVERT: DM 1 MET cc_start: 0.4961 (ptm) cc_final: 0.4138 (pmm) REVERT: DN 1 MET cc_start: 0.8305 (pmm) cc_final: 0.8040 (pmm) REVERT: DP 1 MET cc_start: 0.8318 (tmm) cc_final: 0.7631 (tmm) REVERT: DS 1 MET cc_start: 0.6906 (ppp) cc_final: 0.6673 (ppp) REVERT: DU 11 PHE cc_start: 0.7956 (m-10) cc_final: 0.7673 (m-10) REVERT: DX 1 MET cc_start: 0.8108 (tmm) cc_final: 0.7277 (tmm) REVERT: DY 1 MET cc_start: 0.7144 (ptp) cc_final: 0.6917 (ptp) REVERT: DY 13 ASP cc_start: 0.8831 (m-30) cc_final: 0.8496 (m-30) REVERT: D0 8 PHE cc_start: 0.8382 (t80) cc_final: 0.7654 (t80) REVERT: D2 12 LYS cc_start: 0.9222 (tttm) cc_final: 0.8835 (tptp) REVERT: D4 1 MET cc_start: 0.7937 (ppp) cc_final: 0.7573 (ppp) REVERT: D5 1 MET cc_start: 0.7901 (tmm) cc_final: 0.6959 (tmm) REVERT: D5 9 LYS cc_start: 0.9224 (tmtt) cc_final: 0.8921 (tptp) REVERT: D6 1 MET cc_start: 0.7010 (ptm) cc_final: 0.6495 (ptm) REVERT: D9 1 MET cc_start: 0.8041 (tmm) cc_final: 0.6821 (tmm) REVERT: EB 17 LYS cc_start: 0.8900 (mtpp) cc_final: 0.8297 (mmtm) REVERT: EC 8 PHE cc_start: 0.8108 (t80) cc_final: 0.7418 (t80) REVERT: ED 1 MET cc_start: 0.7511 (tmm) cc_final: 0.6935 (tmm) REVERT: EE 13 ASP cc_start: 0.9084 (m-30) cc_final: 0.8855 (m-30) REVERT: EF 6 LYS cc_start: 0.9021 (ttpt) cc_final: 0.8711 (tttt) REVERT: EG 1 MET cc_start: 0.6302 (ppp) cc_final: 0.5296 (ppp) REVERT: EH 1 MET cc_start: 0.8424 (tmm) cc_final: 0.7519 (tmm) REVERT: EJ 12 LYS cc_start: 0.9302 (pptt) cc_final: 0.9005 (tmmt) REVERT: EK 1 MET cc_start: 0.6771 (ppp) cc_final: 0.5994 (ppp) REVERT: EM 1 MET cc_start: 0.6576 (ptm) cc_final: 0.5502 (ptp) REVERT: EM 13 ASP cc_start: 0.9221 (m-30) cc_final: 0.8942 (m-30) REVERT: EP 1 MET cc_start: 0.8165 (tmm) cc_final: 0.7646 (tmm) REVERT: EQ 12 LYS cc_start: 0.9254 (tttp) cc_final: 0.8991 (ptmm) REVERT: EQ 13 ASP cc_start: 0.8735 (m-30) cc_final: 0.8461 (m-30) REVERT: ER 6 LYS cc_start: 0.8403 (pttt) cc_final: 0.8122 (ptmt) REVERT: ES 1 MET cc_start: 0.6318 (ppp) cc_final: 0.4865 (ppp) REVERT: ET 1 MET cc_start: 0.8383 (tmm) cc_final: 0.7785 (tmm) REVERT: EX 4 VAL cc_start: 0.9068 (t) cc_final: 0.8709 (p) REVERT: EY 1 MET cc_start: 0.7334 (ptm) cc_final: 0.6263 (ptt) REVERT: E1 1 MET cc_start: 0.6786 (tmm) cc_final: 0.6559 (tmm) REVERT: E1 4 VAL cc_start: 0.8890 (t) cc_final: 0.8679 (t) REVERT: E1 9 LYS cc_start: 0.9030 (tmtt) cc_final: 0.8649 (ttmm) REVERT: E2 1 MET cc_start: 0.5445 (ptm) cc_final: 0.4723 (ptp) REVERT: E2 6 LYS cc_start: 0.9449 (ptmm) cc_final: 0.9228 (ptmm) REVERT: E3 1 MET cc_start: 0.6458 (tmm) cc_final: 0.5874 (tmm) REVERT: E5 14 LEU cc_start: 0.8883 (tp) cc_final: 0.8609 (tt) REVERT: E6 1 MET cc_start: 0.5607 (ptm) cc_final: 0.5013 (ptp) REVERT: E8 1 MET cc_start: 0.7579 (ppp) cc_final: 0.6585 (ppp) REVERT: E8 2 GLU cc_start: 0.8866 (tm-30) cc_final: 0.8589 (tm-30) REVERT: E9 1 MET cc_start: 0.7466 (tmm) cc_final: 0.6498 (tmm) REVERT: FA 1 MET cc_start: 0.6661 (ptm) cc_final: 0.6031 (ptt) REVERT: FD 10 PHE cc_start: 0.8376 (t80) cc_final: 0.7265 (m-10) REVERT: FE 11 PHE cc_start: 0.7846 (m-80) cc_final: 0.7572 (m-80) REVERT: FG 1 MET cc_start: 0.7605 (ppp) cc_final: 0.6522 (ppp) REVERT: FH 1 MET cc_start: 0.7500 (tmm) cc_final: 0.7273 (tmm) REVERT: FI 1 MET cc_start: 0.6698 (ptm) cc_final: 0.6472 (ptt) REVERT: FL 1 MET cc_start: 0.8223 (tmm) cc_final: 0.7181 (tmm) REVERT: FO 8 PHE cc_start: 0.8569 (t80) cc_final: 0.7943 (t80) REVERT: FR 17 LYS cc_start: 0.8768 (mtpp) cc_final: 0.8471 (pttt) REVERT: FS 1 MET cc_start: 0.7309 (ppp) cc_final: 0.6357 (ppp) REVERT: FT 1 MET cc_start: 0.6930 (ttp) cc_final: 0.5862 (tmm) REVERT: FU 1 MET cc_start: 0.7031 (ptp) cc_final: 0.6432 (ptt) REVERT: FV 9 LYS cc_start: 0.8818 (tppt) cc_final: 0.8280 (tppt) REVERT: FV 13 ASP cc_start: 0.8496 (m-30) cc_final: 0.7965 (m-30) REVERT: FX 1 MET cc_start: 0.7553 (tmm) cc_final: 0.6543 (tmm) REVERT: FX 4 VAL cc_start: 0.9222 (t) cc_final: 0.8930 (t) REVERT: FY 1 MET cc_start: 0.7452 (ptm) cc_final: 0.6823 (ptp) REVERT: FZ 17 LYS cc_start: 0.8608 (pttp) cc_final: 0.8243 (pttp) REVERT: F0 1 MET cc_start: 0.7000 (ppp) cc_final: 0.6091 (ppp) REVERT: F1 1 MET cc_start: 0.6987 (tmm) cc_final: 0.6668 (pmm) REVERT: F2 1 MET cc_start: 0.7109 (ptm) cc_final: 0.6602 (ptp) REVERT: F2 6 LYS cc_start: 0.9386 (mmmt) cc_final: 0.9007 (mmmt) REVERT: F2 12 LYS cc_start: 0.9080 (tmmt) cc_final: 0.8614 (pttp) REVERT: F5 1 MET cc_start: 0.8368 (tmm) cc_final: 0.8111 (tmm) REVERT: F7 13 ASP cc_start: 0.8161 (m-30) cc_final: 0.7708 (m-30) REVERT: F8 1 MET cc_start: 0.7172 (ppp) cc_final: 0.6510 (ppp) REVERT: F9 1 MET cc_start: 0.7869 (ppp) cc_final: 0.7508 (ppp) REVERT: GA 1 MET cc_start: 0.7507 (ptp) cc_final: 0.7190 (ptt) REVERT: GA 13 ASP cc_start: 0.8987 (m-30) cc_final: 0.8744 (m-30) REVERT: GB 17 LYS cc_start: 0.9125 (mmmm) cc_final: 0.8836 (pttp) REVERT: GC 1 MET cc_start: 0.6483 (ppp) cc_final: 0.5377 (ppp) REVERT: GD 1 MET cc_start: 0.7750 (tmm) cc_final: 0.6724 (tmm) REVERT: GE 1 MET cc_start: 0.8179 (ptm) cc_final: 0.7779 (ptt) REVERT: GF 2 GLU cc_start: 0.8625 (tp30) cc_final: 0.8178 (mp0) REVERT: GI 1 MET cc_start: 0.5892 (ptm) cc_final: 0.5643 (ptm) REVERT: GJ 12 LYS cc_start: 0.9265 (tmtt) cc_final: 0.9004 (tptp) REVERT: GK 1 MET cc_start: 0.6633 (ppp) cc_final: 0.5931 (ppp) REVERT: GL 1 MET cc_start: 0.7868 (tmm) cc_final: 0.7152 (tmm) REVERT: GL 9 LYS cc_start: 0.9159 (tmtt) cc_final: 0.8804 (tptp) REVERT: GM 12 LYS cc_start: 0.9067 (pttp) cc_final: 0.8608 (pttm) REVERT: GP 1 MET cc_start: 0.7786 (tmm) cc_final: 0.7494 (tmm) REVERT: GQ 12 LYS cc_start: 0.9243 (tttm) cc_final: 0.8913 (ttmt) REVERT: GR 2 GLU cc_start: 0.8331 (tp30) cc_final: 0.8010 (tp30) REVERT: GT 1 MET cc_start: 0.8687 (tmm) cc_final: 0.7807 (tmm) REVERT: GX 1 MET cc_start: 0.8414 (tmm) cc_final: 0.7281 (tmm) REVERT: GY 12 LYS cc_start: 0.9330 (tptt) cc_final: 0.9116 (tptt) REVERT: GY 18 PHE cc_start: 0.8577 (t80) cc_final: 0.8327 (t80) REVERT: G0 1 MET cc_start: 0.7168 (ppp) cc_final: 0.6570 (ppp) REVERT: G1 1 MET cc_start: 0.8437 (tmm) cc_final: 0.7876 (tmm) REVERT: G2 1 MET cc_start: 0.6933 (ptm) cc_final: 0.6102 (ptp) REVERT: G3 1 MET cc_start: 0.7870 (tmm) cc_final: 0.6955 (tmm) REVERT: G4 1 MET cc_start: 0.6924 (ppp) cc_final: 0.6501 (ppp) REVERT: G5 1 MET cc_start: 0.7617 (tmm) cc_final: 0.7064 (tmm) REVERT: G8 1 MET cc_start: 0.6818 (ppp) cc_final: 0.6610 (ppp) REVERT: HA 13 ASP cc_start: 0.8736 (m-30) cc_final: 0.8522 (m-30) REVERT: HB 1 MET cc_start: 0.7066 (pmm) cc_final: 0.6604 (pmm) REVERT: HC 1 MET cc_start: 0.6742 (ppp) cc_final: 0.5777 (ppp) REVERT: HD 1 MET cc_start: 0.7596 (tmm) cc_final: 0.6461 (tmm) REVERT: HG 1 MET cc_start: 0.7623 (ppp) cc_final: 0.7285 (ppp) REVERT: HH 9 LYS cc_start: 0.9240 (tptm) cc_final: 0.8537 (tptp) REVERT: HI 1 MET cc_start: 0.6835 (ptm) cc_final: 0.6444 (ptm) REVERT: HL 1 MET cc_start: 0.8500 (tmm) cc_final: 0.7277 (tmm) REVERT: HM 9 LYS cc_start: 0.9143 (ttmm) cc_final: 0.8461 (mtmm) REVERT: HM 12 LYS cc_start: 0.9364 (pttp) cc_final: 0.9101 (pptt) REVERT: HM 13 ASP cc_start: 0.9064 (m-30) cc_final: 0.8465 (m-30) REVERT: HO 1 MET cc_start: 0.6976 (ptp) cc_final: 0.6749 (ptp) REVERT: HP 1 MET cc_start: 0.8166 (tmm) cc_final: 0.7171 (tmm) REVERT: HP 9 LYS cc_start: 0.9351 (tmtt) cc_final: 0.9064 (tptp) REVERT: HQ 6 LYS cc_start: 0.9081 (mtpt) cc_final: 0.8840 (ttmm) REVERT: HR 12 LYS cc_start: 0.8792 (tptp) cc_final: 0.8569 (tppt) REVERT: HS 8 PHE cc_start: 0.8591 (t80) cc_final: 0.8294 (t80) REVERT: HT 1 MET cc_start: 0.8275 (tmm) cc_final: 0.7368 (tmm) REVERT: HV 13 ASP cc_start: 0.8431 (t0) cc_final: 0.8195 (t0) REVERT: HW 1 MET cc_start: 0.6815 (ppp) cc_final: 0.6369 (ppp) REVERT: HX 1 MET cc_start: 0.7960 (ttp) cc_final: 0.7521 (tmm) REVERT: HY 1 MET cc_start: 0.6740 (ptm) cc_final: 0.6150 (ptp) REVERT: HY 13 ASP cc_start: 0.8984 (m-30) cc_final: 0.8750 (m-30) REVERT: H1 1 MET cc_start: 0.7971 (tmm) cc_final: 0.7388 (tmm) REVERT: H2 1 MET cc_start: 0.5748 (ptm) cc_final: 0.4733 (ptp) REVERT: H5 1 MET cc_start: 0.7971 (tmm) cc_final: 0.7100 (tmm) REVERT: H7 1 MET cc_start: 0.6881 (pmm) cc_final: 0.6545 (pmm) REVERT: H8 2 GLU cc_start: 0.8091 (tm-30) cc_final: 0.7438 (mp0) REVERT: H9 4 VAL cc_start: 0.8877 (t) cc_final: 0.8642 (t) REVERT: H9 9 LYS cc_start: 0.9428 (tmtt) cc_final: 0.9144 (tptp) REVERT: IA 1 MET cc_start: 0.7629 (ptm) cc_final: 0.6500 (ptt) REVERT: IA 17 LYS cc_start: 0.8431 (ttpt) cc_final: 0.7453 (mmmt) REVERT: IC 1 MET cc_start: 0.6808 (ppp) cc_final: 0.6515 (ppp) REVERT: ID 1 MET cc_start: 0.6527 (tmm) cc_final: 0.6315 (tmm) REVERT: ID 4 VAL cc_start: 0.8770 (p) cc_final: 0.8500 (t) REVERT: IE 1 MET cc_start: 0.5800 (ptm) cc_final: 0.5254 (ptp) REVERT: IE 7 LEU cc_start: 0.9282 (tt) cc_final: 0.8995 (tt) REVERT: IF 1 MET cc_start: 0.6857 (tmm) cc_final: 0.6439 (tmm) REVERT: II 1 MET cc_start: 0.5507 (ptm) cc_final: 0.4458 (ptp) REVERT: IL 1 MET cc_start: 0.7092 (tmm) cc_final: 0.5709 (tmm) REVERT: IM 17 LYS cc_start: 0.8891 (ttmm) cc_final: 0.8446 (tmtt) REVERT: IR 6 LYS cc_start: 0.8334 (tmmt) cc_final: 0.8103 (tmtt) REVERT: IR 17 LYS cc_start: 0.9038 (mtpp) cc_final: 0.8536 (mmtm) REVERT: IS 1 MET cc_start: 0.7515 (ppp) cc_final: 0.6528 (ppp) REVERT: IT 1 MET cc_start: 0.7339 (tmm) cc_final: 0.7133 (tmm) REVERT: IT 10 PHE cc_start: 0.8843 (t80) cc_final: 0.8641 (t80) REVERT: IU 1 MET cc_start: 0.7132 (ptm) cc_final: 0.6717 (ptt) REVERT: IV 6 LYS cc_start: 0.9287 (tppt) cc_final: 0.8971 (mmmt) REVERT: IX 1 MET cc_start: 0.7862 (tmm) cc_final: 0.6696 (tmm) REVERT: IY 12 LYS cc_start: 0.9266 (pptt) cc_final: 0.9036 (pttm) REVERT: I1 1 MET cc_start: 0.8072 (tmm) cc_final: 0.7639 (tmm) REVERT: I4 1 MET cc_start: 0.6985 (ppp) cc_final: 0.6077 (ppp) REVERT: I5 1 MET cc_start: 0.6807 (ttp) cc_final: 0.5723 (tmm) REVERT: I7 13 ASP cc_start: 0.8512 (m-30) cc_final: 0.8248 (m-30) REVERT: I9 1 MET cc_start: 0.7564 (tmm) cc_final: 0.7192 (tmm) REVERT: I9 9 LYS cc_start: 0.8847 (tmtt) cc_final: 0.8561 (mmtp) REVERT: JA 1 MET cc_start: 0.7393 (ptm) cc_final: 0.6448 (ptp) REVERT: JA 12 LYS cc_start: 0.9300 (pttp) cc_final: 0.8952 (pttm) REVERT: JC 1 MET cc_start: 0.6700 (ppp) cc_final: 0.6281 (ppp) REVERT: JD 9 LYS cc_start: 0.9291 (tttm) cc_final: 0.8822 (tptt) REVERT: JE 6 LYS cc_start: 0.9396 (mmmt) cc_final: 0.9148 (mmmt) REVERT: JH 1 MET cc_start: 0.8547 (tmm) cc_final: 0.7928 (tmm) REVERT: JI 1 MET cc_start: 0.7938 (ptm) cc_final: 0.6899 (pmm) REVERT: JJ 9 LYS cc_start: 0.9337 (tptp) cc_final: 0.9015 (tptp) REVERT: JM 1 MET cc_start: 0.7899 (ptm) cc_final: 0.7295 (ptt) REVERT: JM 13 ASP cc_start: 0.9178 (m-30) cc_final: 0.8935 (m-30) REVERT: JP 1 MET cc_start: 0.8015 (tmm) cc_final: 0.7217 (tmm) REVERT: JP 10 PHE cc_start: 0.8831 (t80) cc_final: 0.8605 (t80) REVERT: JS 1 MET cc_start: 0.6824 (ppp) cc_final: 0.5744 (ppp) REVERT: JT 1 MET cc_start: 0.8154 (tmm) cc_final: 0.7882 (tmm) REVERT: JW 1 MET cc_start: 0.6348 (ppp) cc_final: 0.5775 (ppp) REVERT: JX 1 MET cc_start: 0.8411 (tmm) cc_final: 0.7430 (tmm) REVERT: JY 12 LYS cc_start: 0.9186 (tttm) cc_final: 0.8878 (pttm) REVERT: J0 1 MET cc_start: 0.5904 (ppp) cc_final: 0.5378 (ppp) REVERT: J0 8 PHE cc_start: 0.8119 (t80) cc_final: 0.7892 (t80) REVERT: J1 1 MET cc_start: 0.8405 (tmm) cc_final: 0.7263 (tmm) REVERT: J3 2 GLU cc_start: 0.8051 (tp30) cc_final: 0.7680 (tp30) REVERT: J5 1 MET cc_start: 0.8545 (tmm) cc_final: 0.7682 (tmm) REVERT: J6 1 MET cc_start: 0.7332 (ptp) cc_final: 0.7097 (ptp) REVERT: J6 13 ASP cc_start: 0.8726 (m-30) cc_final: 0.8520 (m-30) REVERT: J7 1 MET cc_start: 0.7472 (tmm) cc_final: 0.6828 (tmm) REVERT: J9 1 MET cc_start: 0.8256 (tmm) cc_final: 0.6796 (tmm) REVERT: KD 1 MET cc_start: 0.8106 (tmm) cc_final: 0.7719 (tmm) REVERT: KE 1 MET cc_start: 0.6553 (ptm) cc_final: 0.5958 (ptp) REVERT: KI 6 LYS cc_start: 0.8965 (ptpp) cc_final: 0.8686 (pttp) REVERT: KK 1 MET cc_start: 0.7521 (ppp) cc_final: 0.6547 (ppp) REVERT: KL 1 MET cc_start: 0.8310 (tmm) cc_final: 0.7672 (tmm) REVERT: KN 1 MET cc_start: 0.7329 (tmm) cc_final: 0.6508 (tmm) REVERT: KO 1 MET cc_start: 0.6914 (ppp) cc_final: 0.5762 (ppp) REVERT: KP 1 MET cc_start: 0.7854 (tmm) cc_final: 0.7231 (tmm) REVERT: KQ 12 LYS cc_start: 0.9311 (tttm) cc_final: 0.9036 (tmtt) REVERT: KT 1 MET cc_start: 0.7792 (tmm) cc_final: 0.6714 (tmm) REVERT: KV 6 LYS cc_start: 0.8664 (ttpt) cc_final: 0.8370 (ttpt) REVERT: KW 1 MET cc_start: 0.6835 (ppp) cc_final: 0.5289 (ppp) REVERT: KX 9 LYS cc_start: 0.8932 (mtmt) cc_final: 0.8484 (mtmt) REVERT: KZ 2 GLU cc_start: 0.8513 (tp30) cc_final: 0.8176 (tp30) REVERT: K0 1 MET cc_start: 0.6917 (ptp) cc_final: 0.6582 (ptt) REVERT: K4 1 MET cc_start: 0.6035 (ppp) cc_final: 0.5180 (ppp) REVERT: K5 1 MET cc_start: 0.7760 (tmm) cc_final: 0.6749 (tmm) REVERT: K7 1 MET cc_start: 0.8036 (pmm) cc_final: 0.7747 (pmm) REVERT: K9 1 MET cc_start: 0.8289 (tmm) cc_final: 0.7882 (tmm) REVERT: LA 1 MET cc_start: 0.7190 (ptm) cc_final: 0.6068 (ptp) REVERT: LD 1 MET cc_start: 0.8111 (tmm) cc_final: 0.7415 (tmm) REVERT: LE 1 MET cc_start: 0.5656 (ptm) cc_final: 0.4729 (ptp) REVERT: LH 1 MET cc_start: 0.8225 (tmm) cc_final: 0.7466 (tmm) REVERT: LI 1 MET cc_start: 0.6585 (ptp) cc_final: 0.6019 (ptp) REVERT: LI 6 LYS cc_start: 0.9232 (mtmm) cc_final: 0.8959 (ptpp) REVERT: LK 2 GLU cc_start: 0.8050 (tm-30) cc_final: 0.7542 (mp0) REVERT: LL 4 VAL cc_start: 0.9040 (t) cc_final: 0.8766 (t) REVERT: LL 9 LYS cc_start: 0.9408 (tmtt) cc_final: 0.9079 (tptp) REVERT: LM 1 MET cc_start: 0.7575 (ptm) cc_final: 0.6862 (ptp) REVERT: LN 1 MET cc_start: 0.7416 (pmm) cc_final: 0.7054 (pmm) REVERT: LQ 1 MET cc_start: 0.5800 (ptm) cc_final: 0.4903 (ptp) REVERT: LQ 2 GLU cc_start: 0.7902 (pp20) cc_final: 0.7674 (pp20) REVERT: LR 1 MET cc_start: 0.6993 (pmm) cc_final: 0.6118 (pmm) REVERT: LR 17 LYS cc_start: 0.8676 (mtpp) cc_final: 0.8253 (mmtm) REVERT: LT 9 LYS cc_start: 0.9258 (tmtt) cc_final: 0.9011 (tptp) REVERT: LT 14 LEU cc_start: 0.8710 (tp) cc_final: 0.8401 (tt) REVERT: LU 1 MET cc_start: 0.5164 (ptm) cc_final: 0.4704 (ptp) REVERT: LV 6 LYS cc_start: 0.8814 (pttt) cc_final: 0.8451 (mtmt) REVERT: LX 1 MET cc_start: 0.7481 (tmm) cc_final: 0.6702 (tmm) REVERT: LY 1 MET cc_start: 0.6882 (ptm) cc_final: 0.6103 (ptt) REVERT: LY 9 LYS cc_start: 0.7337 (tptp) cc_final: 0.6695 (tppt) REVERT: LY 13 ASP cc_start: 0.8599 (m-30) cc_final: 0.8325 (m-30) REVERT: LY 17 LYS cc_start: 0.8474 (ttmm) cc_final: 0.7654 (tmtt) REVERT: L1 10 PHE cc_start: 0.8562 (t80) cc_final: 0.8246 (t80) REVERT: L3 6 LYS cc_start: 0.8159 (tmmt) cc_final: 0.7944 (tmtt) REVERT: L4 1 MET cc_start: 0.7326 (ppp) cc_final: 0.6143 (ppp) REVERT: L5 1 MET cc_start: 0.7127 (tmm) cc_final: 0.6311 (tmm) REVERT: L5 9 LYS cc_start: 0.9283 (ttmt) cc_final: 0.8973 (mtpt) REVERT: L6 11 PHE cc_start: 0.7702 (m-80) cc_final: 0.7454 (m-80) REVERT: L6 12 LYS cc_start: 0.9426 (pptt) cc_final: 0.9211 (pptt) REVERT: L7 6 LYS cc_start: 0.9275 (tppt) cc_final: 0.8907 (mmmt) REVERT: L9 1 MET cc_start: 0.8090 (tmm) cc_final: 0.6926 (tmm) REVERT: MC 9 LYS cc_start: 0.9628 (mtpt) cc_final: 0.9233 (mmmt) REVERT: ME 12 LYS cc_start: 0.9291 (pttp) cc_final: 0.9004 (pttm) REVERT: MF 17 LYS cc_start: 0.8886 (tttm) cc_final: 0.8507 (pttt) REVERT: MG 1 MET cc_start: 0.7070 (ppp) cc_final: 0.5684 (ppp) REVERT: MH 1 MET cc_start: 0.7722 (tmm) cc_final: 0.6925 (tmm) REVERT: MJ 1 MET cc_start: 0.8107 (pmm) cc_final: 0.7768 (pmm) REVERT: MJ 13 ASP cc_start: 0.8483 (m-30) cc_final: 0.8110 (m-30) REVERT: ML 1 MET cc_start: 0.7817 (tmm) cc_final: 0.7603 (tmm) REVERT: MM 1 MET cc_start: 0.7492 (ptm) cc_final: 0.6988 (ptp) REVERT: MM 12 LYS cc_start: 0.9247 (pttm) cc_final: 0.8840 (pttp) REVERT: MN 17 LYS cc_start: 0.8496 (pptt) cc_final: 0.7818 (pptt) REVERT: MO 1 MET cc_start: 0.7093 (ppp) cc_final: 0.6378 (ppp) REVERT: MQ 1 MET cc_start: 0.7487 (ptm) cc_final: 0.6798 (ptt) REVERT: MT 1 MET cc_start: 0.8536 (tmm) cc_final: 0.7991 (tmm) REVERT: MV 1 MET cc_start: 0.6839 (tmm) cc_final: 0.6570 (tmm) REVERT: MW 1 MET cc_start: 0.6682 (ppp) cc_final: 0.6025 (ppp) REVERT: M0 1 MET cc_start: 0.7034 (ppp) cc_final: 0.5896 (ppp) REVERT: M1 9 LYS cc_start: 0.9372 (tmtt) cc_final: 0.9171 (tptp) REVERT: M2 18 PHE cc_start: 0.8412 (t80) cc_final: 0.8128 (t80) REVERT: M5 1 MET cc_start: 0.7750 (tmm) cc_final: 0.7269 (tmm) REVERT: M6 13 ASP cc_start: 0.8840 (m-30) cc_final: 0.8597 (m-30) REVERT: M7 12 LYS cc_start: 0.8821 (tptp) cc_final: 0.8423 (tppt) REVERT: M8 1 MET cc_start: 0.6777 (ppp) cc_final: 0.6016 (ppp) REVERT: M9 1 MET cc_start: 0.8556 (tmm) cc_final: 0.7971 (tmm) REVERT: NF 1 MET cc_start: 0.8103 (pmm) cc_final: 0.7210 (pmm) REVERT: NG 1 MET cc_start: 0.6807 (ppp) cc_final: 0.5477 (ppp) REVERT: NH 1 MET cc_start: 0.8499 (tmm) cc_final: 0.7929 (tmm) REVERT: NI 1 MET cc_start: 0.8005 (ptm) cc_final: 0.6967 (ptp) REVERT: NL 1 MET cc_start: 0.8560 (tmm) cc_final: 0.7189 (tmm) REVERT: NO 1 MET cc_start: 0.6837 (ppp) cc_final: 0.6150 (ppp) REVERT: NP 1 MET cc_start: 0.8209 (tmm) cc_final: 0.7470 (tmm) REVERT: NS 1 MET cc_start: 0.7147 (ppp) cc_final: 0.6652 (ppp) REVERT: NU 1 MET cc_start: 0.6655 (ptm) cc_final: 0.6019 (ptp) REVERT: NY 1 MET cc_start: 0.7273 (ptm) cc_final: 0.6191 (ptp) REVERT: NY 6 LYS cc_start: 0.9208 (mtmm) cc_final: 0.8761 (pttm) REVERT: N0 1 MET cc_start: 0.7194 (ppp) cc_final: 0.6432 (ppp) REVERT: N2 11 PHE cc_start: 0.7760 (m-10) cc_final: 0.7555 (m-80) REVERT: N2 12 LYS cc_start: 0.9203 (tttm) cc_final: 0.8806 (tptp) REVERT: N5 1 MET cc_start: 0.7794 (tmm) cc_final: 0.7085 (tmm) REVERT: N6 1 MET cc_start: 0.6688 (ptm) cc_final: 0.6171 (ptm) REVERT: N6 13 ASP cc_start: 0.8931 (m-30) cc_final: 0.8519 (m-30) REVERT: N7 6 LYS cc_start: 0.8866 (tttt) cc_final: 0.8646 (ttpt) REVERT: N9 1 MET cc_start: 0.8506 (tmm) cc_final: 0.7122 (tmm) REVERT: OA 1 MET cc_start: 0.5622 (ptp) cc_final: 0.4883 (ptp) REVERT: OB 2 GLU cc_start: 0.8461 (tp30) cc_final: 0.8193 (tp30) REVERT: OD 1 MET cc_start: 0.8420 (tmm) cc_final: 0.7334 (tmm) REVERT: OE 6 LYS cc_start: 0.9407 (mtpp) cc_final: 0.8749 (ttmm) REVERT: OG 1 MET cc_start: 0.6431 (ppp) cc_final: 0.5306 (ppp) REVERT: OH 1 MET cc_start: 0.8239 (tmm) cc_final: 0.7136 (tmm) REVERT: OK 1 MET cc_start: 0.7050 (ppp) cc_final: 0.5881 (ppp) REVERT: OM 1 MET cc_start: 0.7122 (ptm) cc_final: 0.6216 (ptp) REVERT: OM 6 LYS cc_start: 0.9348 (mtmm) cc_final: 0.9133 (mtmt) REVERT: OM 13 ASP cc_start: 0.9147 (m-30) cc_final: 0.8908 (m-30) REVERT: ON 6 LYS cc_start: 0.8970 (tmmt) cc_final: 0.8763 (ttpp) REVERT: OP 1 MET cc_start: 0.8049 (tmm) cc_final: 0.7421 (tmm) REVERT: OQ 1 MET cc_start: 0.6048 (ptm) cc_final: 0.5775 (ptm) REVERT: OR 12 LYS cc_start: 0.8666 (mmtt) cc_final: 0.8240 (mmtt) REVERT: OT 1 MET cc_start: 0.8325 (tmm) cc_final: 0.7846 (tmm) REVERT: OW 1 MET cc_start: 0.6305 (ppp) cc_final: 0.5669 (ppp) REVERT: OY 1 MET cc_start: 0.7645 (ptm) cc_final: 0.6701 (ptp) REVERT: O2 1 MET cc_start: 0.5823 (ptt) cc_final: 0.5235 (ptp) REVERT: O3 1 MET cc_start: 0.6644 (pmm) cc_final: 0.6309 (pmm) REVERT: O3 17 LYS cc_start: 0.8689 (mtpp) cc_final: 0.8435 (mmtm) REVERT: O8 1 MET cc_start: 0.7256 (ppp) cc_final: 0.6651 (ppp) REVERT: O9 1 MET cc_start: 0.7657 (tmm) cc_final: 0.6644 (tmm) REVERT: PA 1 MET cc_start: 0.7026 (ptm) cc_final: 0.6412 (ptt) REVERT: PA 9 LYS cc_start: 0.7286 (tptp) cc_final: 0.6510 (tptp) REVERT: PA 13 ASP cc_start: 0.8627 (m-30) cc_final: 0.7623 (m-30) REVERT: PE 11 PHE cc_start: 0.7801 (m-80) cc_final: 0.7542 (m-80) REVERT: PE 13 ASP cc_start: 0.9027 (m-30) cc_final: 0.8544 (m-30) REVERT: PF 1 MET cc_start: 0.8244 (ppp) cc_final: 0.8026 (ppp) REVERT: PF 17 LYS cc_start: 0.8956 (mtpp) cc_final: 0.8478 (mmtm) REVERT: PG 1 MET cc_start: 0.7711 (ppp) cc_final: 0.6490 (ppp) REVERT: PH 1 MET cc_start: 0.7454 (tmm) cc_final: 0.6962 (tmm) REVERT: PJ 1 MET cc_start: 0.7771 (pmm) cc_final: 0.7459 (pmm) REVERT: PL 1 MET cc_start: 0.7927 (tmm) cc_final: 0.6833 (tmm) REVERT: PN 12 LYS cc_start: 0.8861 (mmtt) cc_final: 0.8615 (tppt) REVERT: PO 1 MET cc_start: 0.6931 (ppp) cc_final: 0.6240 (ptp) REVERT: PO 9 LYS cc_start: 0.9594 (mtpt) cc_final: 0.9118 (mmmm) REVERT: PP 1 MET cc_start: 0.8078 (tmm) cc_final: 0.7171 (tmm) REVERT: PP 4 VAL cc_start: 0.9225 (t) cc_final: 0.8961 (t) REVERT: PX 1 MET cc_start: 0.8255 (tmm) cc_final: 0.7667 (tmm) REVERT: PY 1 MET cc_start: 0.7627 (ptm) cc_final: 0.6771 (ptp) REVERT: PY 12 LYS cc_start: 0.9362 (pttm) cc_final: 0.8877 (pttp) REVERT: P2 1 MET cc_start: 0.7743 (ptm) cc_final: 0.7031 (ptp) REVERT: P5 1 MET cc_start: 0.8540 (tmm) cc_final: 0.7685 (tmm) REVERT: P6 1 MET cc_start: 0.8033 (ptm) cc_final: 0.7002 (pmm) REVERT: P7 13 ASP cc_start: 0.8069 (m-30) cc_final: 0.7609 (m-30) REVERT: P7 17 LYS cc_start: 0.8452 (ptpp) cc_final: 0.8124 (ptpp) REVERT: P8 1 MET cc_start: 0.7148 (ppp) cc_final: 0.6617 (ppp) REVERT: P8 8 PHE cc_start: 0.8666 (t80) cc_final: 0.8407 (t80) REVERT: QA 13 ASP cc_start: 0.9108 (m-30) cc_final: 0.8831 (m-30) REVERT: QD 1 MET cc_start: 0.7681 (tmm) cc_final: 0.7032 (tmm) REVERT: QH 1 MET cc_start: 0.8039 (tmm) cc_final: 0.7756 (tmm) REVERT: QI 1 MET cc_start: 0.5508 (ptp) cc_final: 0.5307 (ptm) REVERT: QI 13 ASP cc_start: 0.9006 (m-30) cc_final: 0.8758 (m-30) REVERT: QK 1 MET cc_start: 0.6878 (ppp) cc_final: 0.6153 (ppp) REVERT: QL 1 MET cc_start: 0.8177 (tmm) cc_final: 0.7314 (tmm) REVERT: QL 9 LYS cc_start: 0.9012 (tmtt) cc_final: 0.8785 (tmtt) REVERT: QM 12 LYS cc_start: 0.9190 (tmtt) cc_final: 0.8830 (pttm) REVERT: QN 1 MET cc_start: 0.7770 (tmm) cc_final: 0.7425 (tmm) REVERT: QO 1 MET cc_start: 0.6911 (ppp) cc_final: 0.6516 (ppp) REVERT: QP 1 MET cc_start: 0.7708 (ttp) cc_final: 0.7276 (tmm) REVERT: QQ 6 LYS cc_start: 0.9265 (mppt) cc_final: 0.8996 (mmtm) REVERT: QT 1 MET cc_start: 0.8694 (tmm) cc_final: 0.7844 (tmm) REVERT: QU 1 MET cc_start: 0.8147 (ptm) cc_final: 0.6752 (ptp) REVERT: QU 13 ASP cc_start: 0.8748 (m-30) cc_final: 0.8476 (m-30) REVERT: QW 1 MET cc_start: 0.6877 (ppp) cc_final: 0.5827 (ppp) REVERT: QX 1 MET cc_start: 0.8360 (tmm) cc_final: 0.6968 (tmm) REVERT: QY 18 PHE cc_start: 0.8681 (t80) cc_final: 0.8363 (t80) REVERT: Q0 1 MET cc_start: 0.7370 (ppp) cc_final: 0.6550 (ppp) REVERT: Q1 1 MET cc_start: 0.8509 (tmm) cc_final: 0.7667 (tmm) REVERT: Q3 1 MET cc_start: 0.7581 (pmm) cc_final: 0.7263 (pmm) REVERT: Q4 1 MET cc_start: 0.6917 (ppp) cc_final: 0.6339 (ppp) REVERT: Q8 1 MET cc_start: 0.7193 (ppp) cc_final: 0.5967 (ppp) REVERT: Q8 2 GLU cc_start: 0.8523 (tm-30) cc_final: 0.8317 (tm-30) REVERT: Q9 9 LYS cc_start: 0.9231 (tppp) cc_final: 0.8701 (tppt) REVERT: RC 1 MET cc_start: 0.7024 (ppp) cc_final: 0.6572 (ppp) REVERT: RC 8 PHE cc_start: 0.8146 (t80) cc_final: 0.7646 (t80) REVERT: RE 12 LYS cc_start: 0.9218 (tttm) cc_final: 0.8857 (tptp) REVERT: RG 1 MET cc_start: 0.7616 (ppp) cc_final: 0.7310 (ppp) REVERT: RH 9 LYS cc_start: 0.9249 (tmtt) cc_final: 0.8898 (tptp) REVERT: RI 13 ASP cc_start: 0.8527 (m-30) cc_final: 0.8293 (m-30) REVERT: RL 1 MET cc_start: 0.8555 (tmm) cc_final: 0.7271 (tmm) REVERT: RM 1 MET cc_start: 0.6237 (ptm) cc_final: 0.5269 (pmm) REVERT: RM 9 LYS cc_start: 0.9091 (ttmm) cc_final: 0.8790 (mtmm) REVERT: RM 13 ASP cc_start: 0.8846 (m-30) cc_final: 0.8644 (m-30) REVERT: RP 1 MET cc_start: 0.8360 (tmm) cc_final: 0.7473 (tmm) REVERT: RP 9 LYS cc_start: 0.9261 (tmtt) cc_final: 0.8937 (tptp) REVERT: RQ 13 ASP cc_start: 0.8981 (m-30) cc_final: 0.8735 (m-30) REVERT: RS 1 MET cc_start: 0.5820 (ppp) cc_final: 0.4997 (ppp) REVERT: RT 1 MET cc_start: 0.8008 (tmm) cc_final: 0.6909 (tmm) REVERT: RU 12 LYS cc_start: 0.9191 (pptt) cc_final: 0.8965 (pptt) REVERT: RX 1 MET cc_start: 0.7961 (ttp) cc_final: 0.7584 (tmm) REVERT: RY 1 MET cc_start: 0.6488 (ptm) cc_final: 0.5129 (ptt) REVERT: RY 6 LYS cc_start: 0.9033 (mtmm) cc_final: 0.8693 (ptpp) REVERT: RY 13 ASP cc_start: 0.9064 (m-30) cc_final: 0.8811 (m-30) REVERT: RZ 6 LYS cc_start: 0.9134 (tmmt) cc_final: 0.8881 (ttpp) REVERT: RZ 12 LYS cc_start: 0.9196 (pttt) cc_final: 0.8955 (tptt) REVERT: R1 1 MET cc_start: 0.7995 (tmm) cc_final: 0.7368 (tmm) REVERT: R3 1 MET cc_start: 0.6324 (pmm) cc_final: 0.6028 (pmm) REVERT: R3 6 LYS cc_start: 0.8831 (pttt) cc_final: 0.7928 (pttp) REVERT: R5 1 MET cc_start: 0.8425 (tmm) cc_final: 0.7559 (tmm) REVERT: R6 1 MET cc_start: 0.6707 (pmm) cc_final: 0.6209 (ptt) REVERT: R6 12 LYS cc_start: 0.9300 (tptt) cc_final: 0.8925 (pttp) REVERT: R8 1 MET cc_start: 0.6121 (ppp) cc_final: 0.5443 (ppp) REVERT: R9 1 MET cc_start: 0.7837 (tmm) cc_final: 0.7204 (tmm) REVERT: R9 9 LYS cc_start: 0.9415 (tmtt) cc_final: 0.9097 (tptp) REVERT: SA 1 MET cc_start: 0.7320 (ptm) cc_final: 0.6471 (ptp) REVERT: SD 1 MET cc_start: 0.6761 (tmm) cc_final: 0.6225 (tmm) REVERT: SD 4 VAL cc_start: 0.8895 (t) cc_final: 0.8556 (t) REVERT: SE 1 MET cc_start: 0.5884 (ptm) cc_final: 0.5022 (ptp) REVERT: SI 1 MET cc_start: 0.5002 (ptm) cc_final: 0.4209 (ptp) REVERT: SL 1 MET cc_start: 0.7529 (tmm) cc_final: 0.6615 (tmm) REVERT: SM 1 MET cc_start: 0.6796 (ptm) cc_final: 0.6407 (ptt) REVERT: SM 17 LYS cc_start: 0.8664 (ttmm) cc_final: 0.8161 (tmtt) REVERT: SO 1 MET cc_start: 0.7622 (ppp) cc_final: 0.6548 (ppp) REVERT: SP 1 MET cc_start: 0.7939 (tmm) cc_final: 0.6936 (tmm) REVERT: SS 1 MET cc_start: 0.7548 (ppp) cc_final: 0.6256 (ppp) REVERT: ST 1 MET cc_start: 0.7197 (tmm) cc_final: 0.6541 (tmm) REVERT: SV 1 MET cc_start: 0.7993 (pmm) cc_final: 0.7695 (pmm) REVERT: SX 1 MET cc_start: 0.8243 (tmm) cc_final: 0.7284 (tmm) REVERT: S0 9 LYS cc_start: 0.9434 (mmmt) cc_final: 0.9184 (mtpp) REVERT: S2 1 MET cc_start: 0.7246 (ptm) cc_final: 0.6850 (ptp) REVERT: S3 17 LYS cc_start: 0.8582 (pttm) cc_final: 0.8284 (ptmm) REVERT: S5 1 MET cc_start: 0.7068 (ttp) cc_final: 0.6250 (tmm) REVERT: S7 17 LYS cc_start: 0.8031 (pptt) cc_final: 0.7821 (mmtm) REVERT: S9 1 MET cc_start: 0.7675 (tmm) cc_final: 0.7238 (tmm) REVERT: TA 1 MET cc_start: 0.7562 (ptm) cc_final: 0.5944 (pmm) REVERT: TA 12 LYS cc_start: 0.9119 (pttp) cc_final: 0.8836 (pttp) REVERT: TB 13 ASP cc_start: 0.7744 (p0) cc_final: 0.6799 (p0) REVERT: TB 17 LYS cc_start: 0.8737 (pttp) cc_final: 0.8408 (pttt) REVERT: TH 1 MET cc_start: 0.8464 (tmm) cc_final: 0.7335 (tmm) REVERT: TH 21 ASN cc_start: 0.5787 (m-40) cc_final: 0.5565 (m-40) REVERT: TI 1 MET cc_start: 0.7887 (ptm) cc_final: 0.6883 (pmm) REVERT: TK 1 MET cc_start: 0.6307 (ppp) cc_final: 0.6095 (ppp) REVERT: TL 1 MET cc_start: 0.7946 (tmm) cc_final: 0.6676 (tmm) REVERT: TM 1 MET cc_start: 0.7189 (ptp) cc_final: 0.6767 (ptp) REVERT: TM 13 ASP cc_start: 0.9093 (m-30) cc_final: 0.8785 (m-30) REVERT: TP 9 LYS cc_start: 0.9318 (tmtt) cc_final: 0.9083 (tptp) REVERT: TR 17 LYS cc_start: 0.8638 (ptmm) cc_final: 0.8129 (pttp) REVERT: TS 1 MET cc_start: 0.6355 (ppp) cc_final: 0.5022 (ppp) REVERT: TT 9 LYS cc_start: 0.9274 (ttmm) cc_final: 0.9047 (mmmm) REVERT: TW 1 MET cc_start: 0.6565 (ppp) cc_final: 0.5635 (ppp) REVERT: TX 9 LYS cc_start: 0.9039 (tttm) cc_final: 0.8638 (tmtt) REVERT: TZ 1 MET cc_start: 0.6953 (tmm) cc_final: 0.6639 (tmm) REVERT: T0 1 MET cc_start: 0.6406 (ppp) cc_final: 0.5141 (ppp) REVERT: T1 1 MET cc_start: 0.7752 (ttp) cc_final: 0.6899 (tmm) REVERT: T5 1 MET cc_start: 0.8582 (tmm) cc_final: 0.7614 (tmm) REVERT: T6 1 MET cc_start: 0.7756 (ptm) cc_final: 0.6690 (ptp) REVERT: T6 18 PHE cc_start: 0.8484 (t80) cc_final: 0.8265 (t80) REVERT: T9 1 MET cc_start: 0.8202 (tmm) cc_final: 0.6571 (tmm) REVERT: UC 1 MET cc_start: 0.7235 (ppp) cc_final: 0.6142 (ppp) REVERT: UD 1 MET cc_start: 0.8404 (tmm) cc_final: 0.7713 (tmm) REVERT: UE 1 MET cc_start: 0.7318 (ptm) cc_final: 0.6412 (ptt) REVERT: UF 1 MET cc_start: 0.8169 (tmm) cc_final: 0.7220 (tmm) REVERT: UF 13 ASP cc_start: 0.7621 (t70) cc_final: 0.6962 (t70) REVERT: UG 1 MET cc_start: 0.7063 (ppp) cc_final: 0.6764 (ppp) REVERT: UH 1 MET cc_start: 0.7940 (tmm) cc_final: 0.7673 (ttt) REVERT: UK 1 MET cc_start: 0.7265 (ppp) cc_final: 0.6433 (ppp) REVERT: UN 1 MET cc_start: 0.6883 (ppp) cc_final: 0.6361 (ppp) REVERT: UO 1 MET cc_start: 0.6892 (ppp) cc_final: 0.6016 (ppp) REVERT: UP 1 MET cc_start: 0.7780 (tmm) cc_final: 0.6519 (tmm) REVERT: UQ 12 LYS cc_start: 0.9269 (tttm) cc_final: 0.9051 (tptp) REVERT: US 1 MET cc_start: 0.7755 (ppp) cc_final: 0.6965 (ppp) REVERT: UT 1 MET cc_start: 0.7785 (tmm) cc_final: 0.6411 (tmm) REVERT: UT 9 LYS cc_start: 0.9161 (tptm) cc_final: 0.8915 (tptp) REVERT: UU 9 LYS cc_start: 0.8973 (tppt) cc_final: 0.8645 (tppt) REVERT: UU 13 ASP cc_start: 0.8676 (m-30) cc_final: 0.8346 (m-30) REVERT: UW 1 MET cc_start: 0.6894 (ppp) cc_final: 0.6347 (ppp) REVERT: UX 1 MET cc_start: 0.8238 (tmm) cc_final: 0.6678 (tmm) REVERT: UY 12 LYS cc_start: 0.9411 (pttp) cc_final: 0.9139 (pptt) REVERT: UY 13 ASP cc_start: 0.8944 (m-30) cc_final: 0.8282 (m-30) REVERT: U0 8 PHE cc_start: 0.8302 (t80) cc_final: 0.7762 (t80) REVERT: U1 1 MET cc_start: 0.8131 (tmm) cc_final: 0.6694 (tmm) REVERT: U2 13 ASP cc_start: 0.9054 (m-30) cc_final: 0.8758 (m-30) REVERT: U4 1 MET cc_start: 0.6019 (ppp) cc_final: 0.5046 (ppp) REVERT: U5 1 MET cc_start: 0.8021 (tmm) cc_final: 0.6417 (tmm) REVERT: U9 1 MET cc_start: 0.8390 (tmm) cc_final: 0.7770 (tmm) REVERT: VA 1 MET cc_start: 0.6520 (ptm) cc_final: 0.6078 (ptm) REVERT: VA 13 ASP cc_start: 0.9135 (m-30) cc_final: 0.8924 (m-30) REVERT: VD 1 MET cc_start: 0.8005 (tmm) cc_final: 0.7415 (tmm) REVERT: VE 1 MET cc_start: 0.5401 (ptm) cc_final: 0.4654 (ptt) REVERT: VH 1 MET cc_start: 0.8084 (tmm) cc_final: 0.7044 (tmm) REVERT: VK 1 MET cc_start: 0.6384 (ppp) cc_final: 0.5442 (ppp) REVERT: VL 1 MET cc_start: 0.7526 (tmm) cc_final: 0.7151 (tmm) REVERT: VM 17 LYS cc_start: 0.8857 (ttpt) cc_final: 0.8204 (mmmt) REVERT: VN 17 LYS cc_start: 0.9193 (mmtm) cc_final: 0.8902 (mmtm) REVERT: VQ 1 MET cc_start: 0.5919 (ptm) cc_final: 0.4934 (ptp) REVERT: VT 14 LEU cc_start: 0.8741 (tp) cc_final: 0.8502 (tt) outliers start: 0 outliers final: 0 residues processed: 4702 average time/residue: 1.3867 time to fit residues: 11202.0524 Evaluate side-chains 3630 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3630 time to evaluate : 13.787 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1001 optimal weight: 3.9990 chunk 646 optimal weight: 0.7980 chunk 967 optimal weight: 10.0000 chunk 487 optimal weight: 10.0000 chunk 318 optimal weight: 8.9990 chunk 313 optimal weight: 2.9990 chunk 1029 optimal weight: 9.9990 chunk 1103 optimal weight: 8.9990 chunk 800 optimal weight: 3.9990 chunk 150 optimal weight: 3.9990 chunk 1272 optimal weight: 0.9990 overall best weight: 2.5588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: b 21 ASN CT 21 ASN CV 21 ASN F5 21 ASN H2 21 ASN IR 21 ASN JH 21 ASN JJ 21 ASN MT 21 ASN UH 21 ASN Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8060 moved from start: 0.6430 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.046 151200 Z= 0.219 Angle : 0.601 19.626 198240 Z= 0.290 Chirality : 0.030 0.245 20160 Planarity : 0.002 0.016 23520 Dihedral : 4.310 21.397 16800 Min Nonbonded Distance : 2.195 Molprobity Statistics. All-atom Clashscore : 16.78 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.44 % Favored : 99.56 % Rotamer: Outliers : 0.00 % Allowed : 2.01 % Favored : 97.99 % 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: 1.80 (0.06), residues: 15960 helix: 1.72 (0.04), residues: 13315 sheet: None (None), residues: 0 loop : -1.51 (0.10), residues: 2645 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.032 0.002 PHEA2 11 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4626 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4626 time to evaluate : 13.629 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: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: B 1 MET cc_start: 0.8474 (tmm) cc_final: 0.7431 (tmm) REVERT: E 1 MET cc_start: 0.7395 (ppp) cc_final: 0.6579 (ppp) REVERT: E 2 GLU cc_start: 0.8944 (tm-30) cc_final: 0.8743 (tm-30) REVERT: F 1 MET cc_start: 0.7304 (tmm) cc_final: 0.6697 (tmm) REVERT: G 1 MET cc_start: 0.6957 (ptm) cc_final: 0.6395 (ptt) REVERT: G 13 ASP cc_start: 0.8783 (m-30) cc_final: 0.8463 (m-30) REVERT: G 17 LYS cc_start: 0.9041 (ttmm) cc_final: 0.8405 (tmtt) REVERT: H 11 PHE cc_start: 0.7696 (m-80) cc_final: 0.7315 (m-80) REVERT: I 2 GLU cc_start: 0.9044 (tm-30) cc_final: 0.8782 (tp30) REVERT: J 1 MET cc_start: 0.7607 (tmm) cc_final: 0.7330 (tmm) REVERT: L 6 LYS cc_start: 0.7968 (tmmt) cc_final: 0.7536 (tmtt) REVERT: L 17 LYS cc_start: 0.9016 (mtpp) cc_final: 0.8798 (mtmm) REVERT: M 1 MET cc_start: 0.7459 (ppp) cc_final: 0.6014 (ppp) REVERT: N 1 MET cc_start: 0.7766 (tmm) cc_final: 0.7300 (tmm) REVERT: O 1 MET cc_start: 0.7521 (ptm) cc_final: 0.7075 (ptt) REVERT: O 11 PHE cc_start: 0.7892 (m-10) cc_final: 0.7655 (m-80) REVERT: R 1 MET cc_start: 0.8055 (tmm) cc_final: 0.6669 (tmm) REVERT: W 6 LYS cc_start: 0.9176 (ptpp) cc_final: 0.8934 (pttp) REVERT: X 17 LYS cc_start: 0.8544 (pttm) cc_final: 0.8306 (ptpp) REVERT: Y 9 LYS cc_start: 0.9595 (mtpt) cc_final: 0.9290 (mmmt) REVERT: 0 1 MET cc_start: 0.7902 (ptm) cc_final: 0.7304 (ptt) REVERT: 1 9 LYS cc_start: 0.8788 (tppt) cc_final: 0.8357 (tppt) REVERT: 3 1 MET cc_start: 0.8233 (tmm) cc_final: 0.7666 (tmm) REVERT: 4 1 MET cc_start: 0.7202 (ptm) cc_final: 0.6832 (ptp) REVERT: 5 1 MET cc_start: 0.8312 (tmm) cc_final: 0.7459 (tmm) REVERT: 6 1 MET cc_start: 0.6443 (ppp) cc_final: 0.5921 (ppp) REVERT: 7 1 MET cc_start: 0.7787 (tmm) cc_final: 0.7316 (tmm) REVERT: 8 13 ASP cc_start: 0.8657 (t0) cc_final: 0.8428 (t0) REVERT: 9 12 LYS cc_start: 0.9065 (pttm) cc_final: 0.8807 (ttmm) REVERT: b 1 MET cc_start: 0.8407 (tmm) cc_final: 0.7827 (tmm) REVERT: c 12 LYS cc_start: 0.9232 (pttm) cc_final: 0.8973 (pttm) REVERT: g 12 LYS cc_start: 0.9491 (tmtt) cc_final: 0.9209 (pttm) REVERT: i 1 MET cc_start: 0.6818 (ppp) cc_final: 0.6535 (ppp) REVERT: q 1 MET cc_start: 0.6608 (ppp) cc_final: 0.5981 (ppp) REVERT: s 12 LYS cc_start: 0.9124 (pttp) cc_final: 0.8786 (pttm) REVERT: v 1 MET cc_start: 0.8635 (tmm) cc_final: 0.7840 (tmm) REVERT: w 1 MET cc_start: 0.7795 (ptm) cc_final: 0.6735 (ptp) REVERT: y 1 MET cc_start: 0.6895 (ppp) cc_final: 0.6227 (ppp) REVERT: z 1 MET cc_start: 0.8105 (tmm) cc_final: 0.7174 (tmm) REVERT: AD 1 MET cc_start: 0.8408 (tmm) cc_final: 0.7681 (tmm) REVERT: AD 9 LYS cc_start: 0.9020 (mttm) cc_final: 0.8801 (mtmt) REVERT: AE 1 MET cc_start: 0.6777 (ptm) cc_final: 0.6210 (ptp) REVERT: AG 1 MET cc_start: 0.7057 (ppp) cc_final: 0.6633 (ppp) REVERT: AH 3 PHE cc_start: 0.7831 (m-10) cc_final: 0.7496 (m-10) REVERT: AM 1 MET cc_start: 0.6412 (ptp) cc_final: 0.5345 (ptt) REVERT: AO 1 MET cc_start: 0.6980 (ppp) cc_final: 0.6040 (ppp) REVERT: AO 8 PHE cc_start: 0.8288 (t80) cc_final: 0.7895 (t80) REVERT: AP 1 MET cc_start: 0.7967 (tmm) cc_final: 0.7161 (tmm) REVERT: AQ 12 LYS cc_start: 0.9239 (tttm) cc_final: 0.8914 (tptp) REVERT: AS 1 MET cc_start: 0.7739 (ppp) cc_final: 0.7335 (ppp) REVERT: AT 1 MET cc_start: 0.7787 (tmm) cc_final: 0.6959 (tmm) REVERT: AU 13 ASP cc_start: 0.8865 (m-30) cc_final: 0.8663 (m-30) REVERT: AX 1 MET cc_start: 0.7912 (tmm) cc_final: 0.7181 (tmm) REVERT: AY 1 MET cc_start: 0.6456 (ptm) cc_final: 0.5649 (ptp) REVERT: AZ 6 LYS cc_start: 0.8915 (ptpp) cc_final: 0.8655 (ptmt) REVERT: A1 1 MET cc_start: 0.7516 (ttp) cc_final: 0.7008 (tmm) REVERT: A4 1 MET cc_start: 0.6092 (ppp) cc_final: 0.4990 (ppp) REVERT: A5 1 MET cc_start: 0.8119 (tmm) cc_final: 0.6746 (tmm) REVERT: A6 3 PHE cc_start: 0.7979 (t80) cc_final: 0.7131 (t80) REVERT: A6 17 LYS cc_start: 0.8434 (ttpt) cc_final: 0.7903 (mmmt) REVERT: A7 13 ASP cc_start: 0.8406 (t0) cc_final: 0.8025 (t0) REVERT: BA 1 MET cc_start: 0.6272 (ptm) cc_final: 0.5363 (ptp) REVERT: BB 2 GLU cc_start: 0.7863 (tp30) cc_final: 0.7433 (mp0) REVERT: BB 6 LYS cc_start: 0.9087 (tmmt) cc_final: 0.8796 (ttpp) REVERT: BE 1 MET cc_start: 0.5537 (ptm) cc_final: 0.4497 (ptp) REVERT: BH 1 MET cc_start: 0.8228 (tmm) cc_final: 0.7407 (tmm) REVERT: BI 12 LYS cc_start: 0.9396 (pptt) cc_final: 0.9177 (pptt) REVERT: BK 8 PHE cc_start: 0.8972 (t80) cc_final: 0.7716 (t80) REVERT: BL 1 MET cc_start: 0.8097 (tmm) cc_final: 0.7087 (tmm) REVERT: BL 4 VAL cc_start: 0.9048 (p) cc_final: 0.8835 (p) REVERT: BL 9 LYS cc_start: 0.9356 (tmtt) cc_final: 0.9149 (tptp) REVERT: BM 17 LYS cc_start: 0.8582 (tttt) cc_final: 0.7670 (tptp) REVERT: BO 1 MET cc_start: 0.6924 (ppp) cc_final: 0.6519 (ppp) REVERT: BQ 1 MET cc_start: 0.5680 (ptm) cc_final: 0.4973 (ptp) REVERT: BR 12 LYS cc_start: 0.6489 (tptt) cc_final: 0.5840 (mptt) REVERT: BU 1 MET cc_start: 0.5440 (ptm) cc_final: 0.4296 (ptp) REVERT: BW 1 MET cc_start: 0.7614 (ppp) cc_final: 0.6611 (ppp) REVERT: BX 1 MET cc_start: 0.7184 (tmm) cc_final: 0.5943 (tmm) REVERT: BX 4 VAL cc_start: 0.9295 (t) cc_final: 0.9077 (t) REVERT: BX 10 PHE cc_start: 0.8008 (t80) cc_final: 0.7485 (m-10) REVERT: BY 1 MET cc_start: 0.7235 (ptm) cc_final: 0.6536 (ptt) REVERT: BY 17 LYS cc_start: 0.8725 (ttmm) cc_final: 0.8183 (tmtt) REVERT: BZ 6 LYS cc_start: 0.6290 (tmtt) cc_final: 0.5450 (tttt) REVERT: B0 2 GLU cc_start: 0.9075 (tm-30) cc_final: 0.8797 (tp30) REVERT: B1 14 LEU cc_start: 0.8659 (mm) cc_final: 0.8274 (tp) REVERT: B2 11 PHE cc_start: 0.7560 (m-10) cc_final: 0.7333 (m-10) REVERT: B4 1 MET cc_start: 0.7796 (ppp) cc_final: 0.6886 (ppp) REVERT: B6 11 PHE cc_start: 0.7681 (m-80) cc_final: 0.7154 (m-10) REVERT: B6 12 LYS cc_start: 0.9482 (pptt) cc_final: 0.9085 (pptt) REVERT: B9 1 MET cc_start: 0.8199 (tmm) cc_final: 0.7424 (tmm) REVERT: CE 12 LYS cc_start: 0.9316 (pptt) cc_final: 0.8957 (pptt) REVERT: CG 1 MET cc_start: 0.7013 (ppp) cc_final: 0.6248 (ppp) REVERT: CH 1 MET cc_start: 0.6687 (ttp) cc_final: 0.5562 (tmm) REVERT: CM 12 LYS cc_start: 0.9191 (pttp) cc_final: 0.8789 (pttp) REVERT: CQ 1 MET cc_start: 0.7441 (ptm) cc_final: 0.6945 (ptp) REVERT: CS 1 MET cc_start: 0.7669 (ppp) cc_final: 0.6996 (ppp) REVERT: CS 9 LYS cc_start: 0.9667 (mtpt) cc_final: 0.9328 (ttmm) REVERT: CT 1 MET cc_start: 0.8320 (tmm) cc_final: 0.7822 (tmm) REVERT: CV 13 ASP cc_start: 0.8287 (m-30) cc_final: 0.7852 (m-30) REVERT: CW 8 PHE cc_start: 0.8182 (t80) cc_final: 0.7499 (t80) REVERT: CY 12 LYS cc_start: 0.9460 (tmtt) cc_final: 0.9149 (pttm) REVERT: CY 13 ASP cc_start: 0.9074 (m-30) cc_final: 0.8664 (m-30) REVERT: C1 1 MET cc_start: 0.7619 (tmm) cc_final: 0.6642 (tmm) REVERT: C6 13 ASP cc_start: 0.9096 (m-30) cc_final: 0.8767 (m-30) REVERT: C7 12 LYS cc_start: 0.9219 (tmtt) cc_final: 0.8833 (tptp) REVERT: C8 1 MET cc_start: 0.6513 (ppp) cc_final: 0.5806 (ppp) REVERT: C9 1 MET cc_start: 0.8549 (tmm) cc_final: 0.7851 (tmm) REVERT: DA 13 ASP cc_start: 0.8892 (m-30) cc_final: 0.8669 (m-30) REVERT: DB 1 MET cc_start: 0.8043 (tmm) cc_final: 0.7559 (tmm) REVERT: DD 1 MET cc_start: 0.8120 (tmm) cc_final: 0.7793 (tmm) REVERT: DE 1 MET cc_start: 0.6715 (ptm) cc_final: 0.5907 (ptt) REVERT: DE 12 LYS cc_start: 0.9360 (tttm) cc_final: 0.8979 (ttmm) REVERT: DG 1 MET cc_start: 0.6947 (ppp) cc_final: 0.6693 (ppp) REVERT: DH 1 MET cc_start: 0.8892 (tmm) cc_final: 0.8168 (tmm) REVERT: DI 1 MET cc_start: 0.8111 (ptm) cc_final: 0.6437 (ptp) REVERT: DP 1 MET cc_start: 0.8107 (tmm) cc_final: 0.7691 (tmm) REVERT: DR 1 MET cc_start: 0.7363 (tmm) cc_final: 0.7073 (tmm) REVERT: DS 1 MET cc_start: 0.6929 (ppp) cc_final: 0.6622 (ppp) REVERT: DU 11 PHE cc_start: 0.7900 (m-10) cc_final: 0.7675 (m-10) REVERT: DX 1 MET cc_start: 0.8159 (tmm) cc_final: 0.7328 (tmm) REVERT: DX 9 LYS cc_start: 0.8828 (tmtt) cc_final: 0.8568 (tptp) REVERT: DY 1 MET cc_start: 0.7242 (ptp) cc_final: 0.6440 (ptt) REVERT: DY 13 ASP cc_start: 0.8820 (m-30) cc_final: 0.8538 (m-30) REVERT: DZ 1 MET cc_start: 0.7168 (pmm) cc_final: 0.6724 (pmm) REVERT: D2 12 LYS cc_start: 0.9195 (tttm) cc_final: 0.8800 (tptp) REVERT: D4 1 MET cc_start: 0.7860 (ppp) cc_final: 0.7469 (ppp) REVERT: D5 1 MET cc_start: 0.7942 (tmm) cc_final: 0.7713 (tmm) REVERT: D5 9 LYS cc_start: 0.9245 (tmtt) cc_final: 0.8955 (tptp) REVERT: D6 1 MET cc_start: 0.6975 (ptm) cc_final: 0.6493 (ptm) REVERT: D9 1 MET cc_start: 0.8042 (tmm) cc_final: 0.6944 (tmm) REVERT: EB 2 GLU cc_start: 0.8579 (tp30) cc_final: 0.8337 (tp30) REVERT: EB 12 LYS cc_start: 0.8940 (tppt) cc_final: 0.8415 (tptt) REVERT: EB 17 LYS cc_start: 0.8988 (mtpp) cc_final: 0.8334 (mmtm) REVERT: EC 8 PHE cc_start: 0.8070 (t80) cc_final: 0.7391 (t80) REVERT: ED 1 MET cc_start: 0.7466 (tmm) cc_final: 0.7118 (tmm) REVERT: EE 13 ASP cc_start: 0.9086 (m-30) cc_final: 0.8876 (m-30) REVERT: EF 6 LYS cc_start: 0.8956 (ttpt) cc_final: 0.8707 (ttpt) REVERT: EG 1 MET cc_start: 0.6264 (ppp) cc_final: 0.5221 (ppp) REVERT: EH 1 MET cc_start: 0.8405 (tmm) cc_final: 0.7537 (tmm) REVERT: EJ 12 LYS cc_start: 0.9263 (pptt) cc_final: 0.8998 (tmmt) REVERT: EK 1 MET cc_start: 0.6764 (ppp) cc_final: 0.5970 (ppp) REVERT: EM 1 MET cc_start: 0.6566 (ptm) cc_final: 0.5525 (ptp) REVERT: EM 12 LYS cc_start: 0.9204 (pttp) cc_final: 0.8879 (pptt) REVERT: EM 13 ASP cc_start: 0.9245 (m-30) cc_final: 0.8781 (m-30) REVERT: EO 9 LYS cc_start: 0.9385 (mmpt) cc_final: 0.9178 (mmmt) REVERT: EP 1 MET cc_start: 0.7977 (tmm) cc_final: 0.7711 (tmm) REVERT: ES 1 MET cc_start: 0.6274 (ppp) cc_final: 0.4758 (ppp) REVERT: ET 1 MET cc_start: 0.8399 (tmm) cc_final: 0.7703 (tmm) REVERT: EX 4 VAL cc_start: 0.9030 (t) cc_final: 0.8791 (p) REVERT: EY 1 MET cc_start: 0.6897 (ptm) cc_final: 0.5762 (ptt) REVERT: EZ 12 LYS cc_start: 0.8817 (mptt) cc_final: 0.8569 (tppt) REVERT: E1 9 LYS cc_start: 0.9017 (tmtt) cc_final: 0.8606 (ttmm) REVERT: E2 1 MET cc_start: 0.5401 (ptm) cc_final: 0.4401 (ptt) REVERT: E3 1 MET cc_start: 0.6501 (tmm) cc_final: 0.5910 (tmm) REVERT: E5 14 LEU cc_start: 0.8886 (tp) cc_final: 0.8590 (tt) REVERT: E6 1 MET cc_start: 0.5958 (ptm) cc_final: 0.5230 (ptp) REVERT: E8 1 MET cc_start: 0.7640 (ppp) cc_final: 0.6609 (ppp) REVERT: E8 2 GLU cc_start: 0.8883 (tm-30) cc_final: 0.8580 (tm-30) REVERT: E9 1 MET cc_start: 0.7478 (tmm) cc_final: 0.6485 (tmm) REVERT: FA 1 MET cc_start: 0.6683 (ptm) cc_final: 0.6049 (ptt) REVERT: FA 17 LYS cc_start: 0.5965 (ttmt) cc_final: 0.4448 (tmtt) REVERT: FC 1 MET cc_start: 0.7485 (ppp) cc_final: 0.6393 (ppp) REVERT: FD 10 PHE cc_start: 0.8373 (t80) cc_final: 0.7259 (m-10) REVERT: FE 11 PHE cc_start: 0.7828 (m-80) cc_final: 0.7514 (m-80) REVERT: FG 1 MET cc_start: 0.7737 (ppp) cc_final: 0.6637 (ppp) REVERT: FI 1 MET cc_start: 0.6853 (ptm) cc_final: 0.6497 (ptt) REVERT: FI 6 LYS cc_start: 0.8321 (pptt) cc_final: 0.7941 (ptmm) REVERT: FL 1 MET cc_start: 0.8302 (tmm) cc_final: 0.7264 (tmm) REVERT: FR 17 LYS cc_start: 0.8721 (mtpp) cc_final: 0.8485 (pttt) REVERT: FS 1 MET cc_start: 0.7240 (ppp) cc_final: 0.6336 (ppp) REVERT: FT 1 MET cc_start: 0.6909 (ttp) cc_final: 0.5815 (tmm) REVERT: FU 1 MET cc_start: 0.7071 (ptp) cc_final: 0.6429 (ptt) REVERT: FV 9 LYS cc_start: 0.8777 (tppt) cc_final: 0.8241 (tppt) REVERT: FV 13 ASP cc_start: 0.8454 (m-30) cc_final: 0.7857 (m-30) REVERT: FY 1 MET cc_start: 0.7485 (ptm) cc_final: 0.6822 (ptp) REVERT: F2 1 MET cc_start: 0.7152 (ptm) cc_final: 0.6813 (ptp) REVERT: F2 6 LYS cc_start: 0.9377 (mmmt) cc_final: 0.9088 (mmmm) REVERT: F8 1 MET cc_start: 0.7159 (ppp) cc_final: 0.6385 (ppp) REVERT: F9 1 MET cc_start: 0.7878 (ppp) cc_final: 0.7602 (ppp) REVERT: GA 1 MET cc_start: 0.7431 (ptp) cc_final: 0.7135 (ptt) REVERT: GA 13 ASP cc_start: 0.8985 (m-30) cc_final: 0.8737 (m-30) REVERT: GC 1 MET cc_start: 0.6522 (ppp) cc_final: 0.5344 (ppp) REVERT: GD 1 MET cc_start: 0.7669 (tmm) cc_final: 0.6691 (tmm) REVERT: GK 1 MET cc_start: 0.6642 (ppp) cc_final: 0.5955 (ppp) REVERT: GL 1 MET cc_start: 0.7964 (tmm) cc_final: 0.7258 (tmm) REVERT: GL 9 LYS cc_start: 0.9173 (tmtt) cc_final: 0.8827 (tptp) REVERT: GM 12 LYS cc_start: 0.9073 (pttp) cc_final: 0.8625 (pttm) REVERT: GP 1 MET cc_start: 0.7939 (tmm) cc_final: 0.7646 (tmm) REVERT: GQ 2 GLU cc_start: 0.8380 (pp20) cc_final: 0.8039 (tm-30) REVERT: GQ 12 LYS cc_start: 0.9238 (tttm) cc_final: 0.8896 (ttmt) REVERT: GR 2 GLU cc_start: 0.8305 (tp30) cc_final: 0.8050 (tp30) REVERT: GT 1 MET cc_start: 0.8496 (tmm) cc_final: 0.7981 (tmm) REVERT: GU 1 MET cc_start: 0.7934 (ptm) cc_final: 0.6994 (ptp) REVERT: GU 12 LYS cc_start: 0.9174 (tttm) cc_final: 0.8723 (tptp) REVERT: GX 1 MET cc_start: 0.8318 (tmm) cc_final: 0.7218 (tmm) REVERT: GY 18 PHE cc_start: 0.8565 (t80) cc_final: 0.8328 (t80) REVERT: G0 1 MET cc_start: 0.7199 (ppp) cc_final: 0.6520 (ppp) REVERT: G1 1 MET cc_start: 0.8454 (tmm) cc_final: 0.7913 (tmm) REVERT: G2 1 MET cc_start: 0.6768 (ptm) cc_final: 0.5955 (ptp) REVERT: G3 1 MET cc_start: 0.7825 (tmm) cc_final: 0.6814 (tmm) REVERT: G4 1 MET cc_start: 0.6957 (ppp) cc_final: 0.6506 (ppp) REVERT: G5 1 MET cc_start: 0.7601 (tmm) cc_final: 0.7006 (tmm) REVERT: G6 6 LYS cc_start: 0.9094 (ptpp) cc_final: 0.8841 (mtmm) REVERT: G8 1 MET cc_start: 0.6843 (ppp) cc_final: 0.6561 (ppp) REVERT: HA 1 MET cc_start: 0.6431 (ptp) cc_final: 0.5166 (ptt) REVERT: HA 13 ASP cc_start: 0.8716 (m-30) cc_final: 0.8508 (m-30) REVERT: HB 1 MET cc_start: 0.7034 (pmm) cc_final: 0.6679 (pmm) REVERT: HI 1 MET cc_start: 0.6995 (ptm) cc_final: 0.6715 (ptm) REVERT: HL 1 MET cc_start: 0.8521 (tmm) cc_final: 0.7319 (tmm) REVERT: HM 1 MET cc_start: 0.6579 (ptp) cc_final: 0.6378 (ptp) REVERT: HM 9 LYS cc_start: 0.9136 (ttmm) cc_final: 0.8493 (mtmm) REVERT: HM 12 LYS cc_start: 0.9383 (pttp) cc_final: 0.9147 (pptt) REVERT: HM 13 ASP cc_start: 0.9094 (m-30) cc_final: 0.8482 (m-30) REVERT: HP 1 MET cc_start: 0.8066 (tmm) cc_final: 0.7489 (tmm) REVERT: HP 9 LYS cc_start: 0.9297 (tmtt) cc_final: 0.8946 (tptp) REVERT: HT 1 MET cc_start: 0.8265 (tmm) cc_final: 0.7283 (tmm) REVERT: HV 13 ASP cc_start: 0.8370 (t0) cc_final: 0.7954 (t0) REVERT: HW 1 MET cc_start: 0.6886 (ppp) cc_final: 0.6355 (ppp) REVERT: HX 1 MET cc_start: 0.7997 (ttp) cc_final: 0.7538 (tmm) REVERT: HY 1 MET cc_start: 0.6963 (ptm) cc_final: 0.6396 (ptp) REVERT: HY 13 ASP cc_start: 0.8970 (m-30) cc_final: 0.8752 (m-30) REVERT: HZ 2 GLU cc_start: 0.8394 (tp30) cc_final: 0.8141 (tp30) REVERT: H1 1 MET cc_start: 0.8027 (tmm) cc_final: 0.7440 (tmm) REVERT: H1 10 PHE cc_start: 0.8881 (t80) cc_final: 0.8634 (t80) REVERT: H2 1 MET cc_start: 0.5598 (ptm) cc_final: 0.4623 (ptp) REVERT: H3 6 LYS cc_start: 0.8743 (pttt) cc_final: 0.7936 (pttt) REVERT: H7 1 MET cc_start: 0.6826 (pmm) cc_final: 0.6326 (pmm) REVERT: H8 2 GLU cc_start: 0.8022 (tm-30) cc_final: 0.7408 (mp0) REVERT: H8 8 PHE cc_start: 0.8775 (t80) cc_final: 0.8500 (t80) REVERT: H9 4 VAL cc_start: 0.8868 (t) cc_final: 0.8469 (p) REVERT: H9 9 LYS cc_start: 0.9418 (tmtt) cc_final: 0.9161 (tptp) REVERT: IA 1 MET cc_start: 0.7556 (ptm) cc_final: 0.6442 (ptt) REVERT: IA 17 LYS cc_start: 0.8453 (ttpt) cc_final: 0.7455 (mmmt) REVERT: IC 1 MET cc_start: 0.6928 (ppp) cc_final: 0.6540 (ppp) REVERT: ID 4 VAL cc_start: 0.8774 (p) cc_final: 0.8522 (t) REVERT: IE 1 MET cc_start: 0.5724 (ptm) cc_final: 0.4931 (ptp) REVERT: IF 1 MET cc_start: 0.6926 (tmm) cc_final: 0.6213 (tmm) REVERT: II 1 MET cc_start: 0.5748 (ptm) cc_final: 0.4623 (ptp) REVERT: IL 1 MET cc_start: 0.7093 (tmm) cc_final: 0.5761 (tmm) REVERT: IM 17 LYS cc_start: 0.8665 (ttmm) cc_final: 0.7994 (tmtt) REVERT: IR 6 LYS cc_start: 0.8282 (tmmt) cc_final: 0.8026 (tmtt) REVERT: IR 17 LYS cc_start: 0.9023 (mtpp) cc_final: 0.8727 (mtmm) REVERT: IS 1 MET cc_start: 0.7552 (ppp) cc_final: 0.6698 (ppp) REVERT: IU 1 MET cc_start: 0.6898 (ptm) cc_final: 0.6507 (ptt) REVERT: IV 6 LYS cc_start: 0.9279 (tppt) cc_final: 0.8960 (mmmt) REVERT: IX 1 MET cc_start: 0.7984 (tmm) cc_final: 0.6822 (tmm) REVERT: IY 12 LYS cc_start: 0.9254 (pptt) cc_final: 0.9016 (pttm) REVERT: I1 1 MET cc_start: 0.8090 (tmm) cc_final: 0.7687 (tmm) REVERT: I1 4 VAL cc_start: 0.9350 (t) cc_final: 0.9080 (t) REVERT: I4 1 MET cc_start: 0.6921 (ppp) cc_final: 0.5964 (ppp) REVERT: I5 1 MET cc_start: 0.6878 (ttp) cc_final: 0.5767 (tmm) REVERT: I7 13 ASP cc_start: 0.8459 (m-30) cc_final: 0.8222 (m-30) REVERT: I9 1 MET cc_start: 0.7741 (tmm) cc_final: 0.7234 (tmm) REVERT: I9 9 LYS cc_start: 0.8856 (tmtt) cc_final: 0.8574 (mmtp) REVERT: JA 1 MET cc_start: 0.7459 (ptm) cc_final: 0.6678 (ptp) REVERT: JA 12 LYS cc_start: 0.9295 (pttp) cc_final: 0.8848 (pttm) REVERT: JA 13 ASP cc_start: 0.9164 (m-30) cc_final: 0.8809 (m-30) REVERT: JC 1 MET cc_start: 0.6716 (ppp) cc_final: 0.6211 (ppp) REVERT: JD 9 LYS cc_start: 0.9347 (tttm) cc_final: 0.8754 (tptt) REVERT: JF 1 MET cc_start: 0.7788 (pmm) cc_final: 0.7510 (pmm) REVERT: JH 1 MET cc_start: 0.8434 (tmm) cc_final: 0.8027 (tmm) REVERT: JI 1 MET cc_start: 0.8020 (ptm) cc_final: 0.6961 (pmm) REVERT: JJ 1 MET cc_start: 0.7687 (pmm) cc_final: 0.7472 (pmm) REVERT: JJ 9 LYS cc_start: 0.9338 (tptp) cc_final: 0.9059 (tptp) REVERT: JK 8 PHE cc_start: 0.8207 (t80) cc_final: 0.7601 (t80) REVERT: JM 1 MET cc_start: 0.7806 (ptm) cc_final: 0.7186 (ptt) REVERT: JM 13 ASP cc_start: 0.9207 (m-30) cc_final: 0.8953 (m-30) REVERT: JO 1 MET cc_start: 0.6552 (ppp) cc_final: 0.5496 (ppp) REVERT: JP 1 MET cc_start: 0.7869 (tmm) cc_final: 0.6957 (tmm) REVERT: JP 10 PHE cc_start: 0.8804 (t80) cc_final: 0.8564 (t80) REVERT: JS 1 MET cc_start: 0.6996 (ppp) cc_final: 0.5785 (ppp) REVERT: JW 1 MET cc_start: 0.6546 (ppp) cc_final: 0.5862 (ppp) REVERT: JX 1 MET cc_start: 0.8535 (tmm) cc_final: 0.7703 (tmm) REVERT: JY 12 LYS cc_start: 0.9167 (tttm) cc_final: 0.8800 (pttm) REVERT: JZ 1 MET cc_start: 0.8348 (tmm) cc_final: 0.7744 (tmm) REVERT: J1 1 MET cc_start: 0.8535 (tmm) cc_final: 0.7524 (tmm) REVERT: J3 2 GLU cc_start: 0.8040 (tp30) cc_final: 0.7729 (tp30) REVERT: J5 1 MET cc_start: 0.8335 (tmm) cc_final: 0.7808 (tmm) REVERT: J6 13 ASP cc_start: 0.8747 (m-30) cc_final: 0.8539 (m-30) REVERT: J7 1 MET cc_start: 0.7526 (tmm) cc_final: 0.6543 (tmm) REVERT: J9 1 MET cc_start: 0.8373 (tmm) cc_final: 0.7232 (tmm) REVERT: KA 18 PHE cc_start: 0.8641 (t80) cc_final: 0.8287 (t80) REVERT: KD 1 MET cc_start: 0.8040 (tmm) cc_final: 0.7675 (tmm) REVERT: KE 1 MET cc_start: 0.6699 (ptm) cc_final: 0.5984 (ptt) REVERT: KH 1 MET cc_start: 0.8076 (tmm) cc_final: 0.7790 (ptm) REVERT: KI 6 LYS cc_start: 0.8936 (ptpp) cc_final: 0.8685 (mtmm) REVERT: KK 1 MET cc_start: 0.7386 (ppp) cc_final: 0.6331 (ppp) REVERT: KL 1 MET cc_start: 0.8359 (tmm) cc_final: 0.7714 (tmm) REVERT: KM 1 MET cc_start: 0.6220 (ptp) cc_final: 0.5224 (ptt) REVERT: KN 1 MET cc_start: 0.7082 (tmm) cc_final: 0.6028 (tmm) REVERT: KO 1 MET cc_start: 0.7006 (ppp) cc_final: 0.6000 (ppp) REVERT: KP 1 MET cc_start: 0.7920 (tmm) cc_final: 0.7250 (tmm) REVERT: KS 1 MET cc_start: 0.7568 (ppp) cc_final: 0.7221 (ppp) REVERT: KT 1 MET cc_start: 0.7759 (tmm) cc_final: 0.6682 (tmm) REVERT: KV 6 LYS cc_start: 0.8623 (ttpt) cc_final: 0.8331 (ttpt) REVERT: KW 1 MET cc_start: 0.6558 (ppp) cc_final: 0.5037 (ppp) REVERT: KX 1 MET cc_start: 0.8415 (tmm) cc_final: 0.6596 (tmm) REVERT: KX 9 LYS cc_start: 0.8886 (mtmt) cc_final: 0.8484 (mtmt) REVERT: K0 1 MET cc_start: 0.6883 (ptp) cc_final: 0.6585 (ptt) REVERT: K2 1 MET cc_start: 0.6408 (ptp) cc_final: 0.5706 (ptp) REVERT: K4 1 MET cc_start: 0.5960 (ppp) cc_final: 0.5124 (ppp) REVERT: K5 1 MET cc_start: 0.7766 (tmm) cc_final: 0.6758 (tmm) REVERT: K9 1 MET cc_start: 0.8352 (tmm) cc_final: 0.7807 (tmm) REVERT: LA 1 MET cc_start: 0.7149 (ptm) cc_final: 0.6058 (ptp) REVERT: LD 1 MET cc_start: 0.8249 (tmm) cc_final: 0.7724 (tmm) REVERT: LE 1 MET cc_start: 0.5701 (ptm) cc_final: 0.4715 (ptp) REVERT: LH 1 MET cc_start: 0.8246 (tmm) cc_final: 0.7582 (tmm) REVERT: LI 1 MET cc_start: 0.6662 (ptp) cc_final: 0.6218 (ptp) REVERT: LI 6 LYS cc_start: 0.9283 (mtmm) cc_final: 0.9081 (ptpp) REVERT: LI 12 LYS cc_start: 0.9287 (pptt) cc_final: 0.8168 (tptp) REVERT: LI 13 ASP cc_start: 0.9110 (m-30) cc_final: 0.8721 (m-30) REVERT: LK 2 GLU cc_start: 0.8084 (tm-30) cc_final: 0.7621 (pm20) REVERT: LL 4 VAL cc_start: 0.9095 (t) cc_final: 0.8839 (t) REVERT: LL 9 LYS cc_start: 0.9355 (tmtt) cc_final: 0.9086 (tptp) REVERT: LM 1 MET cc_start: 0.7539 (ptm) cc_final: 0.6889 (ptp) REVERT: LQ 1 MET cc_start: 0.5805 (ptm) cc_final: 0.4780 (ptp) REVERT: LQ 2 GLU cc_start: 0.7874 (pp20) cc_final: 0.7672 (pp20) REVERT: LR 17 LYS cc_start: 0.8687 (mtpp) cc_final: 0.8255 (mmtm) REVERT: LT 9 LYS cc_start: 0.9274 (tmtt) cc_final: 0.9020 (tptp) REVERT: LU 1 MET cc_start: 0.5239 (ptm) cc_final: 0.4714 (ptp) REVERT: LV 6 LYS cc_start: 0.8833 (pttt) cc_final: 0.8479 (mtmt) REVERT: LX 1 MET cc_start: 0.7234 (tmm) cc_final: 0.6637 (tmm) REVERT: LY 1 MET cc_start: 0.6932 (ptm) cc_final: 0.6139 (ptt) REVERT: LY 17 LYS cc_start: 0.8324 (ttmm) cc_final: 0.7412 (tmtt) REVERT: LZ 17 LYS cc_start: 0.7704 (mppt) cc_final: 0.7392 (ptmm) REVERT: L3 6 LYS cc_start: 0.7872 (tmmt) cc_final: 0.7637 (tmtt) REVERT: L4 1 MET cc_start: 0.7203 (ppp) cc_final: 0.6004 (ppp) REVERT: L5 1 MET cc_start: 0.7056 (tmm) cc_final: 0.6287 (tmm) REVERT: L5 9 LYS cc_start: 0.9331 (ttmt) cc_final: 0.9067 (mtpt) REVERT: L6 12 LYS cc_start: 0.9376 (pptt) cc_final: 0.9158 (pptt) REVERT: L7 6 LYS cc_start: 0.9256 (tppt) cc_final: 0.8849 (mmmt) REVERT: L9 1 MET cc_start: 0.7740 (tmm) cc_final: 0.6832 (tmm) REVERT: MB 12 LYS cc_start: 0.8837 (mmtt) cc_final: 0.8512 (mmmt) REVERT: MB 13 ASP cc_start: 0.8209 (m-30) cc_final: 0.7923 (m-30) REVERT: MC 9 LYS cc_start: 0.9632 (mtpt) cc_final: 0.9205 (mmmt) REVERT: ME 12 LYS cc_start: 0.9284 (pttp) cc_final: 0.8908 (pttm) REVERT: MF 17 LYS cc_start: 0.8907 (tttm) cc_final: 0.8508 (pttt) REVERT: MG 1 MET cc_start: 0.7073 (ppp) cc_final: 0.6021 (ppp) REVERT: MJ 1 MET cc_start: 0.8156 (pmm) cc_final: 0.7783 (pmm) REVERT: MJ 6 LYS cc_start: 0.8974 (mtmt) cc_final: 0.8742 (mtmt) REVERT: MJ 9 LYS cc_start: 0.8699 (tptp) cc_final: 0.8162 (tppt) REVERT: MJ 13 ASP cc_start: 0.8511 (m-30) cc_final: 0.8193 (m-30) REVERT: MM 1 MET cc_start: 0.7376 (ptm) cc_final: 0.7049 (ptp) REVERT: MM 12 LYS cc_start: 0.9242 (pttm) cc_final: 0.8840 (pttp) REVERT: MN 17 LYS cc_start: 0.8553 (pptt) cc_final: 0.7855 (pptt) REVERT: MO 1 MET cc_start: 0.7182 (ppp) cc_final: 0.6429 (ppp) REVERT: MP 1 MET cc_start: 0.7476 (tmm) cc_final: 0.7014 (tmm) REVERT: MQ 1 MET cc_start: 0.7335 (ptm) cc_final: 0.6617 (ptp) REVERT: MT 1 MET cc_start: 0.8558 (tmm) cc_final: 0.8055 (tmm) REVERT: MT 21 ASN cc_start: 0.5677 (m-40) cc_final: 0.5223 (m110) REVERT: MW 1 MET cc_start: 0.6609 (ppp) cc_final: 0.5722 (ppp) REVERT: MY 1 MET cc_start: 0.6944 (ptp) cc_final: 0.6123 (ptt) REVERT: M0 1 MET cc_start: 0.6990 (ppp) cc_final: 0.5854 (ppp) REVERT: M1 9 LYS cc_start: 0.9375 (tmtt) cc_final: 0.9155 (tptp) REVERT: M2 18 PHE cc_start: 0.8422 (t80) cc_final: 0.8117 (t80) REVERT: M5 1 MET cc_start: 0.7702 (tmm) cc_final: 0.7451 (tmm) REVERT: M6 13 ASP cc_start: 0.8868 (m-30) cc_final: 0.8594 (m-30) REVERT: M8 1 MET cc_start: 0.6736 (ppp) cc_final: 0.6008 (ppp) REVERT: M9 1 MET cc_start: 0.8555 (tmm) cc_final: 0.7857 (tmm) REVERT: NB 1 MET cc_start: 0.8110 (tmm) cc_final: 0.7731 (tmm) REVERT: ND 1 MET cc_start: 0.8264 (tpp) cc_final: 0.8048 (tpp) REVERT: NF 1 MET cc_start: 0.8123 (pmm) cc_final: 0.7630 (pmm) REVERT: NG 1 MET cc_start: 0.7006 (ppp) cc_final: 0.5641 (ppp) REVERT: NH 1 MET cc_start: 0.8544 (tmm) cc_final: 0.7948 (tmm) REVERT: NI 1 MET cc_start: 0.7905 (ptm) cc_final: 0.6243 (ptp) REVERT: NL 1 MET cc_start: 0.8635 (tmm) cc_final: 0.7277 (tmm) REVERT: NM 18 PHE cc_start: 0.8473 (t80) cc_final: 0.8212 (t80) REVERT: NO 1 MET cc_start: 0.6847 (ppp) cc_final: 0.6182 (ppp) REVERT: NP 1 MET cc_start: 0.8275 (tmm) cc_final: 0.7682 (tmm) REVERT: NS 1 MET cc_start: 0.7194 (ppp) cc_final: 0.6528 (ppp) REVERT: NU 1 MET cc_start: 0.6625 (ptm) cc_final: 0.5915 (ptp) REVERT: NY 1 MET cc_start: 0.7275 (ptm) cc_final: 0.6084 (ptp) REVERT: NY 6 LYS cc_start: 0.9216 (mtmm) cc_final: 0.8747 (pttm) REVERT: N0 1 MET cc_start: 0.7267 (ppp) cc_final: 0.6486 (ppp) REVERT: N2 11 PHE cc_start: 0.7717 (m-10) cc_final: 0.7504 (m-80) REVERT: N2 12 LYS cc_start: 0.9195 (tttm) cc_final: 0.8805 (tptp) REVERT: N5 1 MET cc_start: 0.7848 (tmm) cc_final: 0.7136 (tmm) REVERT: N6 1 MET cc_start: 0.6722 (ptm) cc_final: 0.6235 (ptm) REVERT: N6 13 ASP cc_start: 0.8872 (m-30) cc_final: 0.8588 (m-30) REVERT: N9 1 MET cc_start: 0.8144 (tmm) cc_final: 0.7535 (tmm) REVERT: OA 1 MET cc_start: 0.5597 (ptp) cc_final: 0.4849 (ptp) REVERT: OA 13 ASP cc_start: 0.9029 (m-30) cc_final: 0.8507 (m-30) REVERT: OD 1 MET cc_start: 0.8384 (tmm) cc_final: 0.7302 (tmm) REVERT: OE 6 LYS cc_start: 0.9398 (mtpp) cc_final: 0.8786 (ttmm) REVERT: OG 1 MET cc_start: 0.6435 (ppp) cc_final: 0.5333 (ppp) REVERT: OH 1 MET cc_start: 0.8265 (tmm) cc_final: 0.7147 (tmm) REVERT: OK 1 MET cc_start: 0.7042 (ppp) cc_final: 0.5855 (ppp) REVERT: OM 1 MET cc_start: 0.7289 (ptm) cc_final: 0.6416 (ptp) REVERT: OM 6 LYS cc_start: 0.9333 (mtmm) cc_final: 0.9126 (mtmm) REVERT: OM 13 ASP cc_start: 0.9164 (m-30) cc_final: 0.8925 (m-30) REVERT: ON 6 LYS cc_start: 0.8984 (tmmt) cc_final: 0.8764 (ttpp) REVERT: OP 1 MET cc_start: 0.8181 (tmm) cc_final: 0.7539 (tmm) REVERT: OQ 1 MET cc_start: 0.5965 (ptm) cc_final: 0.5759 (ptm) REVERT: OT 1 MET cc_start: 0.8333 (tmm) cc_final: 0.7851 (tmm) REVERT: OW 1 MET cc_start: 0.6284 (ppp) cc_final: 0.5581 (ppp) REVERT: OY 1 MET cc_start: 0.7635 (ptm) cc_final: 0.7151 (ptm) REVERT: O2 1 MET cc_start: 0.5912 (ptt) cc_final: 0.5214 (ptp) REVERT: O3 1 MET cc_start: 0.6828 (pmm) cc_final: 0.6436 (pmm) REVERT: O3 17 LYS cc_start: 0.8692 (mtpp) cc_final: 0.8447 (mmtm) REVERT: O8 1 MET cc_start: 0.7235 (ppp) cc_final: 0.6610 (ppp) REVERT: O9 1 MET cc_start: 0.7677 (tmm) cc_final: 0.6663 (tmm) REVERT: PA 1 MET cc_start: 0.7064 (ptm) cc_final: 0.6411 (ptt) REVERT: PA 9 LYS cc_start: 0.7276 (tptp) cc_final: 0.6518 (tptp) REVERT: PA 13 ASP cc_start: 0.8660 (m-30) cc_final: 0.7660 (m-30) REVERT: PE 11 PHE cc_start: 0.7811 (m-80) cc_final: 0.7524 (m-80) REVERT: PF 17 LYS cc_start: 0.8933 (mtpp) cc_final: 0.8623 (mtmm) REVERT: PG 1 MET cc_start: 0.7552 (ppp) cc_final: 0.6446 (ppp) REVERT: PH 1 MET cc_start: 0.7702 (tmm) cc_final: 0.7155 (tmm) REVERT: PJ 1 MET cc_start: 0.7618 (pmm) cc_final: 0.7252 (pmm) REVERT: PL 1 MET cc_start: 0.8043 (tmm) cc_final: 0.6902 (tmm) REVERT: PN 12 LYS cc_start: 0.8991 (mmtt) cc_final: 0.8699 (tppt) REVERT: PO 9 LYS cc_start: 0.9560 (mtpt) cc_final: 0.9082 (mmmm) REVERT: PP 1 MET cc_start: 0.8127 (tmm) cc_final: 0.7204 (tmm) REVERT: PP 4 VAL cc_start: 0.9243 (t) cc_final: 0.8953 (t) REVERT: PQ 17 LYS cc_start: 0.8811 (ttpt) cc_final: 0.8577 (ttpt) REVERT: PU 1 MET cc_start: 0.7573 (ptm) cc_final: 0.6642 (ptt) REVERT: PX 1 MET cc_start: 0.8443 (tmm) cc_final: 0.7809 (tmm) REVERT: PY 1 MET cc_start: 0.7573 (ptm) cc_final: 0.6807 (ptp) REVERT: PY 12 LYS cc_start: 0.9276 (pttm) cc_final: 0.8943 (pttp) REVERT: P2 1 MET cc_start: 0.7725 (ptm) cc_final: 0.7230 (ptp) REVERT: P4 1 MET cc_start: 0.7919 (ppp) cc_final: 0.7654 (ppp) REVERT: P5 1 MET cc_start: 0.8561 (tmm) cc_final: 0.7690 (tmm) REVERT: P6 1 MET cc_start: 0.8083 (ptm) cc_final: 0.7056 (pmm) REVERT: P8 1 MET cc_start: 0.7138 (ppp) cc_final: 0.6593 (ppp) REVERT: P8 8 PHE cc_start: 0.8624 (t80) cc_final: 0.8377 (t80) REVERT: QA 13 ASP cc_start: 0.9120 (m-30) cc_final: 0.8893 (m-30) REVERT: QD 1 MET cc_start: 0.7561 (tmm) cc_final: 0.6777 (tmm) REVERT: QE 1 MET cc_start: 0.7362 (ptp) cc_final: 0.6769 (ptt) REVERT: QH 1 MET cc_start: 0.8211 (tmm) cc_final: 0.7877 (tmm) REVERT: QI 13 ASP cc_start: 0.9009 (m-30) cc_final: 0.8782 (m-30) REVERT: QK 1 MET cc_start: 0.6707 (ppp) cc_final: 0.5969 (ppp) REVERT: QM 12 LYS cc_start: 0.9218 (tmtt) cc_final: 0.8838 (pttm) REVERT: QO 1 MET cc_start: 0.6939 (ppp) cc_final: 0.6630 (ppp) REVERT: QO 8 PHE cc_start: 0.8194 (t80) cc_final: 0.7899 (t80) REVERT: QP 1 MET cc_start: 0.7631 (ttp) cc_final: 0.7246 (tmm) REVERT: QQ 6 LYS cc_start: 0.9295 (mppt) cc_final: 0.8970 (mmmm) REVERT: QT 1 MET cc_start: 0.8782 (tmm) cc_final: 0.7934 (tmm) REVERT: QU 1 MET cc_start: 0.8042 (ptm) cc_final: 0.6537 (ptp) REVERT: QW 1 MET cc_start: 0.6738 (ppp) cc_final: 0.5629 (ppp) REVERT: Q0 1 MET cc_start: 0.7433 (ppp) cc_final: 0.6711 (ppp) REVERT: Q1 1 MET cc_start: 0.8412 (tmm) cc_final: 0.7663 (tmm) REVERT: Q3 1 MET cc_start: 0.7543 (pmm) cc_final: 0.7218 (pmm) REVERT: Q4 1 MET cc_start: 0.6869 (ppp) cc_final: 0.6305 (ppp) REVERT: Q6 1 MET cc_start: 0.6573 (ptp) cc_final: 0.6085 (ptt) REVERT: Q8 1 MET cc_start: 0.7187 (ppp) cc_final: 0.5924 (ppp) REVERT: Q8 2 GLU cc_start: 0.8653 (tm-30) cc_final: 0.8404 (tm-30) REVERT: Q9 9 LYS cc_start: 0.9262 (tppp) cc_final: 0.8667 (tppt) REVERT: RA 13 ASP cc_start: 0.8631 (m-30) cc_final: 0.8310 (m-30) REVERT: RB 1 MET cc_start: 0.7423 (pmm) cc_final: 0.7038 (pmm) REVERT: RC 1 MET cc_start: 0.7066 (ppp) cc_final: 0.6553 (ppp) REVERT: RC 8 PHE cc_start: 0.8108 (t80) cc_final: 0.7272 (t80) REVERT: RE 12 LYS cc_start: 0.9183 (tttm) cc_final: 0.8840 (tptp) REVERT: RF 6 LYS cc_start: 0.9464 (mttt) cc_final: 0.9247 (mmtp) REVERT: RF 17 LYS cc_start: 0.8622 (mtpp) cc_final: 0.8384 (mtmm) REVERT: RG 1 MET cc_start: 0.7565 (ppp) cc_final: 0.7233 (ppp) REVERT: RH 1 MET cc_start: 0.7545 (tmm) cc_final: 0.7228 (tmm) REVERT: RH 9 LYS cc_start: 0.9280 (tmtt) cc_final: 0.8931 (tptp) REVERT: RL 1 MET cc_start: 0.8457 (tmm) cc_final: 0.7210 (tmm) REVERT: RM 1 MET cc_start: 0.6338 (ptm) cc_final: 0.5903 (ptp) REVERT: RM 9 LYS cc_start: 0.9120 (ttmm) cc_final: 0.8797 (mtmm) REVERT: RP 1 MET cc_start: 0.8385 (tmm) cc_final: 0.7480 (tmm) REVERT: RP 9 LYS cc_start: 0.9306 (tmtt) cc_final: 0.9076 (tptm) REVERT: RQ 13 ASP cc_start: 0.8953 (m-30) cc_final: 0.8735 (m-30) REVERT: RR 12 LYS cc_start: 0.8877 (tppt) cc_final: 0.8675 (tppt) REVERT: RS 1 MET cc_start: 0.5776 (ppp) cc_final: 0.4954 (ppp) REVERT: RT 1 MET cc_start: 0.7852 (tmm) cc_final: 0.7056 (tmm) REVERT: RT 10 PHE cc_start: 0.8683 (t80) cc_final: 0.8450 (t80) REVERT: RU 12 LYS cc_start: 0.9200 (pptt) cc_final: 0.8896 (pptt) REVERT: RY 1 MET cc_start: 0.6516 (ptm) cc_final: 0.5367 (ptp) REVERT: RY 6 LYS cc_start: 0.8999 (mtmm) cc_final: 0.8697 (ptpp) REVERT: RY 13 ASP cc_start: 0.9018 (m-30) cc_final: 0.8787 (m-30) REVERT: RZ 6 LYS cc_start: 0.9104 (tmmt) cc_final: 0.8827 (ttpp) REVERT: RZ 12 LYS cc_start: 0.9226 (pttt) cc_final: 0.8936 (tptp) REVERT: R1 1 MET cc_start: 0.8106 (tmm) cc_final: 0.7471 (tmm) REVERT: R2 12 LYS cc_start: 0.9178 (tttm) cc_final: 0.8877 (ptmm) REVERT: R3 1 MET cc_start: 0.5904 (pmm) cc_final: 0.5637 (pmm) REVERT: R3 6 LYS cc_start: 0.8758 (pttt) cc_final: 0.8160 (pmtt) REVERT: R3 12 LYS cc_start: 0.8750 (mmtt) cc_final: 0.8334 (mptt) REVERT: R5 1 MET cc_start: 0.8395 (tmm) cc_final: 0.7547 (tmm) REVERT: R6 1 MET cc_start: 0.6900 (pmm) cc_final: 0.6399 (ptt) REVERT: R8 1 MET cc_start: 0.6249 (ppp) cc_final: 0.5579 (ppp) REVERT: R9 1 MET cc_start: 0.7884 (tmm) cc_final: 0.7283 (tmm) REVERT: R9 9 LYS cc_start: 0.9398 (tmtt) cc_final: 0.9095 (tptp) REVERT: SA 1 MET cc_start: 0.7413 (ptm) cc_final: 0.6667 (ptp) REVERT: SD 1 MET cc_start: 0.6797 (tmm) cc_final: 0.6411 (tmm) REVERT: SE 1 MET cc_start: 0.5690 (ptm) cc_final: 0.4901 (ptp) REVERT: SF 1 MET cc_start: 0.6858 (tmm) cc_final: 0.6572 (tmm) REVERT: SH 1 MET cc_start: 0.6420 (tmm) cc_final: 0.6185 (tmm) REVERT: SH 4 VAL cc_start: 0.9082 (t) cc_final: 0.8859 (t) REVERT: SI 1 MET cc_start: 0.4979 (ptm) cc_final: 0.4158 (ptp) REVERT: SK 1 MET cc_start: 0.7397 (ppp) cc_final: 0.7050 (ppp) REVERT: SL 1 MET cc_start: 0.7356 (tmm) cc_final: 0.6714 (tmm) REVERT: SL 10 PHE cc_start: 0.7692 (t80) cc_final: 0.7034 (m-10) REVERT: SM 1 MET cc_start: 0.6782 (ptm) cc_final: 0.6308 (ptt) REVERT: SM 13 ASP cc_start: 0.8914 (m-30) cc_final: 0.8690 (m-30) REVERT: SM 17 LYS cc_start: 0.8684 (ttmm) cc_final: 0.8173 (tmtt) REVERT: SO 1 MET cc_start: 0.7604 (ppp) cc_final: 0.6443 (ppp) REVERT: SP 1 MET cc_start: 0.7954 (tmm) cc_final: 0.7062 (tmm) REVERT: SS 1 MET cc_start: 0.7654 (ppp) cc_final: 0.6395 (ppp) REVERT: ST 1 MET cc_start: 0.7298 (tmm) cc_final: 0.6548 (tmm) REVERT: SV 1 MET cc_start: 0.7913 (pmm) cc_final: 0.7440 (pmm) REVERT: SX 1 MET cc_start: 0.8319 (tmm) cc_final: 0.7468 (tmm) REVERT: SY 2 GLU cc_start: 0.8145 (pp20) cc_final: 0.7941 (pm20) REVERT: S2 1 MET cc_start: 0.7147 (ptm) cc_final: 0.6842 (ptp) REVERT: S4 1 MET cc_start: 0.7109 (ppp) cc_final: 0.6859 (ppp) REVERT: S5 1 MET cc_start: 0.7132 (ttp) cc_final: 0.6498 (tmm) REVERT: S7 6 LYS cc_start: 0.8829 (mtmt) cc_final: 0.8499 (ptmm) REVERT: TA 1 MET cc_start: 0.7768 (ptm) cc_final: 0.6180 (pmm) REVERT: TA 6 LYS cc_start: 0.9015 (ptpp) cc_final: 0.8795 (mtmm) REVERT: TA 12 LYS cc_start: 0.9129 (pttp) cc_final: 0.8831 (pttp) REVERT: TB 13 ASP cc_start: 0.7771 (p0) cc_final: 0.6787 (p0) REVERT: TB 17 LYS cc_start: 0.8786 (pttp) cc_final: 0.8452 (pttt) REVERT: TH 1 MET cc_start: 0.8519 (tmm) cc_final: 0.7434 (tmm) REVERT: TI 1 MET cc_start: 0.7747 (ptm) cc_final: 0.6950 (pmm) REVERT: TL 1 MET cc_start: 0.7996 (tmm) cc_final: 0.6718 (tmm) REVERT: TM 1 MET cc_start: 0.7042 (ptp) cc_final: 0.6082 (ptt) REVERT: TM 13 ASP cc_start: 0.9116 (m-30) cc_final: 0.8811 (m-30) REVERT: TP 9 LYS cc_start: 0.9303 (tmtt) cc_final: 0.9093 (tptp) REVERT: TR 17 LYS cc_start: 0.8631 (ptmm) cc_final: 0.8258 (ptmm) REVERT: TS 1 MET cc_start: 0.6393 (ppp) cc_final: 0.5012 (ppp) REVERT: TT 9 LYS cc_start: 0.9293 (ttmm) cc_final: 0.9070 (mmmm) REVERT: TU 13 ASP cc_start: 0.9022 (m-30) cc_final: 0.8809 (m-30) REVERT: TV 1 MET cc_start: 0.7290 (tmm) cc_final: 0.6997 (tmm) REVERT: TW 1 MET cc_start: 0.6539 (ppp) cc_final: 0.5587 (ppp) REVERT: TX 9 LYS cc_start: 0.9049 (tttm) cc_final: 0.8644 (tmtt) REVERT: TY 13 ASP cc_start: 0.8987 (m-30) cc_final: 0.8719 (m-30) REVERT: TZ 1 MET cc_start: 0.6651 (tmm) cc_final: 0.6321 (tmm) REVERT: T0 1 MET cc_start: 0.6827 (ppp) cc_final: 0.5566 (ppp) REVERT: T1 1 MET cc_start: 0.7618 (ttp) cc_final: 0.6877 (tmm) REVERT: T2 18 PHE cc_start: 0.8622 (t80) cc_final: 0.8401 (t80) REVERT: T5 1 MET cc_start: 0.8488 (tmm) cc_final: 0.7736 (tmm) REVERT: T6 1 MET cc_start: 0.7740 (ptm) cc_final: 0.6670 (ptp) REVERT: T9 1 MET cc_start: 0.8206 (tmm) cc_final: 0.6539 (tmm) REVERT: UC 1 MET cc_start: 0.7181 (ppp) cc_final: 0.6116 (ppp) REVERT: UD 1 MET cc_start: 0.8405 (tmm) cc_final: 0.8062 (tmm) REVERT: UE 1 MET cc_start: 0.7237 (ptm) cc_final: 0.6347 (ptp) REVERT: UE 13 ASP cc_start: 0.9210 (m-30) cc_final: 0.8732 (m-30) REVERT: UG 1 MET cc_start: 0.7089 (ppp) cc_final: 0.6632 (ppp) REVERT: UH 3 PHE cc_start: 0.8021 (m-10) cc_final: 0.7812 (m-10) REVERT: UK 1 MET cc_start: 0.7216 (ppp) cc_final: 0.6221 (ppp) REVERT: UL 1 MET cc_start: 0.7815 (tmm) cc_final: 0.7436 (tmm) REVERT: UN 1 MET cc_start: 0.6926 (ppp) cc_final: 0.6256 (ppp) REVERT: UO 1 MET cc_start: 0.6878 (ppp) cc_final: 0.5889 (ppp) REVERT: UP 1 MET cc_start: 0.7599 (tmm) cc_final: 0.6432 (tmm) REVERT: UQ 12 LYS cc_start: 0.9249 (tttm) cc_final: 0.8997 (tptp) REVERT: US 1 MET cc_start: 0.7751 (ppp) cc_final: 0.6924 (ppp) REVERT: UT 9 LYS cc_start: 0.9197 (tptm) cc_final: 0.8952 (tptp) REVERT: UU 9 LYS cc_start: 0.8963 (tppt) cc_final: 0.8669 (tppt) REVERT: UU 13 ASP cc_start: 0.8687 (m-30) cc_final: 0.8438 (m-30) REVERT: UX 1 MET cc_start: 0.8208 (tmm) cc_final: 0.6707 (tmm) REVERT: UY 12 LYS cc_start: 0.9404 (pttp) cc_final: 0.9120 (pptt) REVERT: UY 13 ASP cc_start: 0.8934 (m-30) cc_final: 0.8275 (m-30) REVERT: UZ 12 LYS cc_start: 0.8869 (mmpt) cc_final: 0.8557 (mmtm) REVERT: U0 8 PHE cc_start: 0.8384 (t80) cc_final: 0.7793 (t80) REVERT: U1 1 MET cc_start: 0.7972 (tmm) cc_final: 0.6510 (tmm) REVERT: U1 9 LYS cc_start: 0.9265 (tmtt) cc_final: 0.9006 (tptp) REVERT: U2 9 LYS cc_start: 0.9251 (mtmm) cc_final: 0.8791 (mtmm) REVERT: U2 13 ASP cc_start: 0.9059 (m-30) cc_final: 0.8792 (m-30) REVERT: U3 6 LYS cc_start: 0.8831 (tmmt) cc_final: 0.8620 (tttt) REVERT: U4 1 MET cc_start: 0.6129 (ppp) cc_final: 0.5174 (ppp) REVERT: U5 1 MET cc_start: 0.8049 (tmm) cc_final: 0.6482 (tmm) REVERT: U9 1 MET cc_start: 0.8425 (tmm) cc_final: 0.7715 (tmm) REVERT: VA 1 MET cc_start: 0.6606 (ptm) cc_final: 0.6377 (ptm) REVERT: VA 13 ASP cc_start: 0.9139 (m-30) cc_final: 0.8929 (m-30) REVERT: VC 1 MET cc_start: 0.4037 (ptt) cc_final: 0.3684 (ptt) REVERT: VD 1 MET cc_start: 0.8095 (tmm) cc_final: 0.7460 (tmm) REVERT: VE 1 MET cc_start: 0.5515 (ptm) cc_final: 0.4683 (ptt) REVERT: VG 1 MET cc_start: 0.6432 (ppp) cc_final: 0.5149 (ppp) REVERT: VH 1 MET cc_start: 0.8158 (tmm) cc_final: 0.7131 (tmm) REVERT: VK 1 MET cc_start: 0.6481 (ppp) cc_final: 0.6228 (ppp) REVERT: VL 1 MET cc_start: 0.7608 (tmm) cc_final: 0.7304 (tmm) REVERT: VL 9 LYS cc_start: 0.9328 (tmtt) cc_final: 0.9118 (tptp) REVERT: VM 17 LYS cc_start: 0.8905 (ttpt) cc_final: 0.8237 (mmmt) REVERT: VQ 1 MET cc_start: 0.6180 (ptm) cc_final: 0.5054 (ptp) REVERT: VQ 2 GLU cc_start: 0.7859 (pp20) cc_final: 0.7603 (pp20) REVERT: VU 12 LYS cc_start: 0.9192 (tmtt) cc_final: 0.8895 (tptp) outliers start: 0 outliers final: 0 residues processed: 4626 average time/residue: 1.3169 time to fit residues: 10432.4765 Evaluate side-chains 3634 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3634 time to evaluate : 12.178 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1472 optimal weight: 2.9990 chunk 1551 optimal weight: 2.9990 chunk 1415 optimal weight: 4.9990 chunk 1508 optimal weight: 2.9990 chunk 1550 optimal weight: 6.9990 chunk 908 optimal weight: 6.9990 chunk 657 optimal weight: 0.8980 chunk 1184 optimal weight: 9.9990 chunk 463 optimal weight: 0.9990 chunk 1363 optimal weight: 3.9990 chunk 1427 optimal weight: 0.0670 overall best weight: 1.5924 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: b 21 ASN CV 21 ASN F7 21 ASN F9 21 ASN H2 21 ASN TH 21 ASN UH 21 ASN Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8020 moved from start: 0.6636 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.038 151200 Z= 0.197 Angle : 0.614 13.514 198240 Z= 0.293 Chirality : 0.029 0.246 20160 Planarity : 0.002 0.019 23520 Dihedral : 4.261 21.423 16800 Min Nonbonded Distance : 2.157 Molprobity Statistics. All-atom Clashscore : 16.06 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.51 % Favored : 99.49 % Rotamer: Outliers : 0.00 % Allowed : 1.00 % Favored : 99.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.78 (0.06), residues: 15960 helix: 1.70 (0.04), residues: 13330 sheet: None (None), residues: 0 loop : -1.48 (0.10), residues: 2630 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.044 0.002 PHEVQ 11 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4717 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4717 time to evaluate : 16.792 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: B 1 MET cc_start: 0.8423 (tmm) cc_final: 0.7349 (tmm) REVERT: C 9 LYS cc_start: 0.8617 (tppt) cc_final: 0.8251 (tppt) REVERT: D 2 GLU cc_start: 0.7979 (pp20) cc_final: 0.7620 (tp30) REVERT: E 1 MET cc_start: 0.7508 (ppp) cc_final: 0.6674 (ppp) REVERT: F 1 MET cc_start: 0.7073 (tmm) cc_final: 0.6660 (tmm) REVERT: G 1 MET cc_start: 0.6902 (ptm) cc_final: 0.6429 (ptt) REVERT: G 13 ASP cc_start: 0.8761 (m-30) cc_final: 0.8405 (m-30) REVERT: G 17 LYS cc_start: 0.9019 (ttmm) cc_final: 0.8365 (tmtt) REVERT: I 2 GLU cc_start: 0.9029 (tm-30) cc_final: 0.8792 (tp30) REVERT: J 10 PHE cc_start: 0.8191 (t80) cc_final: 0.7964 (t80) REVERT: L 6 LYS cc_start: 0.7921 (tmmt) cc_final: 0.7468 (tmtt) REVERT: L 17 LYS cc_start: 0.8930 (mtpp) cc_final: 0.8680 (mtmm) REVERT: M 1 MET cc_start: 0.7387 (ppp) cc_final: 0.6020 (ppp) REVERT: N 1 MET cc_start: 0.7400 (tmm) cc_final: 0.7153 (tmm) REVERT: O 1 MET cc_start: 0.7351 (ptm) cc_final: 0.6897 (ptt) REVERT: O 11 PHE cc_start: 0.7734 (m-10) cc_final: 0.7514 (m-80) REVERT: R 1 MET cc_start: 0.7951 (tmm) cc_final: 0.6593 (tmm) REVERT: W 6 LYS cc_start: 0.9168 (ptpp) cc_final: 0.8947 (pttp) REVERT: Y 1 MET cc_start: 0.7370 (ppp) cc_final: 0.7065 (ppp) REVERT: Y 9 LYS cc_start: 0.9579 (mtpt) cc_final: 0.9288 (mmmt) REVERT: 0 1 MET cc_start: 0.7639 (ptm) cc_final: 0.7082 (ptt) REVERT: 4 1 MET cc_start: 0.7479 (ptm) cc_final: 0.6960 (ptp) REVERT: 5 1 MET cc_start: 0.8223 (tmm) cc_final: 0.7166 (tmm) REVERT: 6 1 MET cc_start: 0.6339 (ppp) cc_final: 0.5890 (ppp) REVERT: 7 1 MET cc_start: 0.7757 (tmm) cc_final: 0.7273 (tmm) REVERT: 9 12 LYS cc_start: 0.9066 (pttm) cc_final: 0.8836 (ttmm) REVERT: b 1 MET cc_start: 0.8287 (tmm) cc_final: 0.7845 (tmm) REVERT: b 9 LYS cc_start: 0.8752 (tmtt) cc_final: 0.8505 (tptp) REVERT: c 12 LYS cc_start: 0.9218 (pttm) cc_final: 0.8970 (pttm) REVERT: g 12 LYS cc_start: 0.9474 (tmtt) cc_final: 0.9223 (pttm) REVERT: i 1 MET cc_start: 0.6668 (ppp) cc_final: 0.6362 (ppp) REVERT: j 1 MET cc_start: 0.7866 (tmm) cc_final: 0.7444 (ppp) REVERT: o 18 PHE cc_start: 0.8478 (t80) cc_final: 0.8231 (t80) REVERT: p 1 MET cc_start: 0.6600 (ptp) cc_final: 0.5471 (ptp) REVERT: q 1 MET cc_start: 0.6496 (ppp) cc_final: 0.5849 (ppp) REVERT: u 8 PHE cc_start: 0.8297 (t80) cc_final: 0.7967 (t80) REVERT: v 1 MET cc_start: 0.8560 (tmm) cc_final: 0.7818 (tmm) REVERT: w 1 MET cc_start: 0.7732 (ptm) cc_final: 0.6719 (ptt) REVERT: y 1 MET cc_start: 0.6766 (ppp) cc_final: 0.6111 (ptp) REVERT: AB 13 ASP cc_start: 0.7721 (t0) cc_final: 0.7490 (t0) REVERT: AD 1 MET cc_start: 0.8364 (tmm) cc_final: 0.7647 (tmm) REVERT: AE 1 MET cc_start: 0.6742 (ptm) cc_final: 0.6066 (ptp) REVERT: AG 1 MET cc_start: 0.6986 (ppp) cc_final: 0.6590 (ppp) REVERT: AK 1 MET cc_start: 0.6952 (ppp) cc_final: 0.5615 (ppp) REVERT: AN 1 MET cc_start: 0.7626 (pmm) cc_final: 0.7339 (pmm) REVERT: AO 1 MET cc_start: 0.6891 (ppp) cc_final: 0.5946 (ppp) REVERT: AP 1 MET cc_start: 0.7976 (tmm) cc_final: 0.7225 (tmm) REVERT: AQ 12 LYS cc_start: 0.9211 (tttm) cc_final: 0.8892 (tptp) REVERT: AS 1 MET cc_start: 0.7623 (ppp) cc_final: 0.7229 (ppp) REVERT: AT 1 MET cc_start: 0.7834 (tmm) cc_final: 0.7149 (tmm) REVERT: AU 6 LYS cc_start: 0.9256 (mtmm) cc_final: 0.8935 (ptpp) REVERT: AU 13 ASP cc_start: 0.8823 (m-30) cc_final: 0.8409 (m-30) REVERT: AX 1 MET cc_start: 0.7966 (tmm) cc_final: 0.6807 (tmm) REVERT: AY 1 MET cc_start: 0.6482 (ptm) cc_final: 0.5463 (ptp) REVERT: AY 9 LYS cc_start: 0.9025 (ttmm) cc_final: 0.8712 (mtmm) REVERT: AZ 12 LYS cc_start: 0.9088 (tptt) cc_final: 0.8775 (tppt) REVERT: A1 1 MET cc_start: 0.7608 (ttp) cc_final: 0.7101 (tmm) REVERT: A3 2 GLU cc_start: 0.7102 (tp30) cc_final: 0.6875 (tp30) REVERT: A4 1 MET cc_start: 0.5897 (ppp) cc_final: 0.4814 (ppp) REVERT: A6 3 PHE cc_start: 0.7910 (t80) cc_final: 0.7341 (t80) REVERT: A6 17 LYS cc_start: 0.8389 (ttpt) cc_final: 0.7804 (mmmt) REVERT: BA 1 MET cc_start: 0.6126 (ptm) cc_final: 0.4985 (ptt) REVERT: BA 13 ASP cc_start: 0.9051 (m-30) cc_final: 0.8849 (m-30) REVERT: BB 2 GLU cc_start: 0.7855 (tp30) cc_final: 0.7442 (mp0) REVERT: BB 6 LYS cc_start: 0.9005 (tmmt) cc_final: 0.8702 (ttpp) REVERT: BD 1 MET cc_start: 0.7830 (tmm) cc_final: 0.7331 (ppp) REVERT: BE 1 MET cc_start: 0.5526 (ptm) cc_final: 0.4371 (ptp) REVERT: BG 1 MET cc_start: 0.5845 (ppp) cc_final: 0.5292 (ppp) REVERT: BH 1 MET cc_start: 0.8229 (tmm) cc_final: 0.7408 (tmm) REVERT: BI 12 LYS cc_start: 0.9369 (pptt) cc_final: 0.9144 (pptt) REVERT: BK 8 PHE cc_start: 0.8625 (t80) cc_final: 0.7683 (t80) REVERT: BL 1 MET cc_start: 0.8005 (tmm) cc_final: 0.7048 (tmm) REVERT: BL 9 LYS cc_start: 0.9366 (tmtt) cc_final: 0.9091 (tptp) REVERT: BN 6 LYS cc_start: 0.9410 (tttt) cc_final: 0.8815 (ttmt) REVERT: BO 1 MET cc_start: 0.7039 (ppp) cc_final: 0.6616 (ppp) REVERT: BQ 1 MET cc_start: 0.6009 (ptm) cc_final: 0.4990 (ptp) REVERT: BQ 2 GLU cc_start: 0.7917 (pp20) cc_final: 0.7695 (pp20) REVERT: BR 12 LYS cc_start: 0.6450 (tptt) cc_final: 0.5710 (mptt) REVERT: BT 14 LEU cc_start: 0.8761 (tp) cc_final: 0.8448 (tt) REVERT: BU 1 MET cc_start: 0.5353 (ptm) cc_final: 0.4173 (ptp) REVERT: BW 1 MET cc_start: 0.7639 (ppp) cc_final: 0.6542 (ppp) REVERT: BX 1 MET cc_start: 0.7097 (tmm) cc_final: 0.5815 (tmm) REVERT: BX 10 PHE cc_start: 0.8010 (t80) cc_final: 0.7489 (m-10) REVERT: BY 1 MET cc_start: 0.7262 (ptm) cc_final: 0.6586 (ptt) REVERT: BY 17 LYS cc_start: 0.8639 (ttmm) cc_final: 0.8097 (tmtt) REVERT: BZ 6 LYS cc_start: 0.6258 (tmtt) cc_final: 0.5509 (tttt) REVERT: B4 1 MET cc_start: 0.7568 (ppp) cc_final: 0.6754 (ppp) REVERT: B6 11 PHE cc_start: 0.7659 (m-80) cc_final: 0.7120 (m-10) REVERT: B8 9 LYS cc_start: 0.9189 (mmmt) cc_final: 0.8846 (mmmm) REVERT: B9 1 MET cc_start: 0.8173 (tmm) cc_final: 0.7472 (tmm) REVERT: CB 1 MET cc_start: 0.7096 (pmm) cc_final: 0.6728 (pmm) REVERT: CE 12 LYS cc_start: 0.9295 (pptt) cc_final: 0.8973 (pptt) REVERT: CE 13 ASP cc_start: 0.9131 (m-30) cc_final: 0.8793 (m-30) REVERT: CG 1 MET cc_start: 0.6954 (ppp) cc_final: 0.6190 (ppp) REVERT: CH 1 MET cc_start: 0.6719 (ttp) cc_final: 0.5512 (tmm) REVERT: CJ 9 LYS cc_start: 0.9046 (tptp) cc_final: 0.8821 (tptp) REVERT: CM 12 LYS cc_start: 0.9200 (pttp) cc_final: 0.8812 (pttp) REVERT: CQ 1 MET cc_start: 0.7305 (ptm) cc_final: 0.6556 (ptp) REVERT: CS 1 MET cc_start: 0.7766 (ppp) cc_final: 0.7048 (ppp) REVERT: CS 9 LYS cc_start: 0.9676 (mtpt) cc_final: 0.9318 (ttmm) REVERT: CT 1 MET cc_start: 0.8581 (tmm) cc_final: 0.8123 (tmm) REVERT: CV 13 ASP cc_start: 0.8254 (m-30) cc_final: 0.7989 (m-30) REVERT: CW 8 PHE cc_start: 0.8220 (t80) cc_final: 0.7281 (t80) REVERT: CW 9 LYS cc_start: 0.9341 (mmmt) cc_final: 0.8976 (mmtt) REVERT: CY 12 LYS cc_start: 0.9439 (tmtt) cc_final: 0.9169 (pttm) REVERT: C0 1 MET cc_start: 0.6805 (ppp) cc_final: 0.5718 (ppp) REVERT: C1 1 MET cc_start: 0.7580 (tmm) cc_final: 0.6602 (tmm) REVERT: C2 1 MET cc_start: 0.6838 (ptp) cc_final: 0.6494 (ptp) REVERT: C6 13 ASP cc_start: 0.9072 (m-30) cc_final: 0.8789 (m-30) REVERT: C6 18 PHE cc_start: 0.8548 (t80) cc_final: 0.8323 (t80) REVERT: C7 12 LYS cc_start: 0.9191 (tmtt) cc_final: 0.8786 (tptp) REVERT: C8 1 MET cc_start: 0.6484 (ppp) cc_final: 0.5763 (ppp) REVERT: C9 1 MET cc_start: 0.8503 (tmm) cc_final: 0.7831 (tmm) REVERT: DB 1 MET cc_start: 0.7712 (tmm) cc_final: 0.7367 (tmm) REVERT: DE 1 MET cc_start: 0.6406 (ptm) cc_final: 0.5677 (ptt) REVERT: DE 12 LYS cc_start: 0.9314 (tttm) cc_final: 0.8991 (ttmm) REVERT: DF 11 PHE cc_start: 0.8176 (m-80) cc_final: 0.7913 (m-80) REVERT: DG 1 MET cc_start: 0.6932 (ppp) cc_final: 0.6668 (ppp) REVERT: DH 1 MET cc_start: 0.8808 (tmm) cc_final: 0.8188 (tmm) REVERT: DI 1 MET cc_start: 0.8011 (ptm) cc_final: 0.6560 (ptp) REVERT: DJ 1 MET cc_start: 0.8153 (tmm) cc_final: 0.7594 (tmm) REVERT: DM 3 PHE cc_start: 0.7769 (t80) cc_final: 0.7143 (t80) REVERT: DP 1 MET cc_start: 0.8015 (tmm) cc_final: 0.7802 (tmm) REVERT: DQ 1 MET cc_start: 0.6513 (ptp) cc_final: 0.5992 (ptt) REVERT: DR 1 MET cc_start: 0.7189 (tmm) cc_final: 0.6861 (tmm) REVERT: DS 1 MET cc_start: 0.6858 (ppp) cc_final: 0.6490 (ppp) REVERT: DU 6 LYS cc_start: 0.8850 (mtmm) cc_final: 0.8582 (ptpp) REVERT: DU 11 PHE cc_start: 0.7892 (m-10) cc_final: 0.7689 (m-10) REVERT: DX 1 MET cc_start: 0.8105 (tmm) cc_final: 0.7340 (tmm) REVERT: DX 9 LYS cc_start: 0.8806 (tmtt) cc_final: 0.8556 (tptp) REVERT: DY 1 MET cc_start: 0.7375 (ptp) cc_final: 0.6539 (ptt) REVERT: DY 13 ASP cc_start: 0.8859 (m-30) cc_final: 0.8595 (m-30) REVERT: DZ 1 MET cc_start: 0.7326 (pmm) cc_final: 0.7056 (pmm) REVERT: D2 12 LYS cc_start: 0.9244 (tttm) cc_final: 0.8789 (tptp) REVERT: D4 1 MET cc_start: 0.7723 (ppp) cc_final: 0.7311 (ppp) REVERT: D5 1 MET cc_start: 0.7996 (tmm) cc_final: 0.7785 (tmm) REVERT: D5 9 LYS cc_start: 0.9191 (tmtt) cc_final: 0.8904 (tptp) REVERT: D6 1 MET cc_start: 0.6859 (ptm) cc_final: 0.6463 (ptm) REVERT: D9 1 MET cc_start: 0.8079 (tmm) cc_final: 0.7067 (tmm) REVERT: EA 12 LYS cc_start: 0.9300 (pttm) cc_final: 0.9050 (pptt) REVERT: EA 13 ASP cc_start: 0.9111 (m-30) cc_final: 0.8501 (m-30) REVERT: EB 2 GLU cc_start: 0.8618 (tp30) cc_final: 0.8382 (tp30) REVERT: EB 12 LYS cc_start: 0.8932 (tppt) cc_final: 0.8528 (tptt) REVERT: EB 17 LYS cc_start: 0.8979 (mtpp) cc_final: 0.8273 (mmtm) REVERT: EC 8 PHE cc_start: 0.8113 (t80) cc_final: 0.7430 (t80) REVERT: EE 13 ASP cc_start: 0.9088 (m-30) cc_final: 0.8886 (m-30) REVERT: EF 6 LYS cc_start: 0.8944 (ttpt) cc_final: 0.8652 (tttt) REVERT: EG 1 MET cc_start: 0.6207 (ppp) cc_final: 0.5033 (ppp) REVERT: EH 1 MET cc_start: 0.8371 (tmm) cc_final: 0.7462 (tmm) REVERT: EI 1 MET cc_start: 0.6658 (ptp) cc_final: 0.6388 (ptt) REVERT: EJ 12 LYS cc_start: 0.9148 (pptt) cc_final: 0.8934 (tmmt) REVERT: EJ 13 ASP cc_start: 0.8557 (t0) cc_final: 0.8160 (t0) REVERT: EK 1 MET cc_start: 0.6549 (ppp) cc_final: 0.5656 (ppp) REVERT: EM 1 MET cc_start: 0.6367 (ptm) cc_final: 0.5197 (ptp) REVERT: EM 12 LYS cc_start: 0.9209 (pttp) cc_final: 0.8883 (pptt) REVERT: EM 13 ASP cc_start: 0.9236 (m-30) cc_final: 0.8757 (m-30) REVERT: EO 9 LYS cc_start: 0.9396 (mmpt) cc_final: 0.9175 (mmmt) REVERT: EP 1 MET cc_start: 0.7900 (tmm) cc_final: 0.7688 (tmm) REVERT: ET 1 MET cc_start: 0.8409 (tmm) cc_final: 0.7689 (tmm) REVERT: EY 1 MET cc_start: 0.6708 (ptm) cc_final: 0.5590 (ptt) REVERT: E1 9 LYS cc_start: 0.8941 (tmtt) cc_final: 0.8585 (ttmm) REVERT: E2 1 MET cc_start: 0.5274 (ptm) cc_final: 0.4237 (ptt) REVERT: E3 1 MET cc_start: 0.6507 (tmm) cc_final: 0.5871 (tmm) REVERT: E5 14 LEU cc_start: 0.8806 (tp) cc_final: 0.8478 (tt) REVERT: E6 1 MET cc_start: 0.5765 (ptm) cc_final: 0.5053 (ptp) REVERT: E7 6 LYS cc_start: 0.8920 (ptmt) cc_final: 0.8477 (mtmt) REVERT: E8 1 MET cc_start: 0.7580 (ppp) cc_final: 0.6552 (ppp) REVERT: E8 2 GLU cc_start: 0.8850 (tm-30) cc_final: 0.8592 (tm-30) REVERT: E9 1 MET cc_start: 0.7166 (tmm) cc_final: 0.6327 (tmm) REVERT: FA 1 MET cc_start: 0.6652 (ptm) cc_final: 0.5969 (ptt) REVERT: FA 17 LYS cc_start: 0.5886 (ttmt) cc_final: 0.4406 (tmtt) REVERT: FC 1 MET cc_start: 0.7271 (ppp) cc_final: 0.6231 (ppp) REVERT: FD 10 PHE cc_start: 0.8334 (t80) cc_final: 0.7246 (m-10) REVERT: FE 11 PHE cc_start: 0.7759 (m-80) cc_final: 0.7454 (m-80) REVERT: FG 1 MET cc_start: 0.7589 (ppp) cc_final: 0.6611 (ppp) REVERT: FH 1 MET cc_start: 0.7173 (tmm) cc_final: 0.6795 (tmm) REVERT: FH 9 LYS cc_start: 0.8904 (pttm) cc_final: 0.8301 (ptmt) REVERT: FI 1 MET cc_start: 0.7096 (ptm) cc_final: 0.6532 (ptt) REVERT: FI 6 LYS cc_start: 0.8323 (pptt) cc_final: 0.7904 (ptmm) REVERT: FJ 6 LYS cc_start: 0.8961 (mmmt) cc_final: 0.8743 (mmmt) REVERT: FL 1 MET cc_start: 0.8364 (tmm) cc_final: 0.7361 (tmm) REVERT: FO 9 LYS cc_start: 0.9396 (mmmt) cc_final: 0.9168 (mmmm) REVERT: FS 1 MET cc_start: 0.7252 (ppp) cc_final: 0.6337 (ppp) REVERT: FU 1 MET cc_start: 0.7068 (ptp) cc_final: 0.6464 (ptt) REVERT: FV 9 LYS cc_start: 0.8760 (tppt) cc_final: 0.8218 (tppt) REVERT: FV 13 ASP cc_start: 0.8446 (m-30) cc_final: 0.8048 (m-30) REVERT: FX 4 VAL cc_start: 0.9217 (t) cc_final: 0.9017 (t) REVERT: FY 1 MET cc_start: 0.7541 (ptm) cc_final: 0.6777 (ptp) REVERT: FY 12 LYS cc_start: 0.9080 (pttp) cc_final: 0.8811 (pttp) REVERT: FZ 17 LYS cc_start: 0.8618 (pttp) cc_final: 0.8270 (pttp) REVERT: F2 1 MET cc_start: 0.7103 (ptm) cc_final: 0.6782 (ptp) REVERT: F2 6 LYS cc_start: 0.9344 (mmmt) cc_final: 0.9059 (mmmm) REVERT: F5 4 VAL cc_start: 0.9262 (t) cc_final: 0.8973 (p) REVERT: F8 1 MET cc_start: 0.7042 (ppp) cc_final: 0.6319 (ppp) REVERT: GA 1 MET cc_start: 0.7350 (ptp) cc_final: 0.7028 (ptt) REVERT: GA 13 ASP cc_start: 0.8955 (m-30) cc_final: 0.8719 (m-30) REVERT: GC 1 MET cc_start: 0.6410 (ppp) cc_final: 0.5358 (ppp) REVERT: GD 1 MET cc_start: 0.7679 (tmm) cc_final: 0.6748 (tmm) REVERT: GK 1 MET cc_start: 0.6523 (ppp) cc_final: 0.5810 (ppp) REVERT: GL 1 MET cc_start: 0.7989 (tmm) cc_final: 0.7133 (tmm) REVERT: GL 9 LYS cc_start: 0.9151 (tmtt) cc_final: 0.8792 (tptp) REVERT: GM 12 LYS cc_start: 0.9040 (pttp) cc_final: 0.8625 (pttm) REVERT: GQ 12 LYS cc_start: 0.9228 (tttm) cc_final: 0.8893 (ttmt) REVERT: GR 2 GLU cc_start: 0.8225 (tp30) cc_final: 0.7940 (tp30) REVERT: GT 1 MET cc_start: 0.8391 (tmm) cc_final: 0.7999 (tmm) REVERT: GU 1 MET cc_start: 0.7787 (ptm) cc_final: 0.6866 (ptp) REVERT: GU 12 LYS cc_start: 0.9145 (tttm) cc_final: 0.8803 (tptp) REVERT: GX 1 MET cc_start: 0.8410 (tmm) cc_final: 0.7389 (tmm) REVERT: G0 1 MET cc_start: 0.7138 (ppp) cc_final: 0.6501 (ppp) REVERT: G1 1 MET cc_start: 0.8437 (tmm) cc_final: 0.8018 (tmm) REVERT: G2 1 MET cc_start: 0.6856 (ptm) cc_final: 0.6045 (ptp) REVERT: G3 1 MET cc_start: 0.7570 (tmm) cc_final: 0.6858 (tmm) REVERT: G4 1 MET cc_start: 0.7076 (ppp) cc_final: 0.6714 (ppp) REVERT: G5 1 MET cc_start: 0.7413 (tmm) cc_final: 0.6965 (tmm) REVERT: G8 1 MET cc_start: 0.6675 (ppp) cc_final: 0.6391 (ppp) REVERT: HA 1 MET cc_start: 0.6281 (ptp) cc_final: 0.5052 (ptt) REVERT: HA 13 ASP cc_start: 0.8824 (m-30) cc_final: 0.8601 (m-30) REVERT: HB 1 MET cc_start: 0.7117 (pmm) cc_final: 0.6659 (pmm) REVERT: HC 1 MET cc_start: 0.7132 (ppp) cc_final: 0.6274 (ppp) REVERT: HE 11 PHE cc_start: 0.7592 (m-80) cc_final: 0.7370 (m-80) REVERT: HG 1 MET cc_start: 0.7639 (ppp) cc_final: 0.7209 (ppp) REVERT: HH 9 LYS cc_start: 0.9133 (tptm) cc_final: 0.8834 (tptp) REVERT: HI 1 MET cc_start: 0.6677 (ptm) cc_final: 0.6343 (ptm) REVERT: HL 1 MET cc_start: 0.8466 (tmm) cc_final: 0.7279 (tmm) REVERT: HM 9 LYS cc_start: 0.9097 (ttmm) cc_final: 0.8494 (mtmm) REVERT: HM 12 LYS cc_start: 0.9342 (pttp) cc_final: 0.9141 (pptt) REVERT: HM 13 ASP cc_start: 0.9090 (m-30) cc_final: 0.8481 (m-30) REVERT: HP 1 MET cc_start: 0.8013 (tmm) cc_final: 0.7138 (tmm) REVERT: HP 9 LYS cc_start: 0.9294 (tmtt) cc_final: 0.8910 (tptp) REVERT: HQ 6 LYS cc_start: 0.9061 (mtpt) cc_final: 0.8751 (ttmm) REVERT: HQ 12 LYS cc_start: 0.9206 (pptt) cc_final: 0.8998 (pptt) REVERT: HT 1 MET cc_start: 0.8262 (tmm) cc_final: 0.7284 (tmm) REVERT: HV 12 LYS cc_start: 0.9157 (tmmt) cc_final: 0.8949 (tmmt) REVERT: HW 1 MET cc_start: 0.6815 (ppp) cc_final: 0.6310 (ppp) REVERT: HW 8 PHE cc_start: 0.8244 (t80) cc_final: 0.7819 (t80) REVERT: HX 1 MET cc_start: 0.8002 (ttp) cc_final: 0.7555 (tmm) REVERT: HY 1 MET cc_start: 0.7019 (ptm) cc_final: 0.6404 (ptp) REVERT: HY 13 ASP cc_start: 0.8936 (m-30) cc_final: 0.8718 (m-30) REVERT: H1 1 MET cc_start: 0.7988 (tmm) cc_final: 0.7452 (tmm) REVERT: H1 10 PHE cc_start: 0.8868 (t80) cc_final: 0.8585 (t80) REVERT: H2 1 MET cc_start: 0.5473 (ptm) cc_final: 0.4475 (ptp) REVERT: H5 1 MET cc_start: 0.7749 (tmm) cc_final: 0.6927 (tmm) REVERT: H7 1 MET cc_start: 0.6622 (pmm) cc_final: 0.6317 (pmm) REVERT: H8 2 GLU cc_start: 0.8076 (tm-30) cc_final: 0.7428 (mp0) REVERT: H8 8 PHE cc_start: 0.8751 (t80) cc_final: 0.8445 (t80) REVERT: H9 9 LYS cc_start: 0.9391 (tmtt) cc_final: 0.9145 (tptp) REVERT: IA 1 MET cc_start: 0.7371 (ptm) cc_final: 0.6377 (ptt) REVERT: IC 1 MET cc_start: 0.6910 (ppp) cc_final: 0.6533 (ppp) REVERT: IE 1 MET cc_start: 0.5778 (ptm) cc_final: 0.4685 (ptp) REVERT: IF 1 MET cc_start: 0.6773 (tmm) cc_final: 0.6084 (tmm) REVERT: II 1 MET cc_start: 0.5598 (ptm) cc_final: 0.4626 (ptp) REVERT: II 6 LYS cc_start: 0.9511 (ptpp) cc_final: 0.9222 (mtmm) REVERT: IL 1 MET cc_start: 0.7042 (tmm) cc_final: 0.5704 (tmm) REVERT: IM 17 LYS cc_start: 0.8611 (ttmm) cc_final: 0.7907 (tmtt) REVERT: IR 6 LYS cc_start: 0.8042 (tmmt) cc_final: 0.7699 (tmtt) REVERT: IR 17 LYS cc_start: 0.8977 (mtpp) cc_final: 0.8467 (mmtm) REVERT: IS 1 MET cc_start: 0.7629 (ppp) cc_final: 0.6550 (ppp) REVERT: IU 1 MET cc_start: 0.6877 (ptm) cc_final: 0.6246 (ptt) REVERT: IV 6 LYS cc_start: 0.9150 (tppt) cc_final: 0.8867 (mmmt) REVERT: IX 1 MET cc_start: 0.7954 (tmm) cc_final: 0.6782 (tmm) REVERT: IY 12 LYS cc_start: 0.9268 (pptt) cc_final: 0.9012 (pttm) REVERT: I1 1 MET cc_start: 0.8002 (tmm) cc_final: 0.7687 (tmm) REVERT: I1 4 VAL cc_start: 0.9350 (t) cc_final: 0.9079 (t) REVERT: I4 1 MET cc_start: 0.6826 (ppp) cc_final: 0.5841 (ppp) REVERT: I5 1 MET cc_start: 0.6653 (ttp) cc_final: 0.5509 (tmm) REVERT: I7 9 LYS cc_start: 0.8787 (tppt) cc_final: 0.8324 (tppt) REVERT: I7 13 ASP cc_start: 0.8478 (m-30) cc_final: 0.8046 (m-30) REVERT: I9 1 MET cc_start: 0.7602 (tmm) cc_final: 0.7129 (tmm) REVERT: JA 1 MET cc_start: 0.7558 (ptm) cc_final: 0.6502 (ptp) REVERT: JA 12 LYS cc_start: 0.9241 (pttp) cc_final: 0.8928 (pttm) REVERT: JA 13 ASP cc_start: 0.9129 (m-30) cc_final: 0.8899 (m-30) REVERT: JC 1 MET cc_start: 0.6618 (ppp) cc_final: 0.6113 (ppp) REVERT: JD 9 LYS cc_start: 0.9356 (tttm) cc_final: 0.8749 (tptt) REVERT: JE 13 ASP cc_start: 0.8943 (m-30) cc_final: 0.8434 (t0) REVERT: JF 1 MET cc_start: 0.7808 (pmm) cc_final: 0.7497 (pmm) REVERT: JH 1 MET cc_start: 0.8384 (tmm) cc_final: 0.8020 (tmm) REVERT: JI 1 MET cc_start: 0.8042 (ptm) cc_final: 0.6942 (pmm) REVERT: JJ 9 LYS cc_start: 0.9321 (tptp) cc_final: 0.9016 (tptp) REVERT: JK 8 PHE cc_start: 0.8113 (t80) cc_final: 0.7522 (t80) REVERT: JM 13 ASP cc_start: 0.9159 (m-30) cc_final: 0.8886 (m-30) REVERT: JO 1 MET cc_start: 0.6462 (ppp) cc_final: 0.5516 (ppp) REVERT: JP 1 MET cc_start: 0.7828 (tmm) cc_final: 0.7019 (tmm) REVERT: JP 10 PHE cc_start: 0.8851 (t80) cc_final: 0.8608 (t80) REVERT: JS 1 MET cc_start: 0.6673 (ppp) cc_final: 0.5519 (ppp) REVERT: JV 9 LYS cc_start: 0.9441 (ttmt) cc_final: 0.9004 (ttpt) REVERT: JV 12 LYS cc_start: 0.9270 (pptt) cc_final: 0.9004 (pptt) REVERT: JW 1 MET cc_start: 0.6399 (ppp) cc_final: 0.5752 (ppp) REVERT: JX 1 MET cc_start: 0.8442 (tmm) cc_final: 0.7756 (tmm) REVERT: JY 12 LYS cc_start: 0.9077 (tttm) cc_final: 0.8794 (pttm) REVERT: JZ 1 MET cc_start: 0.8387 (tmm) cc_final: 0.7733 (tmm) REVERT: J0 1 MET cc_start: 0.6570 (ppp) cc_final: 0.6334 (ppp) REVERT: J1 1 MET cc_start: 0.8078 (tmm) cc_final: 0.7735 (tmm) REVERT: J3 2 GLU cc_start: 0.7979 (tp30) cc_final: 0.7711 (tp30) REVERT: J4 8 PHE cc_start: 0.8422 (t80) cc_final: 0.7835 (t80) REVERT: J5 1 MET cc_start: 0.8381 (tmm) cc_final: 0.7830 (tmm) REVERT: J6 13 ASP cc_start: 0.8726 (m-30) cc_final: 0.8510 (m-30) REVERT: J7 1 MET cc_start: 0.7653 (tmm) cc_final: 0.6343 (tmm) REVERT: J9 1 MET cc_start: 0.8380 (tmm) cc_final: 0.6925 (tmm) REVERT: KA 18 PHE cc_start: 0.8683 (t80) cc_final: 0.8318 (t80) REVERT: KC 8 PHE cc_start: 0.8439 (t80) cc_final: 0.8212 (t80) REVERT: KD 1 MET cc_start: 0.8078 (tmm) cc_final: 0.7767 (tmm) REVERT: KE 1 MET cc_start: 0.6677 (ptm) cc_final: 0.5952 (ptt) REVERT: KI 6 LYS cc_start: 0.8931 (ptpp) cc_final: 0.8660 (mtmm) REVERT: KK 1 MET cc_start: 0.7132 (ppp) cc_final: 0.6051 (ppp) REVERT: KL 1 MET cc_start: 0.8102 (tmm) cc_final: 0.7383 (tmm) REVERT: KM 1 MET cc_start: 0.6372 (ptp) cc_final: 0.5430 (ptt) REVERT: KN 1 MET cc_start: 0.6415 (tmm) cc_final: 0.5716 (tmm) REVERT: KO 1 MET cc_start: 0.6908 (ppp) cc_final: 0.5973 (ppp) REVERT: KP 1 MET cc_start: 0.7645 (tmm) cc_final: 0.7162 (tmm) REVERT: KQ 12 LYS cc_start: 0.9273 (tttm) cc_final: 0.9041 (tmtt) REVERT: KS 1 MET cc_start: 0.7579 (ppp) cc_final: 0.7188 (ppp) REVERT: KT 1 MET cc_start: 0.7738 (tmm) cc_final: 0.6762 (tmm) REVERT: KV 6 LYS cc_start: 0.8546 (ttpt) cc_final: 0.8236 (ttpt) REVERT: KW 1 MET cc_start: 0.6456 (ppp) cc_final: 0.4877 (ppp) REVERT: KX 1 MET cc_start: 0.8445 (tmm) cc_final: 0.6654 (tmm) REVERT: KX 9 LYS cc_start: 0.8899 (mtmt) cc_final: 0.8666 (mtmm) REVERT: KX 10 PHE cc_start: 0.8925 (t80) cc_final: 0.8710 (t80) REVERT: KY 13 ASP cc_start: 0.8910 (m-30) cc_final: 0.8649 (m-30) REVERT: K0 1 MET cc_start: 0.6826 (ptp) cc_final: 0.6522 (ptt) REVERT: K4 1 MET cc_start: 0.5847 (ppp) cc_final: 0.5002 (ppp) REVERT: K5 1 MET cc_start: 0.7716 (tmm) cc_final: 0.6615 (tmm) REVERT: K6 1 MET cc_start: 0.7442 (ptp) cc_final: 0.6952 (ptp) REVERT: K9 1 MET cc_start: 0.8318 (tmm) cc_final: 0.7751 (tmm) REVERT: LA 1 MET cc_start: 0.7154 (ptm) cc_final: 0.6066 (ptp) REVERT: LD 14 LEU cc_start: 0.8702 (tp) cc_final: 0.8501 (tp) REVERT: LE 1 MET cc_start: 0.5624 (ptm) cc_final: 0.4599 (ptp) REVERT: LH 1 MET cc_start: 0.8228 (tmm) cc_final: 0.7516 (tmm) REVERT: LI 1 MET cc_start: 0.6640 (ptp) cc_final: 0.6206 (ptt) REVERT: LI 6 LYS cc_start: 0.9304 (mtmm) cc_final: 0.8951 (ptpp) REVERT: LI 12 LYS cc_start: 0.9356 (pptt) cc_final: 0.8355 (tptp) REVERT: LI 13 ASP cc_start: 0.9089 (m-30) cc_final: 0.8700 (m-30) REVERT: LK 2 GLU cc_start: 0.7975 (tm-30) cc_final: 0.7577 (pm20) REVERT: LL 4 VAL cc_start: 0.9085 (t) cc_final: 0.8833 (t) REVERT: LL 9 LYS cc_start: 0.9362 (tmtt) cc_final: 0.9085 (tptp) REVERT: LM 1 MET cc_start: 0.7551 (ptm) cc_final: 0.6879 (ptp) REVERT: LO 9 LYS cc_start: 0.8677 (mmmt) cc_final: 0.8474 (mtmm) REVERT: LQ 1 MET cc_start: 0.5706 (ptm) cc_final: 0.4616 (ptp) REVERT: LQ 2 GLU cc_start: 0.7845 (pp20) cc_final: 0.7641 (pp20) REVERT: LR 17 LYS cc_start: 0.8661 (mtpp) cc_final: 0.8280 (mmtm) REVERT: LT 14 LEU cc_start: 0.8647 (tp) cc_final: 0.8367 (tt) REVERT: LU 1 MET cc_start: 0.5169 (ptm) cc_final: 0.4519 (ptp) REVERT: LV 6 LYS cc_start: 0.8865 (pttt) cc_final: 0.8527 (mtmt) REVERT: LX 1 MET cc_start: 0.7256 (tmm) cc_final: 0.6794 (tmm) REVERT: LY 1 MET cc_start: 0.7193 (ptm) cc_final: 0.6189 (ptt) REVERT: LY 13 ASP cc_start: 0.8835 (m-30) cc_final: 0.8492 (m-30) REVERT: LY 17 LYS cc_start: 0.8371 (ttmm) cc_final: 0.7347 (tmtt) REVERT: L3 6 LYS cc_start: 0.7804 (tmmt) cc_final: 0.7538 (tmtt) REVERT: L4 1 MET cc_start: 0.7375 (ppp) cc_final: 0.6161 (ppp) REVERT: L5 1 MET cc_start: 0.7063 (tmm) cc_final: 0.6340 (tmm) REVERT: L5 9 LYS cc_start: 0.9268 (ttmt) cc_final: 0.8942 (mtpt) REVERT: L6 11 PHE cc_start: 0.7681 (m-80) cc_final: 0.7361 (m-80) REVERT: L6 12 LYS cc_start: 0.9416 (pptt) cc_final: 0.9202 (pptt) REVERT: L7 6 LYS cc_start: 0.9124 (tppt) cc_final: 0.8774 (mmmt) REVERT: L9 1 MET cc_start: 0.7817 (tmm) cc_final: 0.6540 (tmm) REVERT: MB 12 LYS cc_start: 0.8822 (mmtt) cc_final: 0.8496 (mmmt) REVERT: MC 9 LYS cc_start: 0.9586 (mtpt) cc_final: 0.9149 (mmmt) REVERT: MF 17 LYS cc_start: 0.8861 (tttm) cc_final: 0.8441 (pttt) REVERT: MG 1 MET cc_start: 0.7086 (ppp) cc_final: 0.5987 (ppp) REVERT: MJ 1 MET cc_start: 0.8041 (pmm) cc_final: 0.7546 (pmm) REVERT: MJ 6 LYS cc_start: 0.8971 (mtmt) cc_final: 0.8726 (mtmt) REVERT: MJ 9 LYS cc_start: 0.8742 (tptp) cc_final: 0.8306 (tppt) REVERT: MJ 13 ASP cc_start: 0.8547 (m-30) cc_final: 0.8232 (m-30) REVERT: MM 1 MET cc_start: 0.7165 (ptm) cc_final: 0.6790 (ptp) REVERT: MM 12 LYS cc_start: 0.9230 (pttm) cc_final: 0.8832 (pttp) REVERT: MN 17 LYS cc_start: 0.8523 (pptt) cc_final: 0.7803 (pptt) REVERT: MQ 1 MET cc_start: 0.7231 (ptm) cc_final: 0.6560 (ptp) REVERT: MT 1 MET cc_start: 0.8648 (tmm) cc_final: 0.8142 (tmm) REVERT: MW 1 MET cc_start: 0.6484 (ppp) cc_final: 0.5452 (ppp) REVERT: MY 1 MET cc_start: 0.6943 (ptp) cc_final: 0.6219 (ptt) REVERT: M0 1 MET cc_start: 0.6938 (ppp) cc_final: 0.5773 (ppp) REVERT: M2 18 PHE cc_start: 0.8469 (t80) cc_final: 0.8145 (t80) REVERT: M3 2 GLU cc_start: 0.8853 (tp30) cc_final: 0.8612 (tp30) REVERT: M6 13 ASP cc_start: 0.8869 (m-30) cc_final: 0.8599 (m-30) REVERT: M7 12 LYS cc_start: 0.8754 (tptp) cc_final: 0.8460 (tppt) REVERT: M8 1 MET cc_start: 0.6652 (ppp) cc_final: 0.5904 (ppp) REVERT: M9 1 MET cc_start: 0.8514 (tmm) cc_final: 0.7766 (tmm) REVERT: NC 8 PHE cc_start: 0.8164 (t80) cc_final: 0.7960 (t80) REVERT: ND 1 MET cc_start: 0.8260 (tpp) cc_final: 0.8058 (tpp) REVERT: NE 18 PHE cc_start: 0.8437 (t80) cc_final: 0.8161 (t80) REVERT: NF 1 MET cc_start: 0.8035 (pmm) cc_final: 0.7385 (pmm) REVERT: NG 1 MET cc_start: 0.6873 (ppp) cc_final: 0.5496 (ppp) REVERT: NH 1 MET cc_start: 0.8482 (tmm) cc_final: 0.7943 (tmm) REVERT: NI 1 MET cc_start: 0.7670 (ptm) cc_final: 0.5958 (ptp) REVERT: NI 12 LYS cc_start: 0.9178 (tttm) cc_final: 0.8867 (tptp) REVERT: NL 1 MET cc_start: 0.8702 (tmm) cc_final: 0.7351 (tmm) REVERT: NO 1 MET cc_start: 0.6853 (ppp) cc_final: 0.6104 (ppp) REVERT: NP 1 MET cc_start: 0.8219 (tmm) cc_final: 0.7660 (tmm) REVERT: NS 1 MET cc_start: 0.7160 (ppp) cc_final: 0.6679 (ppp) REVERT: NU 1 MET cc_start: 0.6633 (ptm) cc_final: 0.5957 (ptt) REVERT: NU 6 LYS cc_start: 0.9065 (mtmm) cc_final: 0.8811 (ptpp) REVERT: NY 1 MET cc_start: 0.7324 (ptm) cc_final: 0.6099 (ptp) REVERT: NY 6 LYS cc_start: 0.9167 (mtmm) cc_final: 0.8706 (pttm) REVERT: N0 1 MET cc_start: 0.7127 (ppp) cc_final: 0.6351 (ppp) REVERT: N2 11 PHE cc_start: 0.7673 (m-10) cc_final: 0.7465 (m-80) REVERT: N2 12 LYS cc_start: 0.9185 (tttm) cc_final: 0.8787 (tptp) REVERT: N5 1 MET cc_start: 0.7821 (tmm) cc_final: 0.7228 (tmm) REVERT: N5 9 LYS cc_start: 0.9202 (tptm) cc_final: 0.8871 (tptp) REVERT: N6 1 MET cc_start: 0.6772 (ptm) cc_final: 0.6236 (ptm) REVERT: N6 13 ASP cc_start: 0.8765 (m-30) cc_final: 0.8439 (m-30) REVERT: N9 1 MET cc_start: 0.8125 (tmm) cc_final: 0.7543 (tmm) REVERT: OA 1 MET cc_start: 0.5511 (ptp) cc_final: 0.4672 (ptt) REVERT: OD 1 MET cc_start: 0.8359 (tmm) cc_final: 0.7286 (tmm) REVERT: OE 6 LYS cc_start: 0.9398 (mtpp) cc_final: 0.8791 (ttmm) REVERT: OF 17 LYS cc_start: 0.8731 (pttm) cc_final: 0.8228 (mmmt) REVERT: OG 1 MET cc_start: 0.6363 (ppp) cc_final: 0.5185 (ppp) REVERT: OH 1 MET cc_start: 0.8216 (tmm) cc_final: 0.7085 (tmm) REVERT: OK 1 MET cc_start: 0.7033 (ppp) cc_final: 0.5834 (ppp) REVERT: OM 1 MET cc_start: 0.7247 (ptm) cc_final: 0.6320 (ptp) REVERT: OM 6 LYS cc_start: 0.9306 (mtmm) cc_final: 0.9092 (mtmm) REVERT: ON 6 LYS cc_start: 0.8979 (tmmt) cc_final: 0.8730 (ttpp) REVERT: OP 1 MET cc_start: 0.8217 (tmm) cc_final: 0.7503 (tmm) REVERT: OQ 1 MET cc_start: 0.6094 (ptm) cc_final: 0.5892 (ptm) REVERT: OT 1 MET cc_start: 0.8346 (tmm) cc_final: 0.7868 (tmm) REVERT: OW 1 MET cc_start: 0.6128 (ppp) cc_final: 0.5442 (ppp) REVERT: OY 1 MET cc_start: 0.7522 (ptm) cc_final: 0.6857 (ptp) REVERT: O2 1 MET cc_start: 0.5889 (ptt) cc_final: 0.5196 (ptp) REVERT: O3 1 MET cc_start: 0.6755 (pmm) cc_final: 0.6516 (pmm) REVERT: O3 17 LYS cc_start: 0.8727 (mtpp) cc_final: 0.8474 (mmtm) REVERT: O5 14 LEU cc_start: 0.8745 (tp) cc_final: 0.8485 (tt) REVERT: O8 1 MET cc_start: 0.7185 (ppp) cc_final: 0.6310 (ppp) REVERT: PA 1 MET cc_start: 0.7185 (ptm) cc_final: 0.6467 (ptt) REVERT: PE 11 PHE cc_start: 0.7788 (m-80) cc_final: 0.7469 (m-80) REVERT: PF 17 LYS cc_start: 0.8925 (mtpp) cc_final: 0.8641 (ptmt) REVERT: PG 1 MET cc_start: 0.7466 (ppp) cc_final: 0.6336 (ppp) REVERT: PH 1 MET cc_start: 0.7449 (tmm) cc_final: 0.7044 (tmm) REVERT: PJ 1 MET cc_start: 0.7680 (pmm) cc_final: 0.7359 (pmm) REVERT: PL 1 MET cc_start: 0.8096 (tmm) cc_final: 0.6959 (tmm) REVERT: PO 1 MET cc_start: 0.6563 (ppp) cc_final: 0.5213 (ppp) REVERT: PO 9 LYS cc_start: 0.9558 (mtpt) cc_final: 0.9084 (mmmm) REVERT: PP 1 MET cc_start: 0.8095 (tmm) cc_final: 0.7394 (tmm) REVERT: PU 1 MET cc_start: 0.7473 (ptm) cc_final: 0.6548 (ptt) REVERT: PV 6 LYS cc_start: 0.8925 (mtmt) cc_final: 0.8695 (mtmt) REVERT: PX 1 MET cc_start: 0.8395 (tmm) cc_final: 0.7697 (tmm) REVERT: PX 4 VAL cc_start: 0.9234 (t) cc_final: 0.8773 (t) REVERT: PY 1 MET cc_start: 0.7539 (ptm) cc_final: 0.6824 (ptp) REVERT: PY 12 LYS cc_start: 0.9290 (pttm) cc_final: 0.9003 (pttp) REVERT: P2 1 MET cc_start: 0.7720 (ptm) cc_final: 0.7003 (ptp) REVERT: P4 1 MET cc_start: 0.7855 (ppp) cc_final: 0.7561 (ppp) REVERT: P5 1 MET cc_start: 0.8476 (tmm) cc_final: 0.7590 (tmm) REVERT: P6 1 MET cc_start: 0.8062 (ptm) cc_final: 0.7054 (pmm) REVERT: P7 1 MET cc_start: 0.7601 (pmm) cc_final: 0.7350 (pmm) REVERT: P8 1 MET cc_start: 0.7031 (ppp) cc_final: 0.6359 (ppp) REVERT: P8 8 PHE cc_start: 0.8684 (t80) cc_final: 0.8423 (t80) REVERT: QA 13 ASP cc_start: 0.9089 (m-30) cc_final: 0.8870 (m-30) REVERT: QD 1 MET cc_start: 0.7528 (tmm) cc_final: 0.6930 (tmm) REVERT: QE 1 MET cc_start: 0.7301 (ptp) cc_final: 0.6681 (ptt) REVERT: QG 1 MET cc_start: 0.6425 (ppp) cc_final: 0.6064 (ppp) REVERT: QH 1 MET cc_start: 0.8098 (tmm) cc_final: 0.7873 (tmm) REVERT: QI 13 ASP cc_start: 0.8966 (m-30) cc_final: 0.8744 (m-30) REVERT: QK 1 MET cc_start: 0.6628 (ppp) cc_final: 0.5827 (ppp) REVERT: QK 9 LYS cc_start: 0.9359 (mmtm) cc_final: 0.9027 (mmtm) REVERT: QM 12 LYS cc_start: 0.9153 (tmtt) cc_final: 0.8759 (pttm) REVERT: QN 1 MET cc_start: 0.7987 (tmm) cc_final: 0.7526 (tmm) REVERT: QO 1 MET cc_start: 0.6838 (ppp) cc_final: 0.6291 (ppp) REVERT: QO 8 PHE cc_start: 0.8185 (t80) cc_final: 0.7864 (t80) REVERT: QP 1 MET cc_start: 0.7630 (ttp) cc_final: 0.7313 (tmm) REVERT: QQ 6 LYS cc_start: 0.9228 (mppt) cc_final: 0.8990 (mmmm) REVERT: QS 1 MET cc_start: 0.6573 (ppp) cc_final: 0.5619 (ppp) REVERT: QT 1 MET cc_start: 0.8500 (tmm) cc_final: 0.8054 (tmm) REVERT: QU 1 MET cc_start: 0.7960 (ptm) cc_final: 0.6388 (ptp) REVERT: QW 1 MET cc_start: 0.6721 (ppp) cc_final: 0.5521 (ppp) REVERT: QX 1 MET cc_start: 0.8337 (tmm) cc_final: 0.6941 (tmm) REVERT: Q0 1 MET cc_start: 0.7376 (ppp) cc_final: 0.6602 (ppp) REVERT: Q1 1 MET cc_start: 0.8351 (tmm) cc_final: 0.7644 (tmm) REVERT: Q3 1 MET cc_start: 0.7438 (pmm) cc_final: 0.7055 (pmm) REVERT: Q4 1 MET cc_start: 0.6773 (ppp) cc_final: 0.6283 (ppp) REVERT: Q6 1 MET cc_start: 0.6357 (ptp) cc_final: 0.5947 (ptt) REVERT: Q8 1 MET cc_start: 0.7125 (ppp) cc_final: 0.5809 (ppp) REVERT: Q8 2 GLU cc_start: 0.8627 (tm-30) cc_final: 0.8400 (tm-30) REVERT: Q9 9 LYS cc_start: 0.9159 (tppp) cc_final: 0.8601 (tppt) REVERT: RA 13 ASP cc_start: 0.8649 (m-30) cc_final: 0.8365 (m-30) REVERT: RB 1 MET cc_start: 0.7445 (pmm) cc_final: 0.7017 (pmm) REVERT: RC 1 MET cc_start: 0.6956 (ppp) cc_final: 0.6469 (ppp) REVERT: RC 8 PHE cc_start: 0.8323 (t80) cc_final: 0.7891 (t80) REVERT: RE 12 LYS cc_start: 0.9136 (tttm) cc_final: 0.8806 (tptp) REVERT: RF 6 LYS cc_start: 0.9464 (mttt) cc_final: 0.9245 (mmtp) REVERT: RG 1 MET cc_start: 0.7495 (ppp) cc_final: 0.7147 (ppp) REVERT: RH 9 LYS cc_start: 0.9292 (tmtt) cc_final: 0.8954 (tptp) REVERT: RL 1 MET cc_start: 0.8461 (tmm) cc_final: 0.7280 (tmm) REVERT: RM 1 MET cc_start: 0.6395 (ptm) cc_final: 0.5957 (ptp) REVERT: RM 9 LYS cc_start: 0.9059 (ttmm) cc_final: 0.8839 (mtmm) REVERT: RO 8 PHE cc_start: 0.8290 (t80) cc_final: 0.7522 (t80) REVERT: RP 1 MET cc_start: 0.8327 (tmm) cc_final: 0.7549 (tmm) REVERT: RQ 13 ASP cc_start: 0.8952 (m-30) cc_final: 0.8723 (m-30) REVERT: RR 6 LYS cc_start: 0.8832 (tmmt) cc_final: 0.8606 (ttpt) REVERT: RS 1 MET cc_start: 0.6000 (ppp) cc_final: 0.5119 (ppp) REVERT: RT 1 MET cc_start: 0.7980 (tmm) cc_final: 0.6922 (tmm) REVERT: RU 11 PHE cc_start: 0.7512 (m-10) cc_final: 0.7311 (m-10) REVERT: RY 1 MET cc_start: 0.6383 (ptm) cc_final: 0.5698 (ptm) REVERT: RY 6 LYS cc_start: 0.8991 (mtmm) cc_final: 0.8692 (ptpp) REVERT: RY 13 ASP cc_start: 0.8977 (m-30) cc_final: 0.8771 (m-30) REVERT: RZ 6 LYS cc_start: 0.9047 (tmmt) cc_final: 0.8761 (ttpp) REVERT: RZ 12 LYS cc_start: 0.9237 (pttt) cc_final: 0.8965 (tptp) REVERT: R1 1 MET cc_start: 0.8041 (tmm) cc_final: 0.7457 (tmm) REVERT: R3 6 LYS cc_start: 0.8738 (pttt) cc_final: 0.8244 (pmtt) REVERT: R5 1 MET cc_start: 0.8284 (tmm) cc_final: 0.7512 (tmm) REVERT: R6 1 MET cc_start: 0.6599 (pmm) cc_final: 0.6371 (ptt) REVERT: R8 1 MET cc_start: 0.6148 (ppp) cc_final: 0.5500 (ppp) REVERT: R9 1 MET cc_start: 0.7852 (tmm) cc_final: 0.7305 (tmm) REVERT: R9 9 LYS cc_start: 0.9358 (tmtt) cc_final: 0.9107 (tptp) REVERT: SA 1 MET cc_start: 0.7381 (ptm) cc_final: 0.6542 (ptp) REVERT: SD 1 MET cc_start: 0.6780 (tmm) cc_final: 0.6499 (tmm) REVERT: SD 4 VAL cc_start: 0.8839 (t) cc_final: 0.8509 (t) REVERT: SE 1 MET cc_start: 0.5638 (ptm) cc_final: 0.4997 (ptt) REVERT: SF 1 MET cc_start: 0.6753 (tmm) cc_final: 0.6216 (tmm) REVERT: SH 4 VAL cc_start: 0.9053 (t) cc_final: 0.8843 (t) REVERT: SK 1 MET cc_start: 0.7300 (ppp) cc_final: 0.6934 (ppp) REVERT: SL 1 MET cc_start: 0.7192 (tmm) cc_final: 0.6671 (tmm) REVERT: SM 1 MET cc_start: 0.6797 (ptm) cc_final: 0.6379 (ptt) REVERT: SM 13 ASP cc_start: 0.8934 (m-30) cc_final: 0.8712 (m-30) REVERT: SM 17 LYS cc_start: 0.8672 (ttmm) cc_final: 0.8066 (tmtt) REVERT: SO 1 MET cc_start: 0.7514 (ppp) cc_final: 0.6358 (ppp) REVERT: SP 1 MET cc_start: 0.7874 (tmm) cc_final: 0.6992 (tmm) REVERT: SS 1 MET cc_start: 0.7571 (ppp) cc_final: 0.6450 (ppp) REVERT: ST 1 MET cc_start: 0.7212 (tmm) cc_final: 0.6538 (tmm) REVERT: SV 1 MET cc_start: 0.7829 (pmm) cc_final: 0.7332 (pmm) REVERT: SX 1 MET cc_start: 0.8313 (tmm) cc_final: 0.7583 (tmm) REVERT: SY 6 LYS cc_start: 0.9341 (mmmm) cc_final: 0.9025 (mtpp) REVERT: S0 9 LYS cc_start: 0.9445 (mmmt) cc_final: 0.9196 (mttp) REVERT: S1 1 MET cc_start: 0.8378 (tmm) cc_final: 0.8125 (ppp) REVERT: S2 1 MET cc_start: 0.6985 (ptm) cc_final: 0.6630 (ptp) REVERT: S3 12 LYS cc_start: 0.9032 (ptmt) cc_final: 0.8665 (ttpp) REVERT: S4 1 MET cc_start: 0.7171 (ppp) cc_final: 0.6437 (ppp) REVERT: S5 1 MET cc_start: 0.7187 (ttp) cc_final: 0.6509 (tmm) REVERT: TA 1 MET cc_start: 0.7914 (ptm) cc_final: 0.6011 (pmm) REVERT: TB 17 LYS cc_start: 0.8736 (pttp) cc_final: 0.8376 (ptmm) REVERT: TC 1 MET cc_start: 0.6669 (ppp) cc_final: 0.6237 (ppp) REVERT: TD 3 PHE cc_start: 0.7556 (m-10) cc_final: 0.7306 (m-10) REVERT: TH 1 MET cc_start: 0.8487 (tmm) cc_final: 0.7367 (tmm) REVERT: TI 1 MET cc_start: 0.7823 (ptm) cc_final: 0.6896 (pmm) REVERT: TI 12 LYS cc_start: 0.9151 (pttm) cc_final: 0.8915 (pptt) REVERT: TM 1 MET cc_start: 0.7052 (ptp) cc_final: 0.6108 (ptt) REVERT: TM 13 ASP cc_start: 0.9090 (m-30) cc_final: 0.8773 (m-30) REVERT: TP 9 LYS cc_start: 0.9285 (tmtt) cc_final: 0.9068 (tptp) REVERT: TQ 1 MET cc_start: 0.7526 (ptp) cc_final: 0.6800 (ptt) REVERT: TR 17 LYS cc_start: 0.8665 (ptmm) cc_final: 0.8284 (ptmm) REVERT: TS 1 MET cc_start: 0.5872 (ppp) cc_final: 0.4433 (ppp) REVERT: TT 9 LYS cc_start: 0.9275 (ttmm) cc_final: 0.9072 (mmmm) REVERT: TV 12 LYS cc_start: 0.9240 (tmtt) cc_final: 0.8999 (tptp) REVERT: TW 1 MET cc_start: 0.6353 (ppp) cc_final: 0.5580 (ppp) REVERT: TX 1 MET cc_start: 0.8051 (tmm) cc_final: 0.7231 (tmm) REVERT: TX 9 LYS cc_start: 0.9035 (tttm) cc_final: 0.8373 (tptp) REVERT: TZ 1 MET cc_start: 0.6563 (tmm) cc_final: 0.6181 (tmm) REVERT: T0 1 MET cc_start: 0.6485 (ppp) cc_final: 0.5424 (ppp) REVERT: T1 1 MET cc_start: 0.8047 (ttt) cc_final: 0.7316 (tmm) REVERT: T2 12 LYS cc_start: 0.9286 (tmtt) cc_final: 0.8938 (ptmm) REVERT: T3 12 LYS cc_start: 0.8749 (mmpt) cc_final: 0.8399 (tppt) REVERT: T4 8 PHE cc_start: 0.8537 (t80) cc_final: 0.7650 (t80) REVERT: T5 1 MET cc_start: 0.8356 (tmm) cc_final: 0.7825 (tmm) REVERT: T6 1 MET cc_start: 0.7674 (ptm) cc_final: 0.6576 (ptp) REVERT: T9 1 MET cc_start: 0.8205 (tmm) cc_final: 0.6509 (tmm) REVERT: UA 1 MET cc_start: 0.5297 (ptm) cc_final: 0.5004 (ptm) REVERT: UC 1 MET cc_start: 0.7111 (ppp) cc_final: 0.6004 (ppp) REVERT: UD 1 MET cc_start: 0.8255 (tmm) cc_final: 0.7672 (tmm) REVERT: UE 1 MET cc_start: 0.7112 (ptm) cc_final: 0.6105 (ptt) REVERT: UF 1 MET cc_start: 0.8188 (tmm) cc_final: 0.6871 (tmm) REVERT: UF 13 ASP cc_start: 0.7618 (t0) cc_final: 0.7185 (t70) REVERT: UG 1 MET cc_start: 0.6978 (ppp) cc_final: 0.6694 (ppp) REVERT: UH 3 PHE cc_start: 0.7930 (m-10) cc_final: 0.7541 (m-10) REVERT: UK 1 MET cc_start: 0.7028 (ppp) cc_final: 0.6183 (ppp) REVERT: UL 1 MET cc_start: 0.7812 (tmm) cc_final: 0.7366 (tmm) REVERT: UN 1 MET cc_start: 0.6757 (ppp) cc_final: 0.5930 (ppp) REVERT: UO 1 MET cc_start: 0.6736 (ppp) cc_final: 0.5837 (ppp) REVERT: UP 1 MET cc_start: 0.7449 (tmm) cc_final: 0.6254 (tmm) REVERT: UQ 12 LYS cc_start: 0.9201 (tttm) cc_final: 0.8988 (tptp) REVERT: US 1 MET cc_start: 0.7630 (ppp) cc_final: 0.6835 (ppp) REVERT: UT 9 LYS cc_start: 0.9131 (tptm) cc_final: 0.8634 (tptp) REVERT: UU 9 LYS cc_start: 0.8983 (tppt) cc_final: 0.8670 (tppt) REVERT: UU 13 ASP cc_start: 0.8700 (m-30) cc_final: 0.8428 (m-30) REVERT: UU 18 PHE cc_start: 0.7681 (t80) cc_final: 0.7469 (t80) REVERT: UW 1 MET cc_start: 0.6337 (ppp) cc_final: 0.5591 (ppp) REVERT: UX 9 LYS cc_start: 0.9173 (ttmm) cc_final: 0.8920 (mtmm) REVERT: UY 13 ASP cc_start: 0.8933 (m-30) cc_final: 0.8305 (m-30) REVERT: UZ 12 LYS cc_start: 0.8871 (mmpt) cc_final: 0.8649 (mmtm) REVERT: U0 8 PHE cc_start: 0.8271 (t80) cc_final: 0.7691 (t80) REVERT: U1 1 MET cc_start: 0.8109 (tmm) cc_final: 0.6937 (tmm) REVERT: U2 9 LYS cc_start: 0.9265 (mtmm) cc_final: 0.8868 (mtmm) REVERT: U2 13 ASP cc_start: 0.9078 (m-30) cc_final: 0.8795 (m-30) REVERT: U4 1 MET cc_start: 0.5995 (ppp) cc_final: 0.5060 (ppp) REVERT: U5 1 MET cc_start: 0.7995 (tmm) cc_final: 0.6541 (tmm) REVERT: U9 1 MET cc_start: 0.8364 (tmm) cc_final: 0.7759 (tmm) REVERT: VA 1 MET cc_start: 0.6692 (ptm) cc_final: 0.6253 (ptm) REVERT: VA 13 ASP cc_start: 0.9125 (m-30) cc_final: 0.8921 (m-30) REVERT: VC 1 MET cc_start: 0.3728 (ptt) cc_final: 0.3523 (ptt) REVERT: VD 1 MET cc_start: 0.8008 (tmm) cc_final: 0.7468 (tmm) REVERT: VE 1 MET cc_start: 0.5434 (ptm) cc_final: 0.4591 (ptt) REVERT: VG 1 MET cc_start: 0.6279 (ppp) cc_final: 0.5091 (ppp) REVERT: VH 1 MET cc_start: 0.8116 (tmm) cc_final: 0.7074 (tmm) REVERT: VK 1 MET cc_start: 0.6319 (ppp) cc_final: 0.5310 (ppp) REVERT: VL 4 VAL cc_start: 0.8884 (t) cc_final: 0.8653 (t) REVERT: VL 9 LYS cc_start: 0.9352 (tmtt) cc_final: 0.9082 (tptp) REVERT: VM 17 LYS cc_start: 0.8851 (ttpt) cc_final: 0.8328 (mmmt) REVERT: VQ 1 MET cc_start: 0.5988 (ptm) cc_final: 0.4856 (ptp) REVERT: VU 6 LYS cc_start: 0.9127 (ptpp) cc_final: 0.8331 (mtmm) outliers start: 0 outliers final: 0 residues processed: 4717 average time/residue: 1.2925 time to fit residues: 10430.9628 Evaluate side-chains 3643 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3643 time to evaluate : 13.412 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1503 optimal weight: 7.9990 chunk 990 optimal weight: 0.7980 chunk 1595 optimal weight: 9.9990 chunk 973 optimal weight: 6.9990 chunk 756 optimal weight: 3.9990 chunk 1109 optimal weight: 6.9990 chunk 1673 optimal weight: 0.1980 chunk 1540 optimal weight: 10.0000 chunk 1332 optimal weight: 0.7980 chunk 138 optimal weight: 5.9990 chunk 1029 optimal weight: 2.9990 overall best weight: 1.7584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: DT 21 ASN F9 21 ASN H2 21 ASN P5 21 ASN UH 21 ASN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8015 moved from start: 0.6774 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.037 151200 Z= 0.201 Angle : 0.630 15.481 198240 Z= 0.300 Chirality : 0.030 0.281 20160 Planarity : 0.002 0.021 23520 Dihedral : 4.275 21.594 16800 Min Nonbonded Distance : 2.081 Molprobity Statistics. All-atom Clashscore : 16.26 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.53 % Favored : 99.47 % Rotamer: Outliers : 0.00 % Allowed : 0.54 % Favored : 99.46 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.80 (0.06), residues: 15960 helix: 1.71 (0.04), residues: 13330 sheet: None (None), residues: 0 loop : -1.41 (0.10), residues: 2630 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.048 0.002 PHEBQ 11 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31920 Ramachandran restraints generated. 15960 Oldfield, 0 Emsley, 15960 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4580 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4580 time to evaluate : 13.631 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: B 1 MET cc_start: 0.8274 (tmm) cc_final: 0.7285 (tmm) REVERT: D 6 LYS cc_start: 0.8776 (ttpt) cc_final: 0.8518 (tttt) REVERT: E 1 MET cc_start: 0.7454 (ppp) cc_final: 0.6655 (ppp) REVERT: F 1 MET cc_start: 0.7210 (tmm) cc_final: 0.6793 (tmm) REVERT: G 1 MET cc_start: 0.6974 (ptm) cc_final: 0.6497 (ptt) REVERT: G 13 ASP cc_start: 0.8776 (m-30) cc_final: 0.8407 (m-30) REVERT: G 17 LYS cc_start: 0.9030 (ttmm) cc_final: 0.8375 (tmtt) REVERT: H 11 PHE cc_start: 0.7699 (m-80) cc_final: 0.7372 (m-80) REVERT: I 2 GLU cc_start: 0.9010 (tm-30) cc_final: 0.8800 (tp30) REVERT: M 1 MET cc_start: 0.7372 (ppp) cc_final: 0.6003 (ppp) REVERT: N 1 MET cc_start: 0.7356 (tmm) cc_final: 0.7116 (tmm) REVERT: O 1 MET cc_start: 0.7254 (ptm) cc_final: 0.6835 (ptt) REVERT: O 11 PHE cc_start: 0.7754 (m-10) cc_final: 0.7546 (m-80) REVERT: W 6 LYS cc_start: 0.9176 (ptpp) cc_final: 0.8948 (pttp) REVERT: Y 1 MET cc_start: 0.7272 (ppp) cc_final: 0.6833 (ppp) REVERT: Y 9 LYS cc_start: 0.9564 (mtpt) cc_final: 0.9276 (mmmt) REVERT: 0 1 MET cc_start: 0.7667 (ptm) cc_final: 0.7124 (ptt) REVERT: 3 9 LYS cc_start: 0.8781 (mmmt) cc_final: 0.8396 (mmmt) REVERT: 4 1 MET cc_start: 0.7432 (ptm) cc_final: 0.6947 (ptp) REVERT: 4 17 LYS cc_start: 0.9100 (mmmm) cc_final: 0.8520 (mmmt) REVERT: 5 1 MET cc_start: 0.8015 (tmm) cc_final: 0.6956 (tmm) REVERT: 7 1 MET cc_start: 0.7776 (tmm) cc_final: 0.7277 (tmm) REVERT: 8 13 ASP cc_start: 0.9034 (m-30) cc_final: 0.8428 (t0) REVERT: 9 12 LYS cc_start: 0.9081 (pttm) cc_final: 0.8803 (ttmm) REVERT: b 1 MET cc_start: 0.8472 (tmm) cc_final: 0.8053 (tmm) REVERT: c 12 LYS cc_start: 0.9189 (pttm) cc_final: 0.8905 (pttm) REVERT: g 12 LYS cc_start: 0.9493 (tmtt) cc_final: 0.9259 (pttm) REVERT: i 1 MET cc_start: 0.6667 (ppp) cc_final: 0.6431 (ppp) REVERT: j 1 MET cc_start: 0.7851 (tmm) cc_final: 0.7439 (ppp) REVERT: o 18 PHE cc_start: 0.8484 (t80) cc_final: 0.8217 (t80) REVERT: p 1 MET cc_start: 0.6254 (ptp) cc_final: 0.5448 (ptp) REVERT: q 1 MET cc_start: 0.6542 (ppp) cc_final: 0.5835 (ppp) REVERT: r 1 MET cc_start: 0.7929 (tmm) cc_final: 0.7630 (ppp) REVERT: u 1 MET cc_start: 0.6365 (ppp) cc_final: 0.5285 (ppp) REVERT: u 8 PHE cc_start: 0.8282 (t80) cc_final: 0.7939 (t80) REVERT: v 1 MET cc_start: 0.8600 (tmm) cc_final: 0.7868 (tmm) REVERT: w 1 MET cc_start: 0.7683 (ptm) cc_final: 0.6587 (ptp) REVERT: y 1 MET cc_start: 0.6696 (ppp) cc_final: 0.6112 (ptp) REVERT: z 1 MET cc_start: 0.8165 (tmm) cc_final: 0.7056 (tmm) REVERT: AB 13 ASP cc_start: 0.7698 (t0) cc_final: 0.7422 (t0) REVERT: AD 1 MET cc_start: 0.8325 (tmm) cc_final: 0.7585 (tmm) REVERT: AE 1 MET cc_start: 0.6766 (ptm) cc_final: 0.6047 (ptp) REVERT: AG 1 MET cc_start: 0.6947 (ppp) cc_final: 0.6566 (ppp) REVERT: AK 1 MET cc_start: 0.6902 (ppp) cc_final: 0.5502 (ppp) REVERT: AN 1 MET cc_start: 0.7712 (pmm) cc_final: 0.7254 (pmm) REVERT: AO 1 MET cc_start: 0.6930 (ppp) cc_final: 0.5958 (ppp) REVERT: AP 1 MET cc_start: 0.8121 (tmm) cc_final: 0.7127 (tmm) REVERT: AQ 12 LYS cc_start: 0.9200 (tttm) cc_final: 0.8873 (tptp) REVERT: AS 1 MET cc_start: 0.7756 (ppp) cc_final: 0.7112 (ppp) REVERT: AT 1 MET cc_start: 0.7776 (tmm) cc_final: 0.7096 (tmm) REVERT: AU 6 LYS cc_start: 0.9276 (mtmm) cc_final: 0.8923 (ptpp) REVERT: AU 13 ASP cc_start: 0.8800 (m-30) cc_final: 0.8365 (m-30) REVERT: AX 1 MET cc_start: 0.8009 (tmm) cc_final: 0.6803 (tmm) REVERT: AY 1 MET cc_start: 0.6595 (ptm) cc_final: 0.5242 (ptp) REVERT: AY 6 LYS cc_start: 0.9215 (mtmm) cc_final: 0.8643 (ptpp) REVERT: AZ 12 LYS cc_start: 0.9078 (tptt) cc_final: 0.8763 (tppt) REVERT: A4 1 MET cc_start: 0.5920 (ppp) cc_final: 0.4806 (ppp) REVERT: A6 3 PHE cc_start: 0.8002 (t80) cc_final: 0.7417 (t80) REVERT: A6 17 LYS cc_start: 0.8402 (ttpt) cc_final: 0.7847 (mmmt) REVERT: A7 1 MET cc_start: 0.7960 (pmm) cc_final: 0.7726 (pmm) REVERT: A7 13 ASP cc_start: 0.8333 (t70) cc_final: 0.7965 (t0) REVERT: BA 1 MET cc_start: 0.6251 (ptm) cc_final: 0.5291 (ptp) REVERT: BB 2 GLU cc_start: 0.7811 (tp30) cc_final: 0.7372 (mp0) REVERT: BB 6 LYS cc_start: 0.8952 (tmmt) cc_final: 0.8638 (ttpp) REVERT: BE 1 MET cc_start: 0.5620 (ptm) cc_final: 0.4720 (ptp) REVERT: BG 1 MET cc_start: 0.5979 (ppp) cc_final: 0.5427 (ppp) REVERT: BH 1 MET cc_start: 0.8253 (tmm) cc_final: 0.7495 (tmm) REVERT: BI 12 LYS cc_start: 0.9366 (pptt) cc_final: 0.9152 (pptt) REVERT: BL 1 MET cc_start: 0.8016 (tmm) cc_final: 0.7088 (tmm) REVERT: BO 1 MET cc_start: 0.7012 (ppp) cc_final: 0.6569 (ppp) REVERT: BQ 1 MET cc_start: 0.5839 (ptm) cc_final: 0.5083 (ptp) REVERT: BR 12 LYS cc_start: 0.6444 (tptt) cc_final: 0.5717 (mptt) REVERT: BT 14 LEU cc_start: 0.8834 (tp) cc_final: 0.8516 (tt) REVERT: BU 1 MET cc_start: 0.5450 (ptm) cc_final: 0.4233 (ptp) REVERT: BW 1 MET cc_start: 0.7625 (ppp) cc_final: 0.6550 (ppp) REVERT: BX 1 MET cc_start: 0.6895 (tmm) cc_final: 0.5928 (tmm) REVERT: BX 10 PHE cc_start: 0.7682 (t80) cc_final: 0.7423 (m-10) REVERT: BY 1 MET cc_start: 0.7346 (ptm) cc_final: 0.6642 (ptt) REVERT: BY 17 LYS cc_start: 0.8652 (ttmm) cc_final: 0.8126 (tmtt) REVERT: BZ 6 LYS cc_start: 0.6253 (tmtt) cc_final: 0.5470 (tttt) REVERT: BZ 9 LYS cc_start: 0.9181 (tptp) cc_final: 0.8406 (tptp) REVERT: B4 1 MET cc_start: 0.7495 (ppp) cc_final: 0.6695 (ppp) REVERT: B6 11 PHE cc_start: 0.7659 (m-80) cc_final: 0.7150 (m-10) REVERT: B6 12 LYS cc_start: 0.9443 (pptt) cc_final: 0.9242 (pptt) REVERT: B8 9 LYS cc_start: 0.9147 (mmmt) cc_final: 0.8839 (mmmm) REVERT: B9 1 MET cc_start: 0.8139 (tmm) cc_final: 0.7312 (tmm) REVERT: CB 1 MET cc_start: 0.7160 (pmm) cc_final: 0.6841 (pmm) REVERT: CE 12 LYS cc_start: 0.9278 (pptt) cc_final: 0.8951 (pptt) REVERT: CE 13 ASP cc_start: 0.9118 (m-30) cc_final: 0.8823 (m-30) REVERT: CH 1 MET cc_start: 0.6538 (ttp) cc_final: 0.5381 (tmm) REVERT: CJ 9 LYS cc_start: 0.9023 (tptp) cc_final: 0.8783 (tptp) REVERT: CL 1 MET cc_start: 0.7773 (tmm) cc_final: 0.7223 (tmm) REVERT: CM 12 LYS cc_start: 0.9184 (pttp) cc_final: 0.8780 (pttp) REVERT: CQ 1 MET cc_start: 0.7467 (ptm) cc_final: 0.6978 (ptp) REVERT: CS 1 MET cc_start: 0.7747 (ppp) cc_final: 0.7023 (ppp) REVERT: CS 9 LYS cc_start: 0.9673 (mtpt) cc_final: 0.9317 (ttmm) REVERT: CW 8 PHE cc_start: 0.8192 (t80) cc_final: 0.7253 (t80) REVERT: CW 9 LYS cc_start: 0.9337 (mmmt) cc_final: 0.8937 (mmtm) REVERT: C0 1 MET cc_start: 0.6823 (ppp) cc_final: 0.5747 (ppp) REVERT: C1 1 MET cc_start: 0.7588 (tmm) cc_final: 0.6626 (tmm) REVERT: C2 1 MET cc_start: 0.7100 (ptp) cc_final: 0.6805 (ptp) REVERT: C6 13 ASP cc_start: 0.8993 (m-30) cc_final: 0.8721 (m-30) REVERT: C7 9 LYS cc_start: 0.8680 (tptp) cc_final: 0.8478 (tptp) REVERT: C7 12 LYS cc_start: 0.9256 (tmtt) cc_final: 0.9022 (tptp) REVERT: C8 1 MET cc_start: 0.6448 (ppp) cc_final: 0.5690 (ppp) REVERT: C9 1 MET cc_start: 0.8459 (tmm) cc_final: 0.7817 (tmm) REVERT: DB 1 MET cc_start: 0.7796 (tmm) cc_final: 0.7362 (tmm) REVERT: DE 1 MET cc_start: 0.6406 (ptm) cc_final: 0.5635 (ptt) REVERT: DE 12 LYS cc_start: 0.9337 (tttm) cc_final: 0.8959 (ttmm) REVERT: DF 11 PHE cc_start: 0.8229 (m-80) cc_final: 0.7965 (m-80) REVERT: DH 1 MET cc_start: 0.8477 (tmm) cc_final: 0.8145 (tmm) REVERT: DI 1 MET cc_start: 0.8145 (ptm) cc_final: 0.6521 (ptp) REVERT: DI 12 LYS cc_start: 0.9117 (tttm) cc_final: 0.8915 (tptp) REVERT: DJ 1 MET cc_start: 0.7769 (tmm) cc_final: 0.7382 (tmm) REVERT: DL 1 MET cc_start: 0.8528 (tmm) cc_final: 0.6869 (tmm) REVERT: DM 3 PHE cc_start: 0.7759 (t80) cc_final: 0.7410 (t80) REVERT: DO 1 MET cc_start: 0.7361 (ppp) cc_final: 0.7069 (ppp) REVERT: DQ 1 MET cc_start: 0.6683 (ptp) cc_final: 0.6144 (ptt) REVERT: DQ 6 LYS cc_start: 0.9055 (mtmm) cc_final: 0.8736 (ptpp) REVERT: DR 1 MET cc_start: 0.7355 (tmm) cc_final: 0.6973 (tmm) REVERT: DS 1 MET cc_start: 0.6810 (ppp) cc_final: 0.6390 (ppp) REVERT: DU 6 LYS cc_start: 0.8841 (mtmm) cc_final: 0.8605 (ptpp) REVERT: DX 1 MET cc_start: 0.8003 (tmm) cc_final: 0.7349 (tmm) REVERT: DX 9 LYS cc_start: 0.8775 (tmtt) cc_final: 0.8530 (tptp) REVERT: DY 1 MET cc_start: 0.7276 (ptp) cc_final: 0.6489 (ptt) REVERT: DY 13 ASP cc_start: 0.8899 (m-30) cc_final: 0.8634 (m-30) REVERT: D2 12 LYS cc_start: 0.9218 (tttm) cc_final: 0.8744 (tptp) REVERT: D4 1 MET cc_start: 0.7726 (ppp) cc_final: 0.7191 (ppp) REVERT: D5 9 LYS cc_start: 0.9208 (tmtt) cc_final: 0.8920 (tptp) REVERT: D6 1 MET cc_start: 0.6875 (ptm) cc_final: 0.6482 (ptm) REVERT: D8 1 MET cc_start: 0.6698 (ppp) cc_final: 0.6460 (ppp) REVERT: D9 1 MET cc_start: 0.8063 (tmm) cc_final: 0.7099 (tmm) REVERT: EA 12 LYS cc_start: 0.9284 (pttm) cc_final: 0.9037 (pptt) REVERT: EA 13 ASP cc_start: 0.9131 (m-30) cc_final: 0.8498 (m-30) REVERT: EB 2 GLU cc_start: 0.8515 (tp30) cc_final: 0.8192 (tp30) REVERT: EB 12 LYS cc_start: 0.8938 (tppt) cc_final: 0.8733 (tptt) REVERT: EB 17 LYS cc_start: 0.8961 (mtpp) cc_final: 0.8265 (mmtm) REVERT: EC 8 PHE cc_start: 0.8032 (t80) cc_final: 0.7195 (t80) REVERT: EE 13 ASP cc_start: 0.9104 (m-30) cc_final: 0.8901 (m-30) REVERT: EF 6 LYS cc_start: 0.8914 (ttpt) cc_final: 0.8634 (tttt) REVERT: EG 1 MET cc_start: 0.6118 (ppp) cc_final: 0.4877 (ppp) REVERT: EH 1 MET cc_start: 0.8371 (tmm) cc_final: 0.7438 (tmm) REVERT: EJ 13 ASP cc_start: 0.8446 (t0) cc_final: 0.8092 (t0) REVERT: EK 1 MET cc_start: 0.6716 (ppp) cc_final: 0.5723 (ppp) REVERT: EM 1 MET cc_start: 0.6350 (ptm) cc_final: 0.5209 (ptp) REVERT: EM 12 LYS cc_start: 0.9196 (pttp) cc_final: 0.8861 (pptt) REVERT: EM 13 ASP cc_start: 0.9225 (m-30) cc_final: 0.8753 (m-30) REVERT: ET 1 MET cc_start: 0.8431 (tmm) cc_final: 0.7704 (tmm) REVERT: EY 1 MET cc_start: 0.6770 (ptm) cc_final: 0.5627 (ptt) REVERT: E0 9 LYS cc_start: 0.8676 (mmmt) cc_final: 0.8467 (mtmm) REVERT: E1 9 LYS cc_start: 0.8999 (tmtt) cc_final: 0.8598 (ttmm) REVERT: E2 1 MET cc_start: 0.5310 (ptm) cc_final: 0.4381 (ptt) REVERT: E3 1 MET cc_start: 0.6542 (tmm) cc_final: 0.5903 (tmm) REVERT: E5 14 LEU cc_start: 0.8833 (tp) cc_final: 0.8535 (tt) REVERT: E6 1 MET cc_start: 0.5581 (ptm) cc_final: 0.4964 (ptp) REVERT: E7 6 LYS cc_start: 0.8889 (ptmt) cc_final: 0.8525 (mtmt) REVERT: E8 1 MET cc_start: 0.7717 (ppp) cc_final: 0.6726 (ppp) REVERT: E8 2 GLU cc_start: 0.8873 (tm-30) cc_final: 0.8586 (tm-30) REVERT: E9 1 MET cc_start: 0.6971 (tmm) cc_final: 0.6188 (tmm) REVERT: FA 1 MET cc_start: 0.6649 (ptm) cc_final: 0.6003 (ptt) REVERT: FA 17 LYS cc_start: 0.5927 (ttmt) cc_final: 0.4458 (tmtt) REVERT: FC 1 MET cc_start: 0.7269 (ppp) cc_final: 0.6214 (ppp) REVERT: FD 10 PHE cc_start: 0.8191 (t80) cc_final: 0.7176 (m-10) REVERT: FE 11 PHE cc_start: 0.7749 (m-80) cc_final: 0.7421 (m-80) REVERT: FG 1 MET cc_start: 0.7656 (ppp) cc_final: 0.6630 (ppp) REVERT: FH 1 MET cc_start: 0.7552 (tmm) cc_final: 0.6975 (tmm) REVERT: FH 9 LYS cc_start: 0.8811 (pttm) cc_final: 0.8205 (ptmt) REVERT: FI 1 MET cc_start: 0.7073 (ptm) cc_final: 0.6449 (ptt) REVERT: FI 6 LYS cc_start: 0.8388 (pptt) cc_final: 0.8065 (pttt) REVERT: FJ 6 LYS cc_start: 0.8929 (mmmt) cc_final: 0.8619 (mmtm) REVERT: FL 1 MET cc_start: 0.8280 (tmm) cc_final: 0.7419 (tmm) REVERT: FO 9 LYS cc_start: 0.9409 (mmmt) cc_final: 0.9151 (mmmm) REVERT: FS 1 MET cc_start: 0.7165 (ppp) cc_final: 0.6165 (ppp) REVERT: FT 1 MET cc_start: 0.6860 (ttp) cc_final: 0.5845 (tmm) REVERT: FV 9 LYS cc_start: 0.8725 (tppt) cc_final: 0.8161 (tppt) REVERT: FV 13 ASP cc_start: 0.8473 (m-30) cc_final: 0.8013 (m-30) REVERT: FY 1 MET cc_start: 0.7494 (ptm) cc_final: 0.7036 (ptp) REVERT: FY 12 LYS cc_start: 0.9110 (pttp) cc_final: 0.8865 (pttp) REVERT: FZ 17 LYS cc_start: 0.8597 (pttp) cc_final: 0.8300 (pttp) REVERT: F2 1 MET cc_start: 0.7142 (ptm) cc_final: 0.6813 (ptp) REVERT: F2 6 LYS cc_start: 0.9362 (mmmt) cc_final: 0.9099 (mmmm) REVERT: F8 1 MET cc_start: 0.7004 (ppp) cc_final: 0.6265 (ppp) REVERT: F9 9 LYS cc_start: 0.8776 (ptpp) cc_final: 0.8296 (tmtt) REVERT: GA 1 MET cc_start: 0.7374 (ptp) cc_final: 0.7048 (ptt) REVERT: GA 13 ASP cc_start: 0.8953 (m-30) cc_final: 0.8705 (m-30) REVERT: GC 1 MET cc_start: 0.6462 (ppp) cc_final: 0.5397 (ppp) REVERT: GD 1 MET cc_start: 0.7734 (tmm) cc_final: 0.6796 (tmm) REVERT: GK 1 MET cc_start: 0.6493 (ppp) cc_final: 0.5718 (ppp) REVERT: GL 1 MET cc_start: 0.8028 (tmm) cc_final: 0.7220 (tmm) REVERT: GL 9 LYS cc_start: 0.9156 (tmtt) cc_final: 0.8799 (tptp) REVERT: GM 12 LYS cc_start: 0.9063 (pttp) cc_final: 0.8634 (pttm) REVERT: GQ 12 LYS cc_start: 0.9227 (tttm) cc_final: 0.8888 (ttmt) REVERT: GT 1 MET cc_start: 0.8428 (tmm) cc_final: 0.8035 (tmm) REVERT: GU 1 MET cc_start: 0.7682 (ptm) cc_final: 0.6689 (ptp) REVERT: GU 12 LYS cc_start: 0.9112 (tttm) cc_final: 0.8689 (tptp) REVERT: GU 13 ASP cc_start: 0.8847 (m-30) cc_final: 0.8603 (p0) REVERT: GX 1 MET cc_start: 0.8348 (tmm) cc_final: 0.7390 (tmm) REVERT: G0 1 MET cc_start: 0.7039 (ppp) cc_final: 0.6282 (ppp) REVERT: G1 1 MET cc_start: 0.8416 (tmm) cc_final: 0.8038 (tmm) REVERT: G2 1 MET cc_start: 0.6828 (ptm) cc_final: 0.6122 (ptp) REVERT: G3 1 MET cc_start: 0.7694 (tmm) cc_final: 0.6877 (tmm) REVERT: G4 1 MET cc_start: 0.7057 (ppp) cc_final: 0.6652 (ppp) REVERT: G5 1 MET cc_start: 0.7268 (tmm) cc_final: 0.7040 (tmm) REVERT: G8 1 MET cc_start: 0.6590 (ppp) cc_final: 0.6159 (ppp) REVERT: G9 1 MET cc_start: 0.8130 (ttt) cc_final: 0.7170 (tmm) REVERT: HA 1 MET cc_start: 0.6338 (ptp) cc_final: 0.5094 (ptt) REVERT: HA 13 ASP cc_start: 0.8809 (m-30) cc_final: 0.8584 (m-30) REVERT: HB 1 MET cc_start: 0.7095 (pmm) cc_final: 0.6614 (pmm) REVERT: HC 1 MET cc_start: 0.7175 (ppp) cc_final: 0.6241 (ppp) REVERT: HG 1 MET cc_start: 0.7652 (ppp) cc_final: 0.7198 (ppp) REVERT: HH 9 LYS cc_start: 0.9101 (tptm) cc_final: 0.8804 (tptp) REVERT: HI 1 MET cc_start: 0.6780 (ptm) cc_final: 0.6424 (ptm) REVERT: HL 1 MET cc_start: 0.8119 (tmm) cc_final: 0.7212 (tmm) REVERT: HM 9 LYS cc_start: 0.9111 (ttmm) cc_final: 0.8496 (mtmm) REVERT: HM 12 LYS cc_start: 0.9360 (pttp) cc_final: 0.9148 (pptt) REVERT: HM 13 ASP cc_start: 0.9107 (m-30) cc_final: 0.8486 (m-30) REVERT: HP 1 MET cc_start: 0.8126 (tmm) cc_final: 0.7268 (tmm) REVERT: HP 9 LYS cc_start: 0.9266 (tmtt) cc_final: 0.8869 (tptp) REVERT: HQ 6 LYS cc_start: 0.9047 (mtpt) cc_final: 0.8842 (ttmm) REVERT: HQ 12 LYS cc_start: 0.9187 (pptt) cc_final: 0.8968 (pptt) REVERT: HT 1 MET cc_start: 0.8115 (tmm) cc_final: 0.7265 (tmm) REVERT: HV 12 LYS cc_start: 0.9177 (tmmt) cc_final: 0.8872 (tmmt) REVERT: HW 1 MET cc_start: 0.6833 (ppp) cc_final: 0.6376 (ppp) REVERT: HX 1 MET cc_start: 0.8032 (ttp) cc_final: 0.7561 (tmm) REVERT: HY 1 MET cc_start: 0.6990 (ptm) cc_final: 0.6427 (ptp) REVERT: HY 13 ASP cc_start: 0.8927 (m-30) cc_final: 0.8705 (m-30) REVERT: H1 1 MET cc_start: 0.8092 (tmm) cc_final: 0.7431 (tmm) REVERT: H2 1 MET cc_start: 0.5554 (ptm) cc_final: 0.4360 (ptp) REVERT: H3 6 LYS cc_start: 0.8678 (pttt) cc_final: 0.7910 (pttt) REVERT: H5 1 MET cc_start: 0.7654 (tmm) cc_final: 0.6879 (tmm) REVERT: H6 18 PHE cc_start: 0.8343 (t80) cc_final: 0.7730 (t80) REVERT: H7 1 MET cc_start: 0.6705 (pmm) cc_final: 0.6233 (pmm) REVERT: H8 2 GLU cc_start: 0.7939 (tm-30) cc_final: 0.7404 (mp0) REVERT: H8 8 PHE cc_start: 0.8800 (t80) cc_final: 0.8358 (t80) REVERT: IA 1 MET cc_start: 0.7384 (ptm) cc_final: 0.6383 (ptt) REVERT: IA 17 LYS cc_start: 0.8531 (ttpt) cc_final: 0.7558 (mmmt) REVERT: IC 1 MET cc_start: 0.6813 (ppp) cc_final: 0.6390 (ppp) REVERT: IE 1 MET cc_start: 0.6025 (ptm) cc_final: 0.4760 (ptp) REVERT: IF 1 MET cc_start: 0.6788 (tmm) cc_final: 0.6087 (tmm) REVERT: II 1 MET cc_start: 0.5422 (ptm) cc_final: 0.4459 (ptp) REVERT: II 6 LYS cc_start: 0.9526 (ptpp) cc_final: 0.9201 (mtmm) REVERT: IK 1 MET cc_start: 0.7312 (ppp) cc_final: 0.7083 (ppp) REVERT: IL 1 MET cc_start: 0.6966 (tmm) cc_final: 0.5708 (tmm) REVERT: IM 17 LYS cc_start: 0.8550 (ttmm) cc_final: 0.7889 (tmtt) REVERT: IP 1 MET cc_start: 0.8301 (tpp) cc_final: 0.8063 (mmm) REVERT: IR 17 LYS cc_start: 0.8964 (mtpp) cc_final: 0.8725 (mtmm) REVERT: IS 1 MET cc_start: 0.7291 (ppp) cc_final: 0.6504 (ppp) REVERT: IU 1 MET cc_start: 0.6950 (ptm) cc_final: 0.6040 (ptt) REVERT: IV 6 LYS cc_start: 0.9103 (tppt) cc_final: 0.8858 (mmmt) REVERT: IX 1 MET cc_start: 0.7984 (tmm) cc_final: 0.6883 (tmm) REVERT: IX 9 LYS cc_start: 0.9043 (mmmm) cc_final: 0.8803 (mmmm) REVERT: IY 12 LYS cc_start: 0.9264 (pptt) cc_final: 0.8976 (pttm) REVERT: I1 1 MET cc_start: 0.8024 (tmm) cc_final: 0.7613 (tmm) REVERT: I1 4 VAL cc_start: 0.9357 (t) cc_final: 0.9069 (t) REVERT: I4 1 MET cc_start: 0.6756 (ppp) cc_final: 0.5698 (ppp) REVERT: I7 9 LYS cc_start: 0.8744 (tppt) cc_final: 0.8241 (tppt) REVERT: I7 13 ASP cc_start: 0.8439 (m-30) cc_final: 0.8155 (m-30) REVERT: I9 1 MET cc_start: 0.7634 (tmm) cc_final: 0.7131 (tmm) REVERT: JA 1 MET cc_start: 0.7368 (ptm) cc_final: 0.6381 (ptp) REVERT: JA 12 LYS cc_start: 0.9242 (pttp) cc_final: 0.8857 (pttm) REVERT: JA 13 ASP cc_start: 0.9148 (m-30) cc_final: 0.8791 (m-30) REVERT: JB 17 LYS cc_start: 0.8287 (pptt) cc_final: 0.7911 (pptt) REVERT: JC 1 MET cc_start: 0.6573 (ppp) cc_final: 0.6018 (ppp) REVERT: JD 9 LYS cc_start: 0.9354 (tttm) cc_final: 0.8850 (tptt) REVERT: JE 13 ASP cc_start: 0.8985 (m-30) cc_final: 0.8507 (t0) REVERT: JF 1 MET cc_start: 0.7799 (pmm) cc_final: 0.7592 (pmm) REVERT: JG 1 MET cc_start: 0.7685 (ppp) cc_final: 0.7393 (ppp) REVERT: JH 1 MET cc_start: 0.8456 (tmm) cc_final: 0.8025 (tmm) REVERT: JI 1 MET cc_start: 0.8008 (ptm) cc_final: 0.6911 (pmm) REVERT: JJ 9 LYS cc_start: 0.9305 (tptp) cc_final: 0.9020 (tptp) REVERT: JK 8 PHE cc_start: 0.8220 (t80) cc_final: 0.7812 (t80) REVERT: JM 13 ASP cc_start: 0.9157 (m-30) cc_final: 0.8912 (m-30) REVERT: JO 1 MET cc_start: 0.6437 (ppp) cc_final: 0.5449 (ppp) REVERT: JP 1 MET cc_start: 0.7802 (tmm) cc_final: 0.6969 (tmm) REVERT: JP 10 PHE cc_start: 0.8780 (t80) cc_final: 0.8529 (t80) REVERT: JS 1 MET cc_start: 0.6790 (ppp) cc_final: 0.5589 (ppp) REVERT: JV 9 LYS cc_start: 0.9405 (ttmt) cc_final: 0.9025 (ttpt) REVERT: JV 12 LYS cc_start: 0.9275 (pptt) cc_final: 0.9029 (pptt) REVERT: JV 13 ASP cc_start: 0.8698 (p0) cc_final: 0.8451 (p0) REVERT: JW 1 MET cc_start: 0.6396 (ppp) cc_final: 0.5664 (ppp) REVERT: JX 1 MET cc_start: 0.8468 (tmm) cc_final: 0.7792 (tmm) REVERT: JY 12 LYS cc_start: 0.9065 (tttm) cc_final: 0.8762 (pttm) REVERT: JZ 1 MET cc_start: 0.8364 (tmm) cc_final: 0.7836 (tmm) REVERT: JZ 2 GLU cc_start: 0.8676 (tp30) cc_final: 0.8446 (tp30) REVERT: J0 1 MET cc_start: 0.6703 (ppp) cc_final: 0.6467 (ppp) REVERT: J3 2 GLU cc_start: 0.8005 (tp30) cc_final: 0.7746 (tp30) REVERT: J5 1 MET cc_start: 0.8370 (tmm) cc_final: 0.7800 (tmm) REVERT: J6 1 MET cc_start: 0.7128 (ptp) cc_final: 0.6889 (ptp) REVERT: J7 1 MET cc_start: 0.7681 (tmm) cc_final: 0.6309 (tmm) REVERT: J8 18 PHE cc_start: 0.8577 (t80) cc_final: 0.8375 (t80) REVERT: J9 1 MET cc_start: 0.8473 (tmm) cc_final: 0.7058 (tmm) REVERT: KA 18 PHE cc_start: 0.8653 (t80) cc_final: 0.8411 (t80) REVERT: KB 1 MET cc_start: 0.8035 (pmm) cc_final: 0.7782 (pmm) REVERT: KC 8 PHE cc_start: 0.8328 (t80) cc_final: 0.8006 (t80) REVERT: KD 1 MET cc_start: 0.8053 (tmm) cc_final: 0.7805 (tmm) REVERT: KE 1 MET cc_start: 0.6624 (ptm) cc_final: 0.5876 (ptt) REVERT: KI 6 LYS cc_start: 0.8873 (ptpp) cc_final: 0.8633 (mtmm) REVERT: KK 1 MET cc_start: 0.7091 (ppp) cc_final: 0.5946 (ppp) REVERT: KL 1 MET cc_start: 0.7938 (tmm) cc_final: 0.7371 (tmm) REVERT: KM 1 MET cc_start: 0.6393 (ptp) cc_final: 0.5312 (ptt) REVERT: KN 1 MET cc_start: 0.6857 (tmm) cc_final: 0.5619 (tmm) REVERT: KP 1 MET cc_start: 0.7558 (tmm) cc_final: 0.7145 (tmm) REVERT: KQ 12 LYS cc_start: 0.9260 (tttm) cc_final: 0.8989 (tmtt) REVERT: KS 1 MET cc_start: 0.7553 (ppp) cc_final: 0.7130 (ppp) REVERT: KT 1 MET cc_start: 0.7788 (tmm) cc_final: 0.6934 (tmm) REVERT: KT 9 LYS cc_start: 0.9259 (tptm) cc_final: 0.8887 (tptp) REVERT: KU 13 ASP cc_start: 0.8413 (m-30) cc_final: 0.8197 (m-30) REVERT: KV 6 LYS cc_start: 0.8501 (ttpt) cc_final: 0.8198 (ttpt) REVERT: KW 1 MET cc_start: 0.6345 (ppp) cc_final: 0.4711 (ppp) REVERT: KX 1 MET cc_start: 0.8402 (tmm) cc_final: 0.6614 (tmm) REVERT: KY 13 ASP cc_start: 0.8845 (m-30) cc_final: 0.8577 (m-30) REVERT: K0 1 MET cc_start: 0.6759 (ptp) cc_final: 0.6468 (ptt) REVERT: K4 1 MET cc_start: 0.5915 (ppp) cc_final: 0.5041 (ppp) REVERT: K5 1 MET cc_start: 0.7661 (tmm) cc_final: 0.6603 (tmm) REVERT: K6 1 MET cc_start: 0.7552 (ptp) cc_final: 0.7189 (ptp) REVERT: K9 1 MET cc_start: 0.8281 (tmm) cc_final: 0.7823 (tmm) REVERT: LA 1 MET cc_start: 0.6974 (ptm) cc_final: 0.5833 (ptp) REVERT: LE 1 MET cc_start: 0.5639 (ptm) cc_final: 0.4587 (ptp) REVERT: LH 1 MET cc_start: 0.8072 (tmm) cc_final: 0.7433 (tmm) REVERT: LI 1 MET cc_start: 0.6632 (ptp) cc_final: 0.6323 (ptt) REVERT: LI 6 LYS cc_start: 0.9296 (mtmm) cc_final: 0.8966 (ptpp) REVERT: LI 12 LYS cc_start: 0.9356 (pptt) cc_final: 0.8312 (tptp) REVERT: LI 13 ASP cc_start: 0.9136 (m-30) cc_final: 0.8718 (m-30) REVERT: LL 4 VAL cc_start: 0.9080 (t) cc_final: 0.8652 (p) REVERT: LL 9 LYS cc_start: 0.9347 (tmtt) cc_final: 0.9083 (tptp) REVERT: LM 1 MET cc_start: 0.7383 (ptm) cc_final: 0.6734 (ptp) REVERT: LM 17 LYS cc_start: 0.8592 (tttt) cc_final: 0.7737 (tppt) REVERT: LN 12 LYS cc_start: 0.9133 (pptt) cc_final: 0.8530 (tptt) REVERT: LQ 1 MET cc_start: 0.5741 (ptm) cc_final: 0.4624 (ptp) REVERT: LQ 2 GLU cc_start: 0.7831 (pp20) cc_final: 0.7602 (pp20) REVERT: LR 17 LYS cc_start: 0.8638 (mtpp) cc_final: 0.8282 (mmtm) REVERT: LT 9 LYS cc_start: 0.9230 (tmtt) cc_final: 0.8978 (tptp) REVERT: LU 1 MET cc_start: 0.5023 (ptm) cc_final: 0.4244 (ptp) REVERT: LV 6 LYS cc_start: 0.8843 (pttt) cc_final: 0.8529 (mtmt) REVERT: LX 1 MET cc_start: 0.7346 (tmm) cc_final: 0.6818 (tmm) REVERT: LY 1 MET cc_start: 0.7227 (ptm) cc_final: 0.6358 (ptt) REVERT: L3 6 LYS cc_start: 0.7811 (tmmt) cc_final: 0.7538 (tmtt) REVERT: L4 1 MET cc_start: 0.7234 (ppp) cc_final: 0.6020 (ppp) REVERT: L5 1 MET cc_start: 0.7092 (tmm) cc_final: 0.6416 (tmm) REVERT: L5 9 LYS cc_start: 0.9319 (ttmt) cc_final: 0.9045 (mtpt) REVERT: L6 12 LYS cc_start: 0.9372 (pptt) cc_final: 0.9142 (pptt) REVERT: L7 6 LYS cc_start: 0.9138 (tppt) cc_final: 0.8784 (mmmt) REVERT: L9 1 MET cc_start: 0.7725 (tmm) cc_final: 0.6414 (tmm) REVERT: MB 12 LYS cc_start: 0.8808 (mmtt) cc_final: 0.8533 (mmmt) REVERT: MC 9 LYS cc_start: 0.9573 (mtpt) cc_final: 0.9119 (mmmt) REVERT: MG 1 MET cc_start: 0.6996 (ppp) cc_final: 0.5905 (ppp) REVERT: MJ 1 MET cc_start: 0.8079 (pmm) cc_final: 0.7586 (pmm) REVERT: MJ 9 LYS cc_start: 0.8647 (tptp) cc_final: 0.8099 (tppt) REVERT: MJ 13 ASP cc_start: 0.8519 (m-30) cc_final: 0.8164 (m-30) REVERT: MM 1 MET cc_start: 0.7007 (ptm) cc_final: 0.6630 (ptp) REVERT: MM 12 LYS cc_start: 0.9196 (pttm) cc_final: 0.8787 (pttp) REVERT: MN 17 LYS cc_start: 0.8588 (pptt) cc_final: 0.7841 (pptt) REVERT: MO 1 MET cc_start: 0.7083 (ppp) cc_final: 0.6259 (ppp) REVERT: MQ 1 MET cc_start: 0.7241 (ptm) cc_final: 0.6533 (ptp) REVERT: MT 1 MET cc_start: 0.8637 (tmm) cc_final: 0.8161 (tmm) REVERT: MW 1 MET cc_start: 0.6533 (ppp) cc_final: 0.5515 (ppp) REVERT: MY 1 MET cc_start: 0.7002 (ptp) cc_final: 0.6252 (ptt) REVERT: M0 1 MET cc_start: 0.6925 (ppp) cc_final: 0.5783 (ppp) REVERT: M1 9 LYS cc_start: 0.9345 (tmtt) cc_final: 0.9091 (tptp) REVERT: M2 12 LYS cc_start: 0.9091 (ptmm) cc_final: 0.8716 (pttm) REVERT: M2 18 PHE cc_start: 0.8562 (t80) cc_final: 0.8179 (t80) REVERT: M6 12 LYS cc_start: 0.9311 (pttm) cc_final: 0.9057 (pttp) REVERT: M6 13 ASP cc_start: 0.8833 (m-30) cc_final: 0.8261 (m-30) REVERT: M7 12 LYS cc_start: 0.8632 (tptp) cc_final: 0.8403 (tppt) REVERT: M8 1 MET cc_start: 0.6678 (ppp) cc_final: 0.5833 (ppp) REVERT: M9 1 MET cc_start: 0.8423 (tmm) cc_final: 0.7759 (tmm) REVERT: NB 1 MET cc_start: 0.7667 (tmm) cc_final: 0.7307 (tmm) REVERT: NE 18 PHE cc_start: 0.8498 (t80) cc_final: 0.8096 (t80) REVERT: NF 1 MET cc_start: 0.7947 (pmm) cc_final: 0.7420 (pmm) REVERT: NG 1 MET cc_start: 0.6660 (ppp) cc_final: 0.5234 (ppp) REVERT: NH 1 MET cc_start: 0.8474 (tmm) cc_final: 0.8042 (tmm) REVERT: NH 12 LYS cc_start: 0.8264 (tptp) cc_final: 0.7989 (tptt) REVERT: NI 1 MET cc_start: 0.7295 (ptm) cc_final: 0.5736 (ptp) REVERT: NI 12 LYS cc_start: 0.9113 (tttm) cc_final: 0.8857 (tptp) REVERT: NL 1 MET cc_start: 0.8754 (tmm) cc_final: 0.7400 (tmm) REVERT: NO 1 MET cc_start: 0.6851 (ppp) cc_final: 0.6133 (ppp) REVERT: NP 1 MET cc_start: 0.8272 (tmm) cc_final: 0.7730 (tmm) REVERT: NS 1 MET cc_start: 0.7157 (ppp) cc_final: 0.6751 (ppp) REVERT: NU 1 MET cc_start: 0.6262 (ptm) cc_final: 0.5696 (ptt) REVERT: NU 6 LYS cc_start: 0.9007 (mtmm) cc_final: 0.8774 (ptpp) REVERT: NW 1 MET cc_start: 0.6718 (ppp) cc_final: 0.6507 (ppp) REVERT: NY 1 MET cc_start: 0.7137 (ptm) cc_final: 0.5794 (ptp) REVERT: NY 6 LYS cc_start: 0.9126 (mtmm) cc_final: 0.8675 (pttm) REVERT: N0 1 MET cc_start: 0.7429 (ppp) cc_final: 0.6515 (ppp) REVERT: N2 12 LYS cc_start: 0.9196 (tttm) cc_final: 0.8812 (tptp) REVERT: N5 1 MET cc_start: 0.7946 (tmm) cc_final: 0.7337 (tmm) REVERT: N5 9 LYS cc_start: 0.9214 (tptm) cc_final: 0.8878 (tptp) REVERT: N6 1 MET cc_start: 0.6520 (ptm) cc_final: 0.5956 (ptm) REVERT: N6 9 LYS cc_start: 0.8947 (tppt) cc_final: 0.8649 (tppp) REVERT: N6 13 ASP cc_start: 0.8805 (m-30) cc_final: 0.8529 (m-30) REVERT: N7 6 LYS cc_start: 0.8880 (tttt) cc_final: 0.8658 (ttpt) REVERT: N9 1 MET cc_start: 0.7962 (tmm) cc_final: 0.7419 (tmm) REVERT: OA 1 MET cc_start: 0.5719 (ptp) cc_final: 0.4990 (ptt) REVERT: OB 12 LYS cc_start: 0.9149 (pttm) cc_final: 0.8640 (ttmm) REVERT: OD 1 MET cc_start: 0.8320 (tmm) cc_final: 0.7285 (tmm) REVERT: OE 6 LYS cc_start: 0.9381 (mtpp) cc_final: 0.8824 (ttmm) REVERT: OF 17 LYS cc_start: 0.8769 (pttm) cc_final: 0.8190 (mmmt) REVERT: OG 1 MET cc_start: 0.6348 (ppp) cc_final: 0.5185 (ppp) REVERT: OH 1 MET cc_start: 0.8224 (tmm) cc_final: 0.7163 (tmm) REVERT: OK 1 MET cc_start: 0.6990 (ppp) cc_final: 0.5765 (ppp) REVERT: OM 1 MET cc_start: 0.7482 (ptm) cc_final: 0.6483 (ptp) REVERT: OM 13 ASP cc_start: 0.9141 (m-30) cc_final: 0.8901 (m-30) REVERT: ON 2 GLU cc_start: 0.8345 (tp30) cc_final: 0.7666 (mp0) REVERT: ON 6 LYS cc_start: 0.8971 (tmmt) cc_final: 0.8699 (ttpp) REVERT: OP 1 MET cc_start: 0.7976 (tmm) cc_final: 0.7598 (tmm) REVERT: OQ 1 MET cc_start: 0.6046 (ptm) cc_final: 0.5845 (ptm) REVERT: OT 1 MET cc_start: 0.8327 (tmm) cc_final: 0.7878 (tmm) REVERT: OW 1 MET cc_start: 0.6329 (ppp) cc_final: 0.5697 (ppp) REVERT: OY 1 MET cc_start: 0.7516 (ptm) cc_final: 0.6496 (ptt) REVERT: O2 1 MET cc_start: 0.5527 (ptt) cc_final: 0.4844 (ptp) REVERT: O3 17 LYS cc_start: 0.8715 (mtpp) cc_final: 0.8469 (mmtm) REVERT: O6 1 MET cc_start: 0.6576 (ptp) cc_final: 0.6251 (ptt) REVERT: O8 1 MET cc_start: 0.7353 (ppp) cc_final: 0.6535 (ppp) REVERT: PA 1 MET cc_start: 0.7118 (ptm) cc_final: 0.6508 (ptt) REVERT: PE 11 PHE cc_start: 0.7818 (m-80) cc_final: 0.7491 (m-80) REVERT: PF 17 LYS cc_start: 0.8877 (mtpp) cc_final: 0.8656 (ptmt) REVERT: PG 1 MET cc_start: 0.7367 (ppp) cc_final: 0.6114 (ppp) REVERT: PH 1 MET cc_start: 0.7543 (tmm) cc_final: 0.7115 (tmm) REVERT: PL 1 MET cc_start: 0.8032 (tmm) cc_final: 0.7027 (tmm) REVERT: PO 1 MET cc_start: 0.6982 (ppp) cc_final: 0.5642 (ppp) REVERT: PO 9 LYS cc_start: 0.9539 (mtpt) cc_final: 0.9060 (mmmm) REVERT: PP 1 MET cc_start: 0.8178 (tmm) cc_final: 0.7467 (tmm) REVERT: PU 1 MET cc_start: 0.7548 (ptm) cc_final: 0.6509 (ptt) REVERT: PV 6 LYS cc_start: 0.8893 (mtmt) cc_final: 0.8668 (mtmt) REVERT: PX 1 MET cc_start: 0.8416 (tmm) cc_final: 0.7793 (tmm) REVERT: PX 14 LEU cc_start: 0.9155 (tp) cc_final: 0.8922 (tt) REVERT: PY 1 MET cc_start: 0.7482 (ptm) cc_final: 0.6743 (ptp) REVERT: PY 12 LYS cc_start: 0.9267 (pttm) cc_final: 0.8913 (pttp) REVERT: PZ 17 LYS cc_start: 0.8513 (pttp) cc_final: 0.8117 (pttt) REVERT: P2 1 MET cc_start: 0.7768 (ptm) cc_final: 0.6794 (ptp) REVERT: P2 2 GLU cc_start: 0.8237 (pp20) cc_final: 0.7000 (mp0) REVERT: P4 1 MET cc_start: 0.7885 (ppp) cc_final: 0.7559 (ppp) REVERT: P5 1 MET cc_start: 0.8250 (tmm) cc_final: 0.7623 (tmm) REVERT: P6 1 MET cc_start: 0.8080 (ptm) cc_final: 0.7033 (pmm) REVERT: P7 1 MET cc_start: 0.7556 (pmm) cc_final: 0.7281 (pmm) REVERT: P7 13 ASP cc_start: 0.7933 (m-30) cc_final: 0.7637 (m-30) REVERT: P7 17 LYS cc_start: 0.8418 (ptpp) cc_final: 0.8146 (pttm) REVERT: P8 1 MET cc_start: 0.6956 (ppp) cc_final: 0.6199 (ppp) REVERT: P8 8 PHE cc_start: 0.8626 (t80) cc_final: 0.8172 (t80) REVERT: QD 1 MET cc_start: 0.7538 (tmm) cc_final: 0.6904 (tmm) REVERT: QE 1 MET cc_start: 0.7244 (ptp) cc_final: 0.6983 (ptp) REVERT: QE 6 LYS cc_start: 0.9431 (mtpt) cc_final: 0.9142 (mtpt) REVERT: QJ 12 LYS cc_start: 0.9235 (tmtt) cc_final: 0.9001 (tptp) REVERT: QK 1 MET cc_start: 0.6521 (ppp) cc_final: 0.5637 (ppp) REVERT: QK 9 LYS cc_start: 0.9346 (mmtm) cc_final: 0.9040 (mmtm) REVERT: QM 12 LYS cc_start: 0.9158 (tmtt) cc_final: 0.8838 (pttm) REVERT: QN 1 MET cc_start: 0.7801 (tmm) cc_final: 0.7474 (tmm) REVERT: QO 1 MET cc_start: 0.7081 (ppp) cc_final: 0.6409 (ppp) REVERT: QO 8 PHE cc_start: 0.8184 (t80) cc_final: 0.7835 (t80) REVERT: QP 1 MET cc_start: 0.7638 (ttp) cc_final: 0.7320 (tmm) REVERT: QS 1 MET cc_start: 0.6679 (ppp) cc_final: 0.5634 (ppp) REVERT: QT 1 MET cc_start: 0.8444 (tmm) cc_final: 0.8071 (tmm) REVERT: QU 1 MET cc_start: 0.8000 (ptm) cc_final: 0.7442 (ptp) REVERT: QW 1 MET cc_start: 0.6703 (ppp) cc_final: 0.5440 (ppp) REVERT: QX 1 MET cc_start: 0.8312 (tmm) cc_final: 0.7002 (tmm) REVERT: Q0 1 MET cc_start: 0.7206 (ppp) cc_final: 0.6422 (ppp) REVERT: Q1 1 MET cc_start: 0.8395 (tmm) cc_final: 0.7785 (tmm) REVERT: Q3 1 MET cc_start: 0.7537 (pmm) cc_final: 0.7214 (pmm) REVERT: Q4 1 MET cc_start: 0.6802 (ppp) cc_final: 0.6280 (ppp) REVERT: Q6 1 MET cc_start: 0.6553 (ptp) cc_final: 0.6023 (ptt) REVERT: Q8 1 MET cc_start: 0.7085 (ppp) cc_final: 0.5753 (ppp) REVERT: Q9 9 LYS cc_start: 0.9173 (tppp) cc_final: 0.8626 (tppt) REVERT: RA 13 ASP cc_start: 0.8702 (m-30) cc_final: 0.8424 (m-30) REVERT: RB 1 MET cc_start: 0.7425 (pmm) cc_final: 0.6995 (pmm) REVERT: RC 1 MET cc_start: 0.6941 (ppp) cc_final: 0.6487 (ppp) REVERT: RC 8 PHE cc_start: 0.8367 (t80) cc_final: 0.7586 (t80) REVERT: RD 1 MET cc_start: 0.7230 (tmm) cc_final: 0.6935 (ttt) REVERT: RE 11 PHE cc_start: 0.7557 (m-80) cc_final: 0.7281 (m-80) REVERT: RE 12 LYS cc_start: 0.9128 (tttm) cc_final: 0.8792 (tptp) REVERT: RF 1 MET cc_start: 0.6907 (pmm) cc_final: 0.6558 (pmm) REVERT: RF 6 LYS cc_start: 0.9449 (mttt) cc_final: 0.9223 (mmtp) REVERT: RG 1 MET cc_start: 0.7428 (ppp) cc_final: 0.7038 (ppp) REVERT: RH 1 MET cc_start: 0.7602 (tmm) cc_final: 0.6894 (tmm) REVERT: RH 4 VAL cc_start: 0.9027 (p) cc_final: 0.8632 (p) REVERT: RH 9 LYS cc_start: 0.9246 (tmtt) cc_final: 0.8944 (tptp) REVERT: RK 1 MET cc_start: 0.6478 (ppp) cc_final: 0.5550 (ppp) REVERT: RL 1 MET cc_start: 0.8379 (tmm) cc_final: 0.7244 (tmm) REVERT: RM 1 MET cc_start: 0.6559 (ptm) cc_final: 0.5926 (ptp) REVERT: RM 13 ASP cc_start: 0.8796 (m-30) cc_final: 0.8548 (m-30) REVERT: RO 8 PHE cc_start: 0.8297 (t80) cc_final: 0.7522 (t80) REVERT: RP 1 MET cc_start: 0.8350 (tmm) cc_final: 0.7476 (tmm) REVERT: RP 9 LYS cc_start: 0.9253 (tmtt) cc_final: 0.8994 (tptm) REVERT: RQ 13 ASP cc_start: 0.8964 (m-30) cc_final: 0.8733 (m-30) REVERT: RR 6 LYS cc_start: 0.8811 (tmmt) cc_final: 0.8558 (ttpt) REVERT: RS 1 MET cc_start: 0.6063 (ppp) cc_final: 0.5153 (ppp) REVERT: RT 1 MET cc_start: 0.7930 (tmm) cc_final: 0.6826 (tmm) REVERT: RT 10 PHE cc_start: 0.8720 (t80) cc_final: 0.8469 (t80) REVERT: RU 11 PHE cc_start: 0.7593 (m-10) cc_final: 0.7386 (m-10) REVERT: RV 13 ASP cc_start: 0.8365 (t0) cc_final: 0.7469 (t0) REVERT: RY 1 MET cc_start: 0.6388 (ptm) cc_final: 0.5456 (ptm) REVERT: RY 6 LYS cc_start: 0.8953 (mtmm) cc_final: 0.8647 (ptpp) REVERT: RY 13 ASP cc_start: 0.9015 (m-30) cc_final: 0.8772 (m-30) REVERT: RZ 6 LYS cc_start: 0.9009 (tmmt) cc_final: 0.8706 (ttpp) REVERT: RZ 12 LYS cc_start: 0.9234 (pttt) cc_final: 0.8977 (tptt) REVERT: R1 1 MET cc_start: 0.8120 (tmm) cc_final: 0.7491 (tmm) REVERT: R3 6 LYS cc_start: 0.8740 (pttt) cc_final: 0.8040 (pttp) REVERT: R5 1 MET cc_start: 0.8108 (tmm) cc_final: 0.7399 (tmm) REVERT: R6 1 MET cc_start: 0.6768 (pmm) cc_final: 0.6512 (ptt) REVERT: R6 12 LYS cc_start: 0.9300 (tptt) cc_final: 0.8957 (pttp) REVERT: R8 1 MET cc_start: 0.6289 (ppp) cc_final: 0.5707 (ppp) REVERT: R9 1 MET cc_start: 0.7958 (tmm) cc_final: 0.7474 (tmm) REVERT: R9 9 LYS cc_start: 0.9367 (tmtt) cc_final: 0.9090 (tptp) REVERT: SA 1 MET cc_start: 0.7143 (ptm) cc_final: 0.6344 (ptp) REVERT: SA 17 LYS cc_start: 0.8801 (ttpt) cc_final: 0.7580 (mmmt) REVERT: SD 1 MET cc_start: 0.6729 (tmm) cc_final: 0.6495 (tmm) REVERT: SD 4 VAL cc_start: 0.8816 (t) cc_final: 0.8512 (t) REVERT: SE 1 MET cc_start: 0.5490 (ptm) cc_final: 0.4884 (ptp) REVERT: SF 1 MET cc_start: 0.6747 (tmm) cc_final: 0.6260 (tmm) REVERT: SK 1 MET cc_start: 0.7302 (ppp) cc_final: 0.6957 (ppp) REVERT: SL 1 MET cc_start: 0.7196 (tmm) cc_final: 0.6795 (tmm) REVERT: SM 1 MET cc_start: 0.6867 (ptm) cc_final: 0.6360 (ptt) REVERT: SM 13 ASP cc_start: 0.8854 (m-30) cc_final: 0.8652 (m-30) REVERT: SM 17 LYS cc_start: 0.8469 (ttmm) cc_final: 0.7917 (tmtt) REVERT: SP 1 MET cc_start: 0.7832 (tmm) cc_final: 0.6907 (tmm) REVERT: SQ 12 LYS cc_start: 0.9095 (pptt) cc_final: 0.8831 (pptt) REVERT: SS 1 MET cc_start: 0.7545 (ppp) cc_final: 0.6343 (ppp) REVERT: ST 1 MET cc_start: 0.7320 (tmm) cc_final: 0.6624 (tmm) REVERT: SV 1 MET cc_start: 0.7724 (pmm) cc_final: 0.7140 (pmm) REVERT: SX 1 MET cc_start: 0.8274 (tmm) cc_final: 0.7405 (tmm) REVERT: SY 2 GLU cc_start: 0.8091 (pp20) cc_final: 0.7839 (pm20) REVERT: SY 7 LEU cc_start: 0.9020 (tt) cc_final: 0.8756 (mt) REVERT: S0 9 LYS cc_start: 0.9450 (mmmt) cc_final: 0.9179 (mttp) REVERT: S2 1 MET cc_start: 0.7043 (ptm) cc_final: 0.6650 (ptp) REVERT: S4 1 MET cc_start: 0.7161 (ppp) cc_final: 0.6351 (ppp) REVERT: S5 1 MET cc_start: 0.7172 (ttp) cc_final: 0.6563 (tmm) REVERT: S7 6 LYS cc_start: 0.8740 (mtmt) cc_final: 0.8492 (ptmm) REVERT: TA 1 MET cc_start: 0.7827 (ptm) cc_final: 0.6016 (pmm) REVERT: TH 1 MET cc_start: 0.8417 (tmm) cc_final: 0.7304 (tmm) REVERT: TI 1 MET cc_start: 0.7646 (ptm) cc_final: 0.6750 (pmm) REVERT: TM 1 MET cc_start: 0.6933 (ptp) cc_final: 0.5860 (ptt) REVERT: TM 13 ASP cc_start: 0.9098 (m-30) cc_final: 0.8789 (m-30) REVERT: TO 1 MET cc_start: 0.7162 (ppp) cc_final: 0.6929 (ppp) REVERT: TP 9 LYS cc_start: 0.9243 (tmtt) cc_final: 0.9043 (tptp) REVERT: TQ 1 MET cc_start: 0.7554 (ptp) cc_final: 0.6935 (ptt) REVERT: TQ 11 PHE cc_start: 0.7169 (m-10) cc_final: 0.6916 (m-10) REVERT: TR 17 LYS cc_start: 0.8682 (ptmm) cc_final: 0.8338 (ptmm) REVERT: TS 1 MET cc_start: 0.5707 (ppp) cc_final: 0.4292 (ppp) REVERT: TS 9 LYS cc_start: 0.8526 (pptt) cc_final: 0.8248 (pttt) REVERT: TT 9 LYS cc_start: 0.9271 (ttmm) cc_final: 0.9054 (mmmm) REVERT: TV 12 LYS cc_start: 0.9246 (tmtt) cc_final: 0.9027 (tptp) REVERT: TW 1 MET cc_start: 0.6336 (ppp) cc_final: 0.5577 (ppp) REVERT: TX 1 MET cc_start: 0.8061 (tmm) cc_final: 0.7020 (tmm) REVERT: TX 9 LYS cc_start: 0.9032 (tttm) cc_final: 0.8380 (tptp) REVERT: TZ 1 MET cc_start: 0.6531 (tmm) cc_final: 0.6078 (tmm) REVERT: T0 1 MET cc_start: 0.6597 (ppp) cc_final: 0.5499 (ppp) REVERT: T1 1 MET cc_start: 0.7864 (ttt) cc_final: 0.7261 (tmm) REVERT: T2 12 LYS cc_start: 0.9277 (tmtt) cc_final: 0.8947 (ptmm) REVERT: T3 12 LYS cc_start: 0.8839 (mmpt) cc_final: 0.8426 (tppt) REVERT: T5 1 MET cc_start: 0.8346 (tmm) cc_final: 0.7953 (tmm) REVERT: T6 1 MET cc_start: 0.7661 (ptm) cc_final: 0.6610 (ptp) REVERT: T9 1 MET cc_start: 0.8220 (tmm) cc_final: 0.6597 (tmm) REVERT: UA 1 MET cc_start: 0.5314 (ptm) cc_final: 0.5049 (ptm) REVERT: UC 1 MET cc_start: 0.7122 (ppp) cc_final: 0.6041 (ppp) REVERT: UD 1 MET cc_start: 0.8248 (tmm) cc_final: 0.7718 (tmm) REVERT: UE 1 MET cc_start: 0.6952 (ptm) cc_final: 0.6391 (ptp) REVERT: UF 1 MET cc_start: 0.8217 (tmm) cc_final: 0.6954 (tmm) REVERT: UG 1 MET cc_start: 0.7126 (ppp) cc_final: 0.6686 (ppp) REVERT: UK 1 MET cc_start: 0.7074 (ppp) cc_final: 0.6338 (ppp) REVERT: UM 13 ASP cc_start: 0.8548 (m-30) cc_final: 0.8242 (m-30) REVERT: UN 1 MET cc_start: 0.6570 (ppp) cc_final: 0.5681 (ppp) REVERT: UO 1 MET cc_start: 0.6948 (ppp) cc_final: 0.5901 (ppp) REVERT: UQ 12 LYS cc_start: 0.9233 (tttm) cc_final: 0.9005 (tptp) REVERT: US 1 MET cc_start: 0.7619 (ppp) cc_final: 0.6935 (ppp) REVERT: UT 9 LYS cc_start: 0.9188 (tptm) cc_final: 0.8946 (tptp) REVERT: UU 9 LYS cc_start: 0.9052 (tppt) cc_final: 0.8685 (tppt) REVERT: UU 13 ASP cc_start: 0.8730 (m-30) cc_final: 0.8496 (m-30) REVERT: UW 1 MET cc_start: 0.6650 (ppp) cc_final: 0.6399 (ppp) REVERT: UX 9 LYS cc_start: 0.9199 (ttmm) cc_final: 0.8939 (mtmm) REVERT: U0 8 PHE cc_start: 0.8351 (t80) cc_final: 0.7742 (t80) REVERT: U1 1 MET cc_start: 0.8109 (tmm) cc_final: 0.6960 (tmm) REVERT: U2 9 LYS cc_start: 0.9229 (mtmm) cc_final: 0.8822 (mtmm) REVERT: U2 13 ASP cc_start: 0.9087 (m-30) cc_final: 0.8801 (m-30) REVERT: U4 1 MET cc_start: 0.5948 (ppp) cc_final: 0.4991 (ppp) REVERT: U5 1 MET cc_start: 0.7981 (tmm) cc_final: 0.6511 (tmm) REVERT: U6 7 LEU cc_start: 0.9107 (tp) cc_final: 0.8897 (tt) REVERT: U9 1 MET cc_start: 0.8389 (tmm) cc_final: 0.7731 (tmm) REVERT: VA 1 MET cc_start: 0.6607 (ptm) cc_final: 0.6168 (ptm) REVERT: VA 13 ASP cc_start: 0.9072 (m-30) cc_final: 0.8840 (m-30) REVERT: VC 19 LEU cc_start: 0.9027 (tp) cc_final: 0.8815 (mt) REVERT: VD 1 MET cc_start: 0.7891 (tmm) cc_final: 0.7403 (tmm) REVERT: VE 1 MET cc_start: 0.5410 (ptm) cc_final: 0.4475 (ptt) REVERT: VG 1 MET cc_start: 0.6167 (ppp) cc_final: 0.4997 (ppp) REVERT: VH 1 MET cc_start: 0.8072 (tmm) cc_final: 0.7125 (tmm) REVERT: VK 1 MET cc_start: 0.6587 (ppp) cc_final: 0.5997 (ppp) REVERT: VL 9 LYS cc_start: 0.9336 (tmtt) cc_final: 0.9073 (tptp) REVERT: VM 17 LYS cc_start: 0.8873 (ttpt) cc_final: 0.8348 (mmmt) REVERT: VQ 1 MET cc_start: 0.5899 (ptm) cc_final: 0.5030 (ptt) REVERT: VQ 2 GLU cc_start: 0.7635 (pp20) cc_final: 0.7355 (pp20) REVERT: VU 6 LYS cc_start: 0.9160 (ptpp) cc_final: 0.8602 (mtmm) REVERT: VU 12 LYS cc_start: 0.9162 (tmtt) cc_final: 0.8813 (tmtt) REVERT: VV 1 MET cc_start: 0.6584 (pmm) cc_final: 0.6349 (pmm) outliers start: 0 outliers final: 0 residues processed: 4580 average time/residue: 1.3451 time to fit residues: 10581.8610 Evaluate side-chains 3661 residues out of total 15120 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3661 time to evaluate : 16.873 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 817 optimal weight: 2.9990 chunk 1058 optimal weight: 7.9990 chunk 1419 optimal weight: 10.0000 chunk 408 optimal weight: 2.9990 chunk 1228 optimal weight: 4.9990 chunk 196 optimal weight: 8.9990 chunk 370 optimal weight: 2.9990 chunk 1334 optimal weight: 0.9980 chunk 558 optimal weight: 7.9990 chunk 1370 optimal weight: 2.9990 chunk 169 optimal weight: 0.9980 overall best weight: 2.1986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: CV 21 ASN F9 21 ASN JH 21 ASN MV 21 ASN P5 21 ASN UH 21 ASN Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3696 r_free = 0.3696 target = 0.069635 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 34)----------------| | r_work = 0.3575 r_free = 0.3575 target = 0.065122 restraints weight = 723678.719| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 29)----------------| | r_work = 0.3604 r_free = 0.3604 target = 0.066190 restraints weight = 432892.686| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 33)----------------| | r_work = 0.3624 r_free = 0.3624 target = 0.066922 restraints weight = 283950.910| |-----------------------------------------------------------------------------| r_work (final): 0.3627 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7978 moved from start: 0.6828 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.041 151200 Z= 0.215 Angle : 0.636 14.277 198240 Z= 0.305 Chirality : 0.031 0.266 20160 Planarity : 0.002 0.024 23520 Dihedral : 4.297 21.625 16800 Min Nonbonded Distance : 2.068 Molprobity Statistics. All-atom Clashscore : 16.37 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.78 % Favored : 99.22 % Rotamer: Outliers : 0.00 % Allowed : 0.73 % Favored : 99.27 % 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: 1.86 (0.06), residues: 15960 helix: 1.73 (0.04), residues: 13315 sheet: None (None), residues: 0 loop : -1.33 (0.10), residues: 2645 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.053 0.002 PHEU6 11 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 123747.59 seconds wall clock time: 2113 minutes 24.24 seconds (126804.24 seconds total)