Starting phenix.real_space_refine on Thu Mar 14 20:44:10 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ika_35507/03_2024/8ika_35507.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ika_35507/03_2024/8ika_35507.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.75 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ika_35507/03_2024/8ika_35507.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ika_35507/03_2024/8ika_35507.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ika_35507/03_2024/8ika_35507.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ika_35507/03_2024/8ika_35507.pdb" } resolution = 2.75 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= 0.002 sd= 0.114 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 120 5.16 5 C 76680 2.51 5 N 21240 2.21 5 O 24000 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A1 ARG 6": "NH1" <-> "NH2" Residue "A1 GLU 13": "OE1" <-> "OE2" Residue "A1 ARG 25": "NH1" <-> "NH2" Residue "A1 ARG 29": "NH1" <-> "NH2" Residue "A1 ARG 34": "NH1" <-> "NH2" Residue "A1 ARG 35": "NH1" <-> "NH2" Residue "A1 ARG 54": "NH1" <-> "NH2" Residue "A1 ARG 70": "NH1" <-> "NH2" Residue "A1 ARG 77": "NH1" <-> "NH2" Residue "A1 ARG 79": "NH1" <-> "NH2" Residue "A1 ARG 86": "NH1" <-> "NH2" Residue "A1 ARG 94": "NH1" <-> "NH2" Residue "A1 ARG 117": "NH1" <-> "NH2" Residue "A1 ARG 132": "NH1" <-> "NH2" Residue "A1 ARG 161": "NH1" <-> "NH2" Residue "A1 ARG 218": "NH1" <-> "NH2" Residue "A1 ARG 243": "NH1" <-> "NH2" Residue "A2 ARG 6": "NH1" <-> "NH2" Residue "A2 GLU 13": "OE1" <-> "OE2" Residue "A2 ARG 25": "NH1" <-> "NH2" Residue "A2 ARG 29": "NH1" <-> "NH2" Residue "A2 ARG 34": "NH1" <-> "NH2" Residue "A2 ARG 35": "NH1" <-> "NH2" Residue "A2 ARG 54": "NH1" <-> "NH2" Residue "A2 ARG 70": "NH1" <-> "NH2" Residue "A2 ARG 77": "NH1" <-> "NH2" Residue "A2 ARG 79": "NH1" <-> "NH2" Residue "A2 ARG 86": "NH1" <-> "NH2" Residue "A2 ARG 94": "NH1" <-> "NH2" Residue "A2 ARG 117": "NH1" <-> "NH2" Residue "A2 ARG 132": "NH1" <-> "NH2" Residue "A2 ARG 161": "NH1" <-> "NH2" Residue "A2 ARG 218": "NH1" <-> "NH2" Residue "A2 ARG 243": "NH1" <-> "NH2" Residue "A3 ARG 6": "NH1" <-> "NH2" Residue "A3 GLU 13": "OE1" <-> "OE2" Residue "A3 ARG 25": "NH1" <-> "NH2" Residue "A3 ARG 29": "NH1" <-> "NH2" Residue "A3 ARG 34": "NH1" <-> "NH2" Residue "A3 ARG 35": "NH1" <-> "NH2" Residue "A3 ARG 54": "NH1" <-> "NH2" Residue "A3 ARG 70": "NH1" <-> "NH2" Residue "A3 ARG 77": "NH1" <-> "NH2" Residue "A3 ARG 79": "NH1" <-> "NH2" Residue "A3 ARG 86": "NH1" <-> "NH2" Residue "A3 ARG 94": "NH1" <-> "NH2" Residue "A3 ARG 117": "NH1" <-> "NH2" Residue "A3 ARG 132": "NH1" <-> "NH2" Residue "A3 ARG 161": "NH1" <-> "NH2" Residue "A3 ARG 218": "NH1" <-> "NH2" Residue "A3 ARG 243": "NH1" <-> "NH2" Residue "A4 ARG 6": "NH1" <-> "NH2" Residue "A4 GLU 13": "OE1" <-> "OE2" Residue "A4 ARG 25": "NH1" <-> "NH2" Residue "A4 ARG 29": "NH1" <-> "NH2" Residue "A4 ARG 34": "NH1" <-> "NH2" Residue "A4 ARG 35": "NH1" <-> "NH2" Residue "A4 ARG 54": "NH1" <-> "NH2" Residue "A4 ARG 70": "NH1" <-> "NH2" Residue "A4 ARG 77": "NH1" <-> "NH2" Residue "A4 ARG 79": "NH1" <-> "NH2" Residue "A4 ARG 86": "NH1" <-> "NH2" Residue "A4 ARG 94": "NH1" <-> "NH2" Residue "A4 ARG 117": "NH1" <-> "NH2" Residue "A4 ARG 132": "NH1" <-> "NH2" Residue "A4 ARG 161": "NH1" <-> "NH2" Residue "A4 ARG 218": "NH1" <-> "NH2" Residue "A4 ARG 243": "NH1" <-> "NH2" Residue "A5 ARG 6": "NH1" <-> "NH2" Residue "A5 GLU 13": "OE1" <-> "OE2" Residue "A5 ARG 25": "NH1" <-> "NH2" Residue "A5 ARG 29": "NH1" <-> "NH2" Residue "A5 ARG 34": "NH1" <-> "NH2" Residue "A5 ARG 35": "NH1" <-> "NH2" Residue "A5 ARG 54": "NH1" <-> "NH2" Residue "A5 ARG 70": "NH1" <-> "NH2" Residue "A5 ARG 77": "NH1" <-> "NH2" Residue "A5 ARG 79": "NH1" <-> "NH2" Residue "A5 ARG 86": "NH1" <-> "NH2" Residue "A5 ARG 94": "NH1" <-> "NH2" Residue "A5 ARG 117": "NH1" <-> "NH2" Residue "A5 ARG 132": "NH1" <-> "NH2" Residue "A5 ARG 161": "NH1" <-> "NH2" Residue "A5 ARG 218": "NH1" <-> "NH2" Residue "A5 ARG 243": "NH1" <-> "NH2" Residue "A6 ARG 6": "NH1" <-> "NH2" Residue "A6 GLU 13": "OE1" <-> "OE2" Residue "A6 ARG 25": "NH1" <-> "NH2" Residue "A6 ARG 29": "NH1" <-> "NH2" Residue "A6 ARG 34": "NH1" <-> "NH2" Residue "A6 ARG 35": "NH1" <-> "NH2" Residue "A6 ARG 54": "NH1" <-> "NH2" Residue "A6 ARG 70": "NH1" <-> "NH2" Residue "A6 ARG 77": "NH1" <-> "NH2" Residue "A6 ARG 79": "NH1" <-> "NH2" Residue "A6 ARG 86": "NH1" <-> "NH2" Residue "A6 ARG 94": "NH1" <-> "NH2" Residue "A6 ARG 117": "NH1" <-> "NH2" Residue "A6 ARG 132": "NH1" <-> "NH2" Residue "A6 ARG 161": "NH1" <-> "NH2" Residue "A6 ARG 218": "NH1" <-> "NH2" Residue "A6 ARG 243": "NH1" <-> "NH2" Residue "A7 ARG 6": "NH1" <-> "NH2" Residue "A7 GLU 13": "OE1" <-> "OE2" Residue "A7 ARG 25": "NH1" <-> "NH2" Residue "A7 ARG 29": "NH1" <-> "NH2" Residue "A7 ARG 34": "NH1" <-> "NH2" Residue "A7 ARG 35": "NH1" <-> "NH2" Residue "A7 ARG 54": "NH1" <-> "NH2" Residue "A7 ARG 70": "NH1" <-> "NH2" Residue "A7 ARG 77": "NH1" <-> "NH2" Residue "A7 ARG 79": "NH1" <-> "NH2" Residue "A7 ARG 86": "NH1" <-> "NH2" Residue "A7 ARG 94": "NH1" <-> "NH2" Residue "A7 ARG 117": "NH1" <-> "NH2" Residue "A7 ARG 132": "NH1" <-> "NH2" Residue "A7 ARG 161": "NH1" <-> "NH2" Residue "A7 ARG 218": "NH1" <-> "NH2" Residue "A7 ARG 243": "NH1" <-> "NH2" Residue "A8 ARG 6": "NH1" <-> "NH2" Residue "A8 GLU 13": "OE1" <-> "OE2" Residue "A8 ARG 25": "NH1" <-> "NH2" Residue "A8 ARG 29": "NH1" <-> "NH2" Residue "A8 ARG 34": "NH1" <-> "NH2" Residue "A8 ARG 35": "NH1" <-> "NH2" Residue "A8 ARG 54": "NH1" <-> "NH2" Residue "A8 ARG 70": "NH1" <-> "NH2" Residue "A8 ARG 77": "NH1" <-> "NH2" Residue "A8 ARG 79": "NH1" <-> "NH2" Residue "A8 ARG 86": "NH1" <-> "NH2" Residue "A8 ARG 94": "NH1" <-> "NH2" Residue "A8 ARG 117": "NH1" <-> "NH2" Residue "A8 ARG 132": "NH1" <-> "NH2" Residue "A8 ARG 161": "NH1" <-> "NH2" Residue "A8 ARG 218": "NH1" <-> "NH2" Residue "A8 ARG 243": "NH1" <-> "NH2" Residue "A9 ARG 6": "NH1" <-> "NH2" Residue "A9 GLU 13": "OE1" <-> "OE2" Residue "A9 ARG 25": "NH1" <-> "NH2" Residue "A9 ARG 29": "NH1" <-> "NH2" Residue "A9 ARG 34": "NH1" <-> "NH2" Residue "A9 ARG 35": "NH1" <-> "NH2" Residue "A9 ARG 54": "NH1" <-> "NH2" Residue "A9 ARG 70": "NH1" <-> "NH2" Residue "A9 ARG 77": "NH1" <-> "NH2" Residue "A9 ARG 79": "NH1" <-> "NH2" Residue "A9 ARG 86": "NH1" <-> "NH2" Residue "A9 ARG 94": "NH1" <-> "NH2" Residue "A9 ARG 117": "NH1" <-> "NH2" Residue "A9 ARG 132": "NH1" <-> "NH2" Residue "A9 ARG 161": "NH1" <-> "NH2" Residue "A9 ARG 218": "NH1" <-> "NH2" Residue "A9 ARG 243": "NH1" <-> "NH2" Residue "AA ARG 6": "NH1" <-> "NH2" Residue "AA GLU 13": "OE1" <-> "OE2" Residue "AA ARG 25": "NH1" <-> "NH2" Residue "AA ARG 29": "NH1" <-> "NH2" Residue "AA ARG 34": "NH1" <-> "NH2" Residue "AA ARG 35": "NH1" <-> "NH2" Residue "AA ARG 54": "NH1" <-> "NH2" Residue "AA ARG 70": "NH1" <-> "NH2" Residue "AA ARG 77": "NH1" <-> "NH2" Residue "AA ARG 79": "NH1" <-> "NH2" Residue "AA ARG 86": "NH1" <-> "NH2" Residue "AA ARG 94": "NH1" <-> "NH2" Residue "AA ARG 117": "NH1" <-> "NH2" Residue "AA ARG 132": "NH1" <-> "NH2" Residue "AA ARG 161": "NH1" <-> "NH2" Residue "AA ARG 218": "NH1" <-> "NH2" Residue "AA ARG 243": "NH1" <-> "NH2" Residue "AB ARG 6": "NH1" <-> "NH2" Residue "AB GLU 13": "OE1" <-> "OE2" Residue "AB ARG 25": "NH1" <-> "NH2" Residue "AB ARG 29": "NH1" <-> "NH2" Residue "AB ARG 34": "NH1" <-> "NH2" Residue "AB ARG 35": "NH1" <-> "NH2" Residue "AB ARG 54": "NH1" <-> "NH2" Residue "AB ARG 70": "NH1" <-> "NH2" Residue "AB ARG 77": "NH1" <-> "NH2" Residue "AB ARG 79": "NH1" <-> "NH2" Residue "AB ARG 86": "NH1" <-> "NH2" Residue "AB ARG 94": "NH1" <-> "NH2" Residue "AB ARG 117": "NH1" <-> "NH2" Residue "AB ARG 132": "NH1" <-> "NH2" Residue "AB ARG 161": "NH1" <-> "NH2" Residue "AB ARG 218": "NH1" <-> "NH2" Residue "AB ARG 243": "NH1" <-> "NH2" Residue "AC ARG 6": "NH1" <-> "NH2" Residue "AC GLU 13": "OE1" <-> "OE2" Residue "AC ARG 25": "NH1" <-> "NH2" Residue "AC ARG 29": "NH1" <-> "NH2" Residue "AC ARG 34": "NH1" <-> "NH2" Residue "AC ARG 35": "NH1" <-> "NH2" Residue "AC ARG 54": "NH1" <-> "NH2" Residue "AC ARG 70": "NH1" <-> "NH2" Residue "AC ARG 77": "NH1" <-> "NH2" Residue "AC ARG 79": "NH1" <-> "NH2" Residue "AC ARG 86": "NH1" <-> "NH2" Residue "AC ARG 94": "NH1" <-> "NH2" Residue "AC ARG 117": "NH1" <-> "NH2" Residue "AC ARG 132": "NH1" <-> "NH2" Residue "AC ARG 161": "NH1" <-> "NH2" Residue "AC ARG 218": "NH1" <-> "NH2" Residue "AC ARG 243": "NH1" <-> "NH2" Residue "AD ARG 6": "NH1" <-> "NH2" Residue "AD GLU 13": "OE1" <-> "OE2" Residue "AD ARG 25": "NH1" <-> "NH2" Residue "AD ARG 29": "NH1" <-> "NH2" Residue "AD ARG 34": "NH1" <-> "NH2" Residue "AD ARG 35": "NH1" <-> "NH2" Residue "AD ARG 54": "NH1" <-> "NH2" Residue "AD ARG 70": "NH1" <-> "NH2" Residue "AD ARG 77": "NH1" <-> "NH2" Residue "AD ARG 79": "NH1" <-> "NH2" Residue "AD ARG 86": "NH1" <-> "NH2" Residue "AD ARG 94": "NH1" <-> "NH2" Residue "AD ARG 117": "NH1" <-> "NH2" Residue "AD ARG 132": "NH1" <-> "NH2" Residue "AD ARG 161": "NH1" <-> "NH2" Residue "AD ARG 218": "NH1" <-> "NH2" Residue "AD ARG 243": "NH1" <-> "NH2" Residue "AE ARG 6": "NH1" <-> "NH2" Residue "AE GLU 13": "OE1" <-> "OE2" Residue "AE ARG 25": "NH1" <-> "NH2" Residue "AE ARG 29": "NH1" <-> "NH2" Residue "AE ARG 34": "NH1" <-> "NH2" Residue "AE ARG 35": "NH1" <-> "NH2" Residue "AE ARG 54": "NH1" <-> "NH2" Residue "AE ARG 70": "NH1" <-> "NH2" Residue "AE ARG 77": "NH1" <-> "NH2" Residue "AE ARG 79": "NH1" <-> "NH2" Residue "AE ARG 86": "NH1" <-> "NH2" Residue "AE ARG 94": "NH1" <-> "NH2" Residue "AE ARG 117": "NH1" <-> "NH2" Residue "AE ARG 132": "NH1" <-> "NH2" Residue "AE ARG 161": "NH1" <-> "NH2" Residue "AE ARG 218": "NH1" <-> "NH2" Residue "AE ARG 243": "NH1" <-> "NH2" Residue "AF ARG 6": "NH1" <-> "NH2" Residue "AF GLU 13": "OE1" <-> "OE2" Residue "AF ARG 25": "NH1" <-> "NH2" Residue "AF ARG 29": "NH1" <-> "NH2" Residue "AF ARG 34": "NH1" <-> "NH2" Residue "AF ARG 35": "NH1" <-> "NH2" Residue "AF ARG 54": "NH1" <-> "NH2" Residue "AF ARG 70": "NH1" <-> "NH2" Residue "AF ARG 77": "NH1" <-> "NH2" Residue "AF ARG 79": "NH1" <-> "NH2" Residue "AF ARG 86": "NH1" <-> "NH2" Residue "AF ARG 94": "NH1" <-> "NH2" Residue "AF ARG 117": "NH1" <-> "NH2" Residue "AF ARG 132": "NH1" <-> "NH2" Residue "AF ARG 161": "NH1" <-> "NH2" Residue "AF ARG 218": "NH1" <-> "NH2" Residue "AF ARG 243": "NH1" <-> "NH2" Residue "AG ARG 6": "NH1" <-> "NH2" Residue "AG GLU 13": "OE1" <-> "OE2" Residue "AG ARG 25": "NH1" <-> "NH2" Residue "AG ARG 29": "NH1" <-> "NH2" Residue "AG ARG 34": "NH1" <-> "NH2" Residue "AG ARG 35": "NH1" <-> "NH2" Residue "AG ARG 54": "NH1" <-> "NH2" Residue "AG ARG 70": "NH1" <-> "NH2" Residue "AG ARG 77": "NH1" <-> "NH2" Residue "AG ARG 79": "NH1" <-> "NH2" Residue "AG ARG 86": "NH1" <-> "NH2" Residue "AG ARG 94": "NH1" <-> "NH2" Residue "AG ARG 117": "NH1" <-> "NH2" Residue "AG ARG 132": "NH1" <-> "NH2" Residue "AG ARG 161": "NH1" <-> "NH2" Residue "AG ARG 218": "NH1" <-> "NH2" Residue "AG ARG 243": "NH1" <-> "NH2" Residue "AH ARG 6": "NH1" <-> "NH2" Residue "AH GLU 13": "OE1" <-> "OE2" Residue "AH ARG 25": "NH1" <-> "NH2" Residue "AH ARG 29": "NH1" <-> "NH2" Residue "AH ARG 34": "NH1" <-> "NH2" Residue "AH ARG 35": "NH1" <-> "NH2" Residue "AH ARG 54": "NH1" <-> "NH2" Residue "AH ARG 70": "NH1" <-> "NH2" Residue "AH ARG 77": "NH1" <-> "NH2" Residue "AH ARG 79": "NH1" <-> "NH2" Residue "AH ARG 86": "NH1" <-> "NH2" Residue "AH ARG 94": "NH1" <-> "NH2" Residue "AH ARG 117": "NH1" <-> "NH2" Residue "AH ARG 132": "NH1" <-> "NH2" Residue "AH ARG 161": "NH1" <-> "NH2" Residue "AH ARG 218": "NH1" <-> "NH2" Residue "AH ARG 243": "NH1" <-> "NH2" Residue "AI ARG 6": "NH1" <-> "NH2" Residue "AI GLU 13": "OE1" <-> "OE2" Residue "AI ARG 25": "NH1" <-> "NH2" Residue "AI ARG 29": "NH1" <-> "NH2" Residue "AI ARG 34": "NH1" <-> "NH2" Residue "AI ARG 35": "NH1" <-> "NH2" Residue "AI ARG 54": "NH1" <-> "NH2" Residue "AI ARG 70": "NH1" <-> "NH2" Residue "AI ARG 77": "NH1" <-> "NH2" Residue "AI ARG 79": "NH1" <-> "NH2" Residue "AI ARG 86": "NH1" <-> "NH2" Residue "AI ARG 94": "NH1" <-> "NH2" Residue "AI ARG 117": "NH1" <-> "NH2" Residue "AI ARG 132": "NH1" <-> "NH2" Residue "AI ARG 161": "NH1" <-> "NH2" Residue "AI ARG 218": "NH1" <-> "NH2" Residue "AI ARG 243": "NH1" <-> "NH2" Residue "AJ ARG 6": "NH1" <-> "NH2" Residue "AJ GLU 13": "OE1" <-> "OE2" Residue "AJ ARG 25": "NH1" <-> "NH2" Residue "AJ ARG 29": "NH1" <-> "NH2" Residue "AJ ARG 34": "NH1" <-> "NH2" Residue "AJ ARG 35": "NH1" <-> "NH2" Residue "AJ ARG 54": "NH1" <-> "NH2" Residue "AJ ARG 70": "NH1" <-> "NH2" Residue "AJ ARG 77": "NH1" <-> "NH2" Residue "AJ ARG 79": "NH1" <-> "NH2" Residue "AJ ARG 86": "NH1" <-> "NH2" Residue "AJ ARG 94": "NH1" <-> "NH2" Residue "AJ ARG 117": "NH1" <-> "NH2" Residue "AJ ARG 132": "NH1" <-> "NH2" Residue "AJ ARG 161": "NH1" <-> "NH2" Residue "AJ ARG 218": "NH1" <-> "NH2" Residue "AJ ARG 243": "NH1" <-> "NH2" Residue "AK ARG 6": "NH1" <-> "NH2" Residue "AK GLU 13": "OE1" <-> "OE2" Residue "AK ARG 25": "NH1" <-> "NH2" Residue "AK ARG 29": "NH1" <-> "NH2" Residue "AK ARG 34": "NH1" <-> "NH2" Residue "AK ARG 35": "NH1" <-> "NH2" Residue "AK ARG 54": "NH1" <-> "NH2" Residue "AK ARG 70": "NH1" <-> "NH2" Residue "AK ARG 77": "NH1" <-> "NH2" Residue "AK ARG 79": "NH1" <-> "NH2" Residue "AK ARG 86": "NH1" <-> "NH2" Residue "AK ARG 94": "NH1" <-> "NH2" Residue "AK ARG 117": "NH1" <-> "NH2" Residue "AK ARG 132": "NH1" <-> "NH2" Residue "AK ARG 161": "NH1" <-> "NH2" Residue "AK ARG 218": "NH1" <-> "NH2" Residue "AK ARG 243": "NH1" <-> "NH2" Residue "AL ARG 6": "NH1" <-> "NH2" Residue "AL GLU 13": "OE1" <-> "OE2" Residue "AL ARG 25": "NH1" <-> "NH2" Residue "AL ARG 29": "NH1" <-> "NH2" Residue "AL ARG 34": "NH1" <-> "NH2" Residue "AL ARG 35": "NH1" <-> "NH2" Residue "AL ARG 54": "NH1" <-> "NH2" Residue "AL ARG 70": "NH1" <-> "NH2" Residue "AL ARG 77": "NH1" <-> "NH2" Residue "AL ARG 79": "NH1" <-> "NH2" Residue "AL ARG 86": "NH1" <-> "NH2" Residue "AL ARG 94": "NH1" <-> "NH2" Residue "AL ARG 117": "NH1" <-> "NH2" Residue "AL ARG 132": "NH1" <-> "NH2" Residue "AL ARG 161": "NH1" <-> "NH2" Residue "AL ARG 218": "NH1" <-> "NH2" Residue "AL ARG 243": "NH1" <-> "NH2" Residue "AM ARG 6": "NH1" <-> "NH2" Residue "AM GLU 13": "OE1" <-> "OE2" Residue "AM ARG 25": "NH1" <-> "NH2" Residue "AM ARG 29": "NH1" <-> "NH2" Residue "AM ARG 34": "NH1" <-> "NH2" Residue "AM ARG 35": "NH1" <-> "NH2" Residue "AM ARG 54": "NH1" <-> "NH2" Residue "AM ARG 70": "NH1" <-> "NH2" Residue "AM ARG 77": "NH1" <-> "NH2" Residue "AM ARG 79": "NH1" <-> "NH2" Residue "AM ARG 86": "NH1" <-> "NH2" Residue "AM ARG 94": "NH1" <-> "NH2" Residue "AM ARG 117": "NH1" <-> "NH2" Residue "AM ARG 132": "NH1" <-> "NH2" Residue "AM ARG 161": "NH1" <-> "NH2" Residue "AM ARG 218": "NH1" <-> "NH2" Residue "AM ARG 243": "NH1" <-> "NH2" Residue "AN ARG 6": "NH1" <-> "NH2" Residue "AN GLU 13": "OE1" <-> "OE2" Residue "AN ARG 25": "NH1" <-> "NH2" Residue "AN ARG 29": "NH1" <-> "NH2" Residue "AN ARG 34": "NH1" <-> "NH2" Residue "AN ARG 35": "NH1" <-> "NH2" Residue "AN ARG 54": "NH1" <-> "NH2" Residue "AN ARG 70": "NH1" <-> "NH2" Residue "AN ARG 77": "NH1" <-> "NH2" Residue "AN ARG 79": "NH1" <-> "NH2" Residue "AN ARG 86": "NH1" <-> "NH2" Residue "AN ARG 94": "NH1" <-> "NH2" Residue "AN ARG 117": "NH1" <-> "NH2" Residue "AN ARG 132": "NH1" <-> "NH2" Residue "AN ARG 161": "NH1" <-> "NH2" Residue "AN ARG 218": "NH1" <-> "NH2" Residue "AN ARG 243": "NH1" <-> "NH2" Residue "AO ARG 6": "NH1" <-> "NH2" Residue "AO GLU 13": "OE1" <-> "OE2" Residue "AO ARG 25": "NH1" <-> "NH2" Residue "AO ARG 29": "NH1" <-> "NH2" Residue "AO ARG 34": "NH1" <-> "NH2" Residue "AO ARG 35": "NH1" <-> "NH2" Residue "AO ARG 54": "NH1" <-> "NH2" Residue "AO ARG 70": "NH1" <-> "NH2" Residue "AO ARG 77": "NH1" <-> "NH2" Residue "AO ARG 79": "NH1" <-> "NH2" Residue "AO ARG 86": "NH1" <-> "NH2" Residue "AO ARG 94": "NH1" <-> "NH2" Residue "AO ARG 117": "NH1" <-> "NH2" Residue "AO ARG 132": "NH1" <-> "NH2" Residue "AO ARG 161": "NH1" <-> "NH2" Residue "AO ARG 218": "NH1" <-> "NH2" Residue "AO ARG 243": "NH1" <-> "NH2" Residue "AP ARG 6": "NH1" <-> "NH2" Residue "AP GLU 13": "OE1" <-> "OE2" Residue "AP ARG 25": "NH1" <-> "NH2" Residue "AP ARG 29": "NH1" <-> "NH2" Residue "AP ARG 34": "NH1" <-> "NH2" Residue "AP ARG 35": "NH1" <-> "NH2" Residue "AP ARG 54": "NH1" <-> "NH2" Residue "AP ARG 70": "NH1" <-> "NH2" Residue "AP ARG 77": "NH1" <-> "NH2" Residue "AP ARG 79": "NH1" <-> "NH2" Residue "AP ARG 86": "NH1" <-> "NH2" Residue "AP ARG 94": "NH1" <-> "NH2" Residue "AP ARG 117": "NH1" <-> "NH2" Residue "AP ARG 132": "NH1" <-> "NH2" Residue "AP ARG 161": "NH1" <-> "NH2" Residue "AP ARG 218": "NH1" <-> "NH2" Residue "AP ARG 243": "NH1" <-> "NH2" Residue "AQ ARG 6": "NH1" <-> "NH2" Residue "AQ GLU 13": "OE1" <-> "OE2" Residue "AQ ARG 25": "NH1" <-> "NH2" Residue "AQ ARG 29": "NH1" <-> "NH2" Residue "AQ ARG 34": "NH1" <-> "NH2" Residue "AQ ARG 35": "NH1" <-> "NH2" Residue "AQ ARG 54": "NH1" <-> "NH2" Residue "AQ ARG 70": "NH1" <-> "NH2" Residue "AQ ARG 77": "NH1" <-> "NH2" Residue "AQ ARG 79": "NH1" <-> "NH2" Residue "AQ ARG 86": "NH1" <-> "NH2" Residue "AQ ARG 94": "NH1" <-> "NH2" Residue "AQ ARG 117": "NH1" <-> "NH2" Residue "AQ ARG 132": "NH1" <-> "NH2" Residue "AQ ARG 161": "NH1" <-> "NH2" Residue "AQ ARG 218": "NH1" <-> "NH2" Residue "AQ ARG 243": "NH1" <-> "NH2" Residue "AR ARG 6": "NH1" <-> "NH2" Residue "AR GLU 13": "OE1" <-> "OE2" Residue "AR ARG 25": "NH1" <-> "NH2" Residue "AR ARG 29": "NH1" <-> "NH2" Residue "AR ARG 34": "NH1" <-> "NH2" Residue "AR ARG 35": "NH1" <-> "NH2" Residue "AR ARG 54": "NH1" <-> "NH2" Residue "AR ARG 70": "NH1" <-> "NH2" Residue "AR ARG 77": "NH1" <-> "NH2" Residue "AR ARG 79": "NH1" <-> "NH2" Residue "AR ARG 86": "NH1" <-> "NH2" Residue "AR ARG 94": "NH1" <-> "NH2" Residue "AR ARG 117": "NH1" <-> "NH2" Residue "AR ARG 132": "NH1" <-> "NH2" Residue "AR ARG 161": "NH1" <-> "NH2" Residue "AR ARG 218": "NH1" <-> "NH2" Residue "AR ARG 243": "NH1" <-> "NH2" Residue "AS ARG 6": "NH1" <-> "NH2" Residue "AS GLU 13": "OE1" <-> "OE2" Residue "AS ARG 25": "NH1" <-> "NH2" Residue "AS ARG 29": "NH1" <-> "NH2" Residue "AS ARG 34": "NH1" <-> "NH2" Residue "AS ARG 35": "NH1" <-> "NH2" Residue "AS ARG 54": "NH1" <-> "NH2" Residue "AS ARG 70": "NH1" <-> "NH2" Residue "AS ARG 77": "NH1" <-> "NH2" Residue "AS ARG 79": "NH1" <-> "NH2" Residue "AS ARG 86": "NH1" <-> "NH2" Residue "AS ARG 94": "NH1" <-> "NH2" Residue "AS ARG 117": "NH1" <-> "NH2" Residue "AS ARG 132": "NH1" <-> "NH2" Residue "AS ARG 161": "NH1" <-> "NH2" Residue "AS ARG 218": "NH1" <-> "NH2" Residue "AS ARG 243": "NH1" <-> "NH2" Residue "AT ARG 6": "NH1" <-> "NH2" Residue "AT GLU 13": "OE1" <-> "OE2" Residue "AT ARG 25": "NH1" <-> "NH2" Residue "AT ARG 29": "NH1" <-> "NH2" Residue "AT ARG 34": "NH1" <-> "NH2" Residue "AT ARG 35": "NH1" <-> "NH2" Residue "AT ARG 54": "NH1" <-> "NH2" Residue "AT ARG 70": "NH1" <-> "NH2" Residue "AT ARG 77": "NH1" <-> "NH2" Residue "AT ARG 79": "NH1" <-> "NH2" Residue "AT ARG 86": "NH1" <-> "NH2" Residue "AT ARG 94": "NH1" <-> "NH2" Residue "AT ARG 117": "NH1" <-> "NH2" Residue "AT ARG 132": "NH1" <-> "NH2" Residue "AT ARG 161": "NH1" <-> "NH2" Residue "AT ARG 218": "NH1" <-> "NH2" Residue "AT ARG 243": "NH1" <-> "NH2" Residue "AU ARG 6": "NH1" <-> "NH2" Residue "AU GLU 13": "OE1" <-> "OE2" Residue "AU ARG 25": "NH1" <-> "NH2" Residue "AU ARG 29": "NH1" <-> "NH2" Residue "AU ARG 34": "NH1" <-> "NH2" Residue "AU ARG 35": "NH1" <-> "NH2" Residue "AU ARG 54": "NH1" <-> "NH2" Residue "AU ARG 70": "NH1" <-> "NH2" Residue "AU ARG 77": "NH1" <-> "NH2" Residue "AU ARG 79": "NH1" <-> "NH2" Residue "AU ARG 86": "NH1" <-> "NH2" Residue "AU ARG 94": "NH1" <-> "NH2" Residue "AU ARG 117": "NH1" <-> "NH2" Residue "AU ARG 132": "NH1" <-> "NH2" Residue "AU ARG 161": "NH1" <-> "NH2" Residue "AU ARG 218": "NH1" <-> "NH2" Residue "AU ARG 243": "NH1" <-> "NH2" Residue "AV ARG 6": "NH1" <-> "NH2" Residue "AV GLU 13": "OE1" <-> "OE2" Residue "AV ARG 25": "NH1" <-> "NH2" Residue "AV ARG 29": "NH1" <-> "NH2" Residue "AV ARG 34": "NH1" <-> "NH2" Residue "AV ARG 35": "NH1" <-> "NH2" Residue "AV ARG 54": "NH1" <-> "NH2" Residue "AV ARG 70": "NH1" <-> "NH2" Residue "AV ARG 77": "NH1" <-> "NH2" Residue "AV ARG 79": "NH1" <-> "NH2" Residue "AV ARG 86": "NH1" <-> "NH2" Residue "AV ARG 94": "NH1" <-> "NH2" Residue "AV ARG 117": "NH1" <-> "NH2" Residue "AV ARG 132": "NH1" <-> "NH2" Residue "AV ARG 161": "NH1" <-> "NH2" Residue "AV ARG 218": "NH1" <-> "NH2" Residue "AV ARG 243": "NH1" <-> "NH2" Residue "AW ARG 6": "NH1" <-> "NH2" Residue "AW GLU 13": "OE1" <-> "OE2" Residue "AW ARG 25": "NH1" <-> "NH2" Residue "AW ARG 29": "NH1" <-> "NH2" Residue "AW ARG 34": "NH1" <-> "NH2" Residue "AW ARG 35": "NH1" <-> "NH2" Residue "AW ARG 54": "NH1" <-> "NH2" Residue "AW ARG 70": "NH1" <-> "NH2" Residue "AW ARG 77": "NH1" <-> "NH2" Residue "AW ARG 79": "NH1" <-> "NH2" Residue "AW ARG 86": "NH1" <-> "NH2" Residue "AW ARG 94": "NH1" <-> "NH2" Residue "AW ARG 117": "NH1" <-> "NH2" Residue "AW ARG 132": "NH1" <-> "NH2" Residue "AW ARG 161": "NH1" <-> "NH2" Residue "AW ARG 218": "NH1" <-> "NH2" Residue "AW ARG 243": "NH1" <-> "NH2" Residue "AX ARG 6": "NH1" <-> "NH2" Residue "AX GLU 13": "OE1" <-> "OE2" Residue "AX ARG 25": "NH1" <-> "NH2" Residue "AX ARG 29": "NH1" <-> "NH2" Residue "AX ARG 34": "NH1" <-> "NH2" Residue "AX ARG 35": "NH1" <-> "NH2" Residue "AX ARG 54": "NH1" <-> "NH2" Residue "AX ARG 70": "NH1" <-> "NH2" Residue "AX ARG 77": "NH1" <-> "NH2" Residue "AX ARG 79": "NH1" <-> "NH2" Residue "AX ARG 86": "NH1" <-> "NH2" Residue "AX ARG 94": "NH1" <-> "NH2" Residue "AX ARG 117": "NH1" <-> "NH2" Residue "AX ARG 132": "NH1" <-> "NH2" Residue "AX ARG 161": "NH1" <-> "NH2" Residue "AX ARG 218": "NH1" <-> "NH2" Residue "AX ARG 243": "NH1" <-> "NH2" Residue "AY ARG 6": "NH1" <-> "NH2" Residue "AY GLU 13": "OE1" <-> "OE2" Residue "AY ARG 25": "NH1" <-> "NH2" Residue "AY ARG 29": "NH1" <-> "NH2" Residue "AY ARG 34": "NH1" <-> "NH2" Residue "AY ARG 35": "NH1" <-> "NH2" Residue "AY ARG 54": "NH1" <-> "NH2" Residue "AY ARG 70": "NH1" <-> "NH2" Residue "AY ARG 77": "NH1" <-> "NH2" Residue "AY ARG 79": "NH1" <-> "NH2" Residue "AY ARG 86": "NH1" <-> "NH2" Residue "AY ARG 94": "NH1" <-> "NH2" Residue "AY ARG 117": "NH1" <-> "NH2" Residue "AY ARG 132": "NH1" <-> "NH2" Residue "AY ARG 161": "NH1" <-> "NH2" Residue "AY ARG 218": "NH1" <-> "NH2" Residue "AY ARG 243": "NH1" <-> "NH2" Residue "AZ ARG 6": "NH1" <-> "NH2" Residue "AZ GLU 13": "OE1" <-> "OE2" Residue "AZ ARG 25": "NH1" <-> "NH2" Residue "AZ ARG 29": "NH1" <-> "NH2" Residue "AZ ARG 34": "NH1" <-> "NH2" Residue "AZ ARG 35": "NH1" <-> "NH2" Residue "AZ ARG 54": "NH1" <-> "NH2" Residue "AZ ARG 70": "NH1" <-> "NH2" Residue "AZ ARG 77": "NH1" <-> "NH2" Residue "AZ ARG 79": "NH1" <-> "NH2" Residue "AZ ARG 86": "NH1" <-> "NH2" Residue "AZ ARG 94": "NH1" <-> "NH2" Residue "AZ ARG 117": "NH1" <-> "NH2" Residue "AZ ARG 132": "NH1" <-> "NH2" Residue "AZ ARG 161": "NH1" <-> "NH2" Residue "AZ ARG 218": "NH1" <-> "NH2" Residue "AZ ARG 243": "NH1" <-> "NH2" Residue "Aa ARG 6": "NH1" <-> "NH2" Residue "Aa GLU 13": "OE1" <-> "OE2" Residue "Aa ARG 25": "NH1" <-> "NH2" Residue "Aa ARG 29": "NH1" <-> "NH2" Residue "Aa ARG 34": "NH1" <-> "NH2" Residue "Aa ARG 35": "NH1" <-> "NH2" Residue "Aa ARG 54": "NH1" <-> "NH2" Residue "Aa ARG 70": "NH1" <-> "NH2" Residue "Aa ARG 77": "NH1" <-> "NH2" Residue "Aa ARG 79": "NH1" <-> "NH2" Residue "Aa ARG 86": "NH1" <-> "NH2" Residue "Aa ARG 94": "NH1" <-> "NH2" Residue "Aa ARG 117": "NH1" <-> "NH2" Residue "Aa ARG 132": "NH1" <-> "NH2" Residue "Aa ARG 161": "NH1" <-> "NH2" Residue "Aa ARG 218": "NH1" <-> "NH2" Residue "Aa ARG 243": "NH1" <-> "NH2" Residue "Ab ARG 6": "NH1" <-> "NH2" Residue "Ab GLU 13": "OE1" <-> "OE2" Residue "Ab ARG 25": "NH1" <-> "NH2" Residue "Ab ARG 29": "NH1" <-> "NH2" Residue "Ab ARG 34": "NH1" <-> "NH2" Residue "Ab ARG 35": "NH1" <-> "NH2" Residue "Ab ARG 54": "NH1" <-> "NH2" Residue "Ab ARG 70": "NH1" <-> "NH2" Residue "Ab ARG 77": "NH1" <-> "NH2" Residue "Ab ARG 79": "NH1" <-> "NH2" Residue "Ab ARG 86": "NH1" <-> "NH2" Residue "Ab ARG 94": "NH1" <-> "NH2" Residue "Ab ARG 117": "NH1" <-> "NH2" Residue "Ab ARG 132": "NH1" <-> "NH2" Residue "Ab ARG 161": "NH1" <-> "NH2" Residue "Ab ARG 218": "NH1" <-> "NH2" Residue "Ab ARG 243": "NH1" <-> "NH2" Residue "Ac ARG 6": "NH1" <-> "NH2" Residue "Ac GLU 13": "OE1" <-> "OE2" Residue "Ac ARG 25": "NH1" <-> "NH2" Residue "Ac ARG 29": "NH1" <-> "NH2" Residue "Ac ARG 34": "NH1" <-> "NH2" Residue "Ac ARG 35": "NH1" <-> "NH2" Residue "Ac ARG 54": "NH1" <-> "NH2" Residue "Ac ARG 70": "NH1" <-> "NH2" Residue "Ac ARG 77": "NH1" <-> "NH2" Residue "Ac ARG 79": "NH1" <-> "NH2" Residue "Ac ARG 86": "NH1" <-> "NH2" Residue "Ac ARG 94": "NH1" <-> "NH2" Residue "Ac ARG 117": "NH1" <-> "NH2" Residue "Ac ARG 132": "NH1" <-> "NH2" Residue "Ac ARG 161": "NH1" <-> "NH2" Residue "Ac ARG 218": "NH1" <-> "NH2" Residue "Ac ARG 243": "NH1" <-> "NH2" Residue "Ad ARG 6": "NH1" <-> "NH2" Residue "Ad GLU 13": "OE1" <-> "OE2" Residue "Ad ARG 25": "NH1" <-> "NH2" Residue "Ad ARG 29": "NH1" <-> "NH2" Residue "Ad ARG 34": "NH1" <-> "NH2" Residue "Ad ARG 35": "NH1" <-> "NH2" Residue "Ad ARG 54": "NH1" <-> "NH2" Residue "Ad ARG 70": "NH1" <-> "NH2" Residue "Ad ARG 77": "NH1" <-> "NH2" Residue "Ad ARG 79": "NH1" <-> "NH2" Residue "Ad ARG 86": "NH1" <-> "NH2" Residue "Ad ARG 94": "NH1" <-> "NH2" Residue "Ad ARG 117": "NH1" <-> "NH2" Residue "Ad ARG 132": "NH1" <-> "NH2" Residue "Ad ARG 161": "NH1" <-> "NH2" Residue "Ad ARG 218": "NH1" <-> "NH2" Residue "Ad ARG 243": "NH1" <-> "NH2" Residue "Ae ARG 6": "NH1" <-> "NH2" Residue "Ae GLU 13": "OE1" <-> "OE2" Residue "Ae ARG 25": "NH1" <-> "NH2" Residue "Ae ARG 29": "NH1" <-> "NH2" Residue "Ae ARG 34": "NH1" <-> "NH2" Residue "Ae ARG 35": "NH1" <-> "NH2" Residue "Ae ARG 54": "NH1" <-> "NH2" Residue "Ae ARG 70": "NH1" <-> "NH2" Residue "Ae ARG 77": "NH1" <-> "NH2" Residue "Ae ARG 79": "NH1" <-> "NH2" Residue "Ae ARG 86": "NH1" <-> "NH2" Residue "Ae ARG 94": "NH1" <-> "NH2" Residue "Ae ARG 117": "NH1" <-> "NH2" Residue "Ae ARG 132": "NH1" <-> "NH2" Residue "Ae ARG 161": "NH1" <-> "NH2" Residue "Ae ARG 218": "NH1" <-> "NH2" Residue "Ae ARG 243": "NH1" <-> "NH2" Residue "Af ARG 6": "NH1" <-> "NH2" Residue "Af GLU 13": "OE1" <-> "OE2" Residue "Af ARG 25": "NH1" <-> "NH2" Residue "Af ARG 29": "NH1" <-> "NH2" Residue "Af ARG 34": "NH1" <-> "NH2" Residue "Af ARG 35": "NH1" <-> "NH2" Residue "Af ARG 54": "NH1" <-> "NH2" Residue "Af ARG 70": "NH1" <-> "NH2" Residue "Af ARG 77": "NH1" <-> "NH2" Residue "Af ARG 79": "NH1" <-> "NH2" Residue "Af ARG 86": "NH1" <-> "NH2" Residue "Af ARG 94": "NH1" <-> "NH2" Residue "Af ARG 117": "NH1" <-> "NH2" Residue "Af ARG 132": "NH1" <-> "NH2" Residue "Af ARG 161": "NH1" <-> "NH2" Residue "Af ARG 218": "NH1" <-> "NH2" Residue "Af ARG 243": "NH1" <-> "NH2" Residue "Ag ARG 6": "NH1" <-> "NH2" Residue "Ag GLU 13": "OE1" <-> "OE2" Residue "Ag ARG 25": "NH1" <-> "NH2" Residue "Ag ARG 29": "NH1" <-> "NH2" Residue "Ag ARG 34": "NH1" <-> "NH2" Residue "Ag ARG 35": "NH1" <-> "NH2" Residue "Ag ARG 54": "NH1" <-> "NH2" Residue "Ag ARG 70": "NH1" <-> "NH2" Residue "Ag ARG 77": "NH1" <-> "NH2" Residue "Ag ARG 79": "NH1" <-> "NH2" Residue "Ag ARG 86": "NH1" <-> "NH2" Residue "Ag ARG 94": "NH1" <-> "NH2" Residue "Ag ARG 117": "NH1" <-> "NH2" Residue "Ag ARG 132": "NH1" <-> "NH2" Residue "Ag ARG 161": "NH1" <-> "NH2" Residue "Ag ARG 218": "NH1" <-> "NH2" Residue "Ag ARG 243": "NH1" <-> "NH2" Residue "Ah ARG 6": "NH1" <-> "NH2" Residue "Ah GLU 13": "OE1" <-> "OE2" Residue "Ah ARG 25": "NH1" <-> "NH2" Residue "Ah ARG 29": "NH1" <-> "NH2" Residue "Ah ARG 34": "NH1" <-> "NH2" Residue "Ah ARG 35": "NH1" <-> "NH2" Residue "Ah ARG 54": "NH1" <-> "NH2" Residue "Ah ARG 70": "NH1" <-> "NH2" Residue "Ah ARG 77": "NH1" <-> "NH2" Residue "Ah ARG 79": "NH1" <-> "NH2" Residue "Ah ARG 86": "NH1" <-> "NH2" Residue "Ah ARG 94": "NH1" <-> "NH2" Residue "Ah ARG 117": "NH1" <-> "NH2" Residue "Ah ARG 132": "NH1" <-> "NH2" Residue "Ah ARG 161": "NH1" <-> "NH2" Residue "Ah ARG 218": "NH1" <-> "NH2" Residue "Ah ARG 243": "NH1" <-> "NH2" Residue "Ai ARG 6": "NH1" <-> "NH2" Residue "Ai GLU 13": "OE1" <-> "OE2" Residue "Ai ARG 25": "NH1" <-> "NH2" Residue "Ai ARG 29": "NH1" <-> "NH2" Residue "Ai ARG 34": "NH1" <-> "NH2" Residue "Ai ARG 35": "NH1" <-> "NH2" Residue "Ai ARG 54": "NH1" <-> "NH2" Residue "Ai ARG 70": "NH1" <-> "NH2" Residue "Ai ARG 77": "NH1" <-> "NH2" Residue "Ai ARG 79": "NH1" <-> "NH2" Residue "Ai ARG 86": "NH1" <-> "NH2" Residue "Ai ARG 94": "NH1" <-> "NH2" Residue "Ai ARG 117": "NH1" <-> "NH2" Residue "Ai ARG 132": "NH1" <-> "NH2" Residue "Ai ARG 161": "NH1" <-> "NH2" Residue "Ai ARG 218": "NH1" <-> "NH2" Residue "Ai ARG 243": "NH1" <-> "NH2" Residue "Aj ARG 6": "NH1" <-> "NH2" Residue "Aj GLU 13": "OE1" <-> "OE2" Residue "Aj ARG 25": "NH1" <-> "NH2" Residue "Aj ARG 29": "NH1" <-> "NH2" Residue "Aj ARG 34": "NH1" <-> "NH2" Residue "Aj ARG 35": "NH1" <-> "NH2" Residue "Aj ARG 54": "NH1" <-> "NH2" Residue "Aj ARG 70": "NH1" <-> "NH2" Residue "Aj ARG 77": "NH1" <-> "NH2" Residue "Aj ARG 79": "NH1" <-> "NH2" Residue "Aj ARG 86": "NH1" <-> "NH2" Residue "Aj ARG 94": "NH1" <-> "NH2" Residue "Aj ARG 117": "NH1" <-> "NH2" Residue "Aj ARG 132": "NH1" <-> "NH2" Residue "Aj ARG 161": "NH1" <-> "NH2" Residue "Aj ARG 218": "NH1" <-> "NH2" Residue "Aj ARG 243": "NH1" <-> "NH2" Residue "Ak ARG 6": "NH1" <-> "NH2" Residue "Ak GLU 13": "OE1" <-> "OE2" Residue "Ak ARG 25": "NH1" <-> "NH2" Residue "Ak ARG 29": "NH1" <-> "NH2" Residue "Ak ARG 34": "NH1" <-> "NH2" Residue "Ak ARG 35": "NH1" <-> "NH2" Residue "Ak ARG 54": "NH1" <-> "NH2" Residue "Ak ARG 70": "NH1" <-> "NH2" Residue "Ak ARG 77": "NH1" <-> "NH2" Residue "Ak ARG 79": "NH1" <-> "NH2" Residue "Ak ARG 86": "NH1" <-> "NH2" Residue "Ak ARG 94": "NH1" <-> "NH2" Residue "Ak ARG 117": "NH1" <-> "NH2" Residue "Ak ARG 132": "NH1" <-> "NH2" Residue "Ak ARG 161": "NH1" <-> "NH2" Residue "Ak ARG 218": "NH1" <-> "NH2" Residue "Ak ARG 243": "NH1" <-> "NH2" Residue "Al ARG 6": "NH1" <-> "NH2" Residue "Al GLU 13": "OE1" <-> "OE2" Residue "Al ARG 25": "NH1" <-> "NH2" Residue "Al ARG 29": "NH1" <-> "NH2" Residue "Al ARG 34": "NH1" <-> "NH2" Residue "Al ARG 35": "NH1" <-> "NH2" Residue "Al ARG 54": "NH1" <-> "NH2" Residue "Al ARG 70": "NH1" <-> "NH2" Residue "Al ARG 77": "NH1" <-> "NH2" Residue "Al ARG 79": "NH1" <-> "NH2" Residue "Al ARG 86": "NH1" <-> "NH2" Residue "Al ARG 94": "NH1" <-> "NH2" Residue "Al ARG 117": "NH1" <-> "NH2" Residue "Al ARG 132": "NH1" <-> "NH2" Residue "Al ARG 161": "NH1" <-> "NH2" Residue "Al ARG 218": "NH1" <-> "NH2" Residue "Al ARG 243": "NH1" <-> "NH2" Residue "Am ARG 6": "NH1" <-> "NH2" Residue "Am GLU 13": "OE1" <-> "OE2" Residue "Am ARG 25": "NH1" <-> "NH2" Residue "Am ARG 29": "NH1" <-> "NH2" Residue "Am ARG 34": "NH1" <-> "NH2" Residue "Am ARG 35": "NH1" <-> "NH2" Residue "Am ARG 54": "NH1" <-> "NH2" Residue "Am ARG 70": "NH1" <-> "NH2" Residue "Am ARG 77": "NH1" <-> "NH2" Residue "Am ARG 79": "NH1" <-> "NH2" Residue "Am ARG 86": "NH1" <-> "NH2" Residue "Am ARG 94": "NH1" <-> "NH2" Residue "Am ARG 117": "NH1" <-> "NH2" Residue "Am ARG 132": "NH1" <-> "NH2" Residue "Am ARG 161": "NH1" <-> "NH2" Residue "Am ARG 218": "NH1" <-> "NH2" Residue "Am ARG 243": "NH1" <-> "NH2" Residue "An ARG 6": "NH1" <-> "NH2" Residue "An GLU 13": "OE1" <-> "OE2" Residue "An ARG 25": "NH1" <-> "NH2" Residue "An ARG 29": "NH1" <-> "NH2" Residue "An ARG 34": "NH1" <-> "NH2" Residue "An ARG 35": "NH1" <-> "NH2" Residue "An ARG 54": "NH1" <-> "NH2" Residue "An ARG 70": "NH1" <-> "NH2" Residue "An ARG 77": "NH1" <-> "NH2" Residue "An ARG 79": "NH1" <-> "NH2" Residue "An ARG 86": "NH1" <-> "NH2" Residue "An ARG 94": "NH1" <-> "NH2" Residue "An ARG 117": "NH1" <-> "NH2" Residue "An ARG 132": "NH1" <-> "NH2" Residue "An ARG 161": "NH1" <-> "NH2" Residue "An ARG 218": "NH1" <-> "NH2" Residue "An ARG 243": "NH1" <-> "NH2" Residue "Ao ARG 6": "NH1" <-> "NH2" Residue "Ao GLU 13": "OE1" <-> "OE2" Residue "Ao ARG 25": "NH1" <-> "NH2" Residue "Ao ARG 29": "NH1" <-> "NH2" Residue "Ao ARG 34": "NH1" <-> "NH2" Residue "Ao ARG 35": "NH1" <-> "NH2" Residue "Ao ARG 54": "NH1" <-> "NH2" Residue "Ao ARG 70": "NH1" <-> "NH2" Residue "Ao ARG 77": "NH1" <-> "NH2" Residue "Ao ARG 79": "NH1" <-> "NH2" Residue "Ao ARG 86": "NH1" <-> "NH2" Residue "Ao ARG 94": "NH1" <-> "NH2" Residue "Ao ARG 117": "NH1" <-> "NH2" Residue "Ao ARG 132": "NH1" <-> "NH2" Residue "Ao ARG 161": "NH1" <-> "NH2" Residue "Ao ARG 218": "NH1" <-> "NH2" Residue "Ao ARG 243": "NH1" <-> "NH2" Residue "Ap ARG 6": "NH1" <-> "NH2" Residue "Ap GLU 13": "OE1" <-> "OE2" Residue "Ap ARG 25": "NH1" <-> "NH2" Residue "Ap ARG 29": "NH1" <-> "NH2" Residue "Ap ARG 34": "NH1" <-> "NH2" Residue "Ap ARG 35": "NH1" <-> "NH2" Residue "Ap ARG 54": "NH1" <-> "NH2" Residue "Ap ARG 70": "NH1" <-> "NH2" Residue "Ap ARG 77": "NH1" <-> "NH2" Residue "Ap ARG 79": "NH1" <-> "NH2" Residue "Ap ARG 86": "NH1" <-> "NH2" Residue "Ap ARG 94": "NH1" <-> "NH2" Residue "Ap ARG 117": "NH1" <-> "NH2" Residue "Ap ARG 132": "NH1" <-> "NH2" Residue "Ap ARG 161": "NH1" <-> "NH2" Residue "Ap ARG 218": "NH1" <-> "NH2" Residue "Ap ARG 243": "NH1" <-> "NH2" Residue "Aq ARG 6": "NH1" <-> "NH2" Residue "Aq GLU 13": "OE1" <-> "OE2" Residue "Aq ARG 25": "NH1" <-> "NH2" Residue "Aq ARG 29": "NH1" <-> "NH2" Residue "Aq ARG 34": "NH1" <-> "NH2" Residue "Aq ARG 35": "NH1" <-> "NH2" Residue "Aq ARG 54": "NH1" <-> "NH2" Residue "Aq ARG 70": "NH1" <-> "NH2" Residue "Aq ARG 77": "NH1" <-> "NH2" Residue "Aq ARG 79": "NH1" <-> "NH2" Residue "Aq ARG 86": "NH1" <-> "NH2" Residue "Aq ARG 94": "NH1" <-> "NH2" Residue "Aq ARG 117": "NH1" <-> "NH2" Residue "Aq ARG 132": "NH1" <-> "NH2" Residue "Aq ARG 161": "NH1" <-> "NH2" Residue "Aq ARG 218": "NH1" <-> "NH2" Residue "Aq ARG 243": "NH1" <-> "NH2" Residue "Ar ARG 6": "NH1" <-> "NH2" Residue "Ar GLU 13": "OE1" <-> "OE2" Residue "Ar ARG 25": "NH1" <-> "NH2" Residue "Ar ARG 29": "NH1" <-> "NH2" Residue "Ar ARG 34": "NH1" <-> "NH2" Residue "Ar ARG 35": "NH1" <-> "NH2" Residue "Ar ARG 54": "NH1" <-> "NH2" Residue "Ar ARG 70": "NH1" <-> "NH2" Residue "Ar ARG 77": "NH1" <-> "NH2" Residue "Ar ARG 79": "NH1" <-> "NH2" Residue "Ar ARG 86": "NH1" <-> "NH2" Residue "Ar ARG 94": "NH1" <-> "NH2" Residue "Ar ARG 117": "NH1" <-> "NH2" Residue "Ar ARG 132": "NH1" <-> "NH2" Residue "Ar ARG 161": "NH1" <-> "NH2" Residue "Ar ARG 218": "NH1" <-> "NH2" Residue "Ar ARG 243": "NH1" <-> "NH2" Residue "As ARG 6": "NH1" <-> "NH2" Residue "As GLU 13": "OE1" <-> "OE2" Residue "As ARG 25": "NH1" <-> "NH2" Residue "As ARG 29": "NH1" <-> "NH2" Residue "As ARG 34": "NH1" <-> "NH2" Residue "As ARG 35": "NH1" <-> "NH2" Residue "As ARG 54": "NH1" <-> "NH2" Residue "As ARG 70": "NH1" <-> "NH2" Residue "As ARG 77": "NH1" <-> "NH2" Residue "As ARG 79": "NH1" <-> "NH2" Residue "As ARG 86": "NH1" <-> "NH2" Residue "As ARG 94": "NH1" <-> "NH2" Residue "As ARG 117": "NH1" <-> "NH2" Residue "As ARG 132": "NH1" <-> "NH2" Residue "As ARG 161": "NH1" <-> "NH2" Residue "As ARG 218": "NH1" <-> "NH2" Residue "As ARG 243": "NH1" <-> "NH2" Residue "At ARG 6": "NH1" <-> "NH2" Residue "At GLU 13": "OE1" <-> "OE2" Residue "At ARG 25": "NH1" <-> "NH2" Residue "At ARG 29": "NH1" <-> "NH2" Residue "At ARG 34": "NH1" <-> "NH2" Residue "At ARG 35": "NH1" <-> "NH2" Residue "At ARG 54": "NH1" <-> "NH2" Residue "At ARG 70": "NH1" <-> "NH2" Residue "At ARG 77": "NH1" <-> "NH2" Residue "At ARG 79": "NH1" <-> "NH2" Residue "At ARG 86": "NH1" <-> "NH2" Residue "At ARG 94": "NH1" <-> "NH2" Residue "At ARG 117": "NH1" <-> "NH2" Residue "At ARG 132": "NH1" <-> "NH2" Residue "At ARG 161": "NH1" <-> "NH2" Residue "At ARG 218": "NH1" <-> "NH2" Residue "At ARG 243": "NH1" <-> "NH2" Residue "Au ARG 6": "NH1" <-> "NH2" Residue "Au GLU 13": "OE1" <-> "OE2" Residue "Au ARG 25": "NH1" <-> "NH2" Residue "Au ARG 29": "NH1" <-> "NH2" Residue "Au ARG 34": "NH1" <-> "NH2" Residue "Au ARG 35": "NH1" <-> "NH2" Residue "Au ARG 54": "NH1" <-> "NH2" Residue "Au ARG 70": "NH1" <-> "NH2" Residue "Au ARG 77": "NH1" <-> "NH2" Residue "Au ARG 79": "NH1" <-> "NH2" Residue "Au ARG 86": "NH1" <-> "NH2" Residue "Au ARG 94": "NH1" <-> "NH2" Residue "Au ARG 117": "NH1" <-> "NH2" Residue "Au ARG 132": "NH1" <-> "NH2" Residue "Au ARG 161": "NH1" <-> "NH2" Residue "Au ARG 218": "NH1" <-> "NH2" Residue "Au ARG 243": "NH1" <-> "NH2" Residue "Av ARG 6": "NH1" <-> "NH2" Residue "Av GLU 13": "OE1" <-> "OE2" Residue "Av ARG 25": "NH1" <-> "NH2" Residue "Av ARG 29": "NH1" <-> "NH2" Residue "Av ARG 34": "NH1" <-> "NH2" Residue "Av ARG 35": "NH1" <-> "NH2" Residue "Av ARG 54": "NH1" <-> "NH2" Residue "Av ARG 70": "NH1" <-> "NH2" Residue "Av ARG 77": "NH1" <-> "NH2" Residue "Av ARG 79": "NH1" <-> "NH2" Residue "Av ARG 86": "NH1" <-> "NH2" Residue "Av ARG 94": "NH1" <-> "NH2" Residue "Av ARG 117": "NH1" <-> "NH2" Residue "Av ARG 132": "NH1" <-> "NH2" Residue "Av ARG 161": "NH1" <-> "NH2" Residue "Av ARG 218": "NH1" <-> "NH2" Residue "Av ARG 243": "NH1" <-> "NH2" Residue "Aw ARG 6": "NH1" <-> "NH2" Residue "Aw GLU 13": "OE1" <-> "OE2" Residue "Aw ARG 25": "NH1" <-> "NH2" Residue "Aw ARG 29": "NH1" <-> "NH2" Residue "Aw ARG 34": "NH1" <-> "NH2" Residue "Aw ARG 35": "NH1" <-> "NH2" Residue "Aw ARG 54": "NH1" <-> "NH2" Residue "Aw ARG 70": "NH1" <-> "NH2" Residue "Aw ARG 77": "NH1" <-> "NH2" Residue "Aw ARG 79": "NH1" <-> "NH2" Residue "Aw ARG 86": "NH1" <-> "NH2" Residue "Aw ARG 94": "NH1" <-> "NH2" Residue "Aw ARG 117": "NH1" <-> "NH2" Residue "Aw ARG 132": "NH1" <-> "NH2" Residue "Aw ARG 161": "NH1" <-> "NH2" Residue "Aw ARG 218": "NH1" <-> "NH2" Residue "Aw ARG 243": "NH1" <-> "NH2" Residue "Ax ARG 6": "NH1" <-> "NH2" Residue "Ax GLU 13": "OE1" <-> "OE2" Residue "Ax ARG 25": "NH1" <-> "NH2" Residue "Ax ARG 29": "NH1" <-> "NH2" Residue "Ax ARG 34": "NH1" <-> "NH2" Residue "Ax ARG 35": "NH1" <-> "NH2" Residue "Ax ARG 54": "NH1" <-> "NH2" Residue "Ax ARG 70": "NH1" <-> "NH2" Residue "Ax ARG 77": "NH1" <-> "NH2" Residue "Ax ARG 79": "NH1" <-> "NH2" Residue "Ax ARG 86": "NH1" <-> "NH2" Residue "Ax ARG 94": "NH1" <-> "NH2" Residue "Ax ARG 117": "NH1" <-> "NH2" Residue "Ax ARG 132": "NH1" <-> "NH2" Residue "Ax ARG 161": "NH1" <-> "NH2" Residue "Ax ARG 218": "NH1" <-> "NH2" Residue "Ax ARG 243": "NH1" <-> "NH2" Residue "Ay ARG 6": "NH1" <-> "NH2" Residue "Ay GLU 13": "OE1" <-> "OE2" Residue "Ay ARG 25": "NH1" <-> "NH2" Residue "Ay ARG 29": "NH1" <-> "NH2" Residue "Ay ARG 34": "NH1" <-> "NH2" Residue "Ay ARG 35": "NH1" <-> "NH2" Residue "Ay ARG 54": "NH1" <-> "NH2" Residue "Ay ARG 70": "NH1" <-> "NH2" Residue "Ay ARG 77": "NH1" <-> "NH2" Residue "Ay ARG 79": "NH1" <-> "NH2" Residue "Ay ARG 86": "NH1" <-> "NH2" Residue "Ay ARG 94": "NH1" <-> "NH2" Residue "Ay ARG 117": "NH1" <-> "NH2" Residue "Ay ARG 132": "NH1" <-> "NH2" Residue "Ay ARG 161": "NH1" <-> "NH2" Residue "Ay ARG 218": "NH1" <-> "NH2" Residue "Ay ARG 243": "NH1" <-> "NH2" Time to flip residues: 0.32s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 122040 Number of models: 1 Model: "" Number of chains: 60 Chain: "A1" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "A2" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "A3" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "A4" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "A5" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "A6" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "A7" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "A8" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "A9" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AA" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AB" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AC" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AD" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AE" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AF" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AG" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AH" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AI" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AJ" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AK" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AL" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AM" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AN" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AO" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AP" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AQ" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AR" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AS" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AT" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AU" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AV" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AW" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AX" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AY" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "AZ" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Aa" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ab" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ac" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ad" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ae" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Af" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ag" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ah" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ai" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Aj" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ak" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Al" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Am" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "An" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ao" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ap" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Aq" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ar" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "As" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "At" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Au" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Av" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Aw" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ax" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Chain: "Ay" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PCIS': 1, 'PTRANS': 13, 'TRANS': 250} Time building chain proxies: 46.52, per 1000 atoms: 0.38 Number of scatterers: 122040 At special positions: 0 Unit cell: (246.82, 246.82, 246.82, 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 120 16.00 O 24000 8.00 N 21240 7.00 C 76680 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: 33.18 Conformation dependent library (CDL) restraints added in 15.6 seconds 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 29760 Finding SS restraints... Secondary structure from input PDB file: 660 helices and 180 sheets defined 41.1% alpha, 27.5% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 10.09 Creating SS restraints... Processing helix chain 'A1' and resid 5 through 9 Processing helix chain 'A1' and resid 12 through 31 Processing helix chain 'A1' and resid 32 through 36 Processing helix chain 'A1' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALA1 92 " --> pdb=" O GLUA1 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUA1 93 " --> pdb=" O ILEA1 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGA1 94 " --> pdb=" O ASPA1 90 " (cutoff:3.500A) Processing helix chain 'A1' and resid 101 through 122 Processing helix chain 'A1' and resid 123 through 127 Processing helix chain 'A1' and resid 130 through 135 Processing helix chain 'A1' and resid 145 through 147 No H-bonds generated for 'chain 'A1' and resid 145 through 147' Processing helix chain 'A1' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALA1 152 " --> pdb=" O GLUA1 148 " (cutoff:3.500A) Processing helix chain 'A1' and resid 175 through 183 Processing helix chain 'A1' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUA1 195 " --> pdb=" O ILEA1 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGA1 197 " --> pdb=" O GLUA1 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALA1 199 " --> pdb=" O LEUA1 195 " (cutoff:3.500A) Processing helix chain 'A2' and resid 5 through 9 Processing helix chain 'A2' and resid 12 through 31 Processing helix chain 'A2' and resid 32 through 36 Processing helix chain 'A2' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALA2 92 " --> pdb=" O GLUA2 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUA2 93 " --> pdb=" O ILEA2 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGA2 94 " --> pdb=" O ASPA2 90 " (cutoff:3.500A) Processing helix chain 'A2' and resid 101 through 122 Processing helix chain 'A2' and resid 123 through 127 Processing helix chain 'A2' and resid 130 through 135 Processing helix chain 'A2' and resid 145 through 147 No H-bonds generated for 'chain 'A2' and resid 145 through 147' Processing helix chain 'A2' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALA2 152 " --> pdb=" O GLUA2 148 " (cutoff:3.500A) Processing helix chain 'A2' and resid 175 through 183 Processing helix chain 'A2' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUA2 195 " --> pdb=" O ILEA2 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGA2 197 " --> pdb=" O GLUA2 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALA2 199 " --> pdb=" O LEUA2 195 " (cutoff:3.500A) Processing helix chain 'A3' and resid 5 through 9 Processing helix chain 'A3' and resid 12 through 31 Processing helix chain 'A3' and resid 32 through 36 Processing helix chain 'A3' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALA3 92 " --> pdb=" O GLUA3 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUA3 93 " --> pdb=" O ILEA3 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGA3 94 " --> pdb=" O ASPA3 90 " (cutoff:3.500A) Processing helix chain 'A3' and resid 101 through 122 Processing helix chain 'A3' and resid 123 through 127 Processing helix chain 'A3' and resid 130 through 135 Processing helix chain 'A3' and resid 145 through 147 No H-bonds generated for 'chain 'A3' and resid 145 through 147' Processing helix chain 'A3' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALA3 152 " --> pdb=" O GLUA3 148 " (cutoff:3.500A) Processing helix chain 'A3' and resid 175 through 183 Processing helix chain 'A3' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUA3 195 " --> pdb=" O ILEA3 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGA3 197 " --> pdb=" O GLUA3 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALA3 199 " --> pdb=" O LEUA3 195 " (cutoff:3.500A) Processing helix chain 'A4' and resid 5 through 9 Processing helix chain 'A4' and resid 12 through 31 Processing helix chain 'A4' and resid 32 through 36 Processing helix chain 'A4' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALA4 92 " --> pdb=" O GLUA4 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUA4 93 " --> pdb=" O ILEA4 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGA4 94 " --> pdb=" O ASPA4 90 " (cutoff:3.500A) Processing helix chain 'A4' and resid 101 through 122 Processing helix chain 'A4' and resid 123 through 127 Processing helix chain 'A4' and resid 130 through 135 Processing helix chain 'A4' and resid 145 through 147 No H-bonds generated for 'chain 'A4' and resid 145 through 147' Processing helix chain 'A4' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALA4 152 " --> pdb=" O GLUA4 148 " (cutoff:3.500A) Processing helix chain 'A4' and resid 175 through 183 Processing helix chain 'A4' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUA4 195 " --> pdb=" O ILEA4 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGA4 197 " --> pdb=" O GLUA4 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALA4 199 " --> pdb=" O LEUA4 195 " (cutoff:3.500A) Processing helix chain 'A5' and resid 5 through 9 Processing helix chain 'A5' and resid 12 through 31 Processing helix chain 'A5' and resid 32 through 36 Processing helix chain 'A5' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALA5 92 " --> pdb=" O GLUA5 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUA5 93 " --> pdb=" O ILEA5 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGA5 94 " --> pdb=" O ASPA5 90 " (cutoff:3.500A) Processing helix chain 'A5' and resid 101 through 122 Processing helix chain 'A5' and resid 123 through 127 Processing helix chain 'A5' and resid 130 through 135 Processing helix chain 'A5' and resid 145 through 147 No H-bonds generated for 'chain 'A5' and resid 145 through 147' Processing helix chain 'A5' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALA5 152 " --> pdb=" O GLUA5 148 " (cutoff:3.500A) Processing helix chain 'A5' and resid 175 through 183 Processing helix chain 'A5' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUA5 195 " --> pdb=" O ILEA5 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGA5 197 " --> pdb=" O GLUA5 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALA5 199 " --> pdb=" O LEUA5 195 " (cutoff:3.500A) Processing helix chain 'A6' and resid 5 through 9 Processing helix chain 'A6' and resid 12 through 31 Processing helix chain 'A6' and resid 32 through 36 Processing helix chain 'A6' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALA6 92 " --> pdb=" O GLUA6 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUA6 93 " --> pdb=" O ILEA6 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGA6 94 " --> pdb=" O ASPA6 90 " (cutoff:3.500A) Processing helix chain 'A6' and resid 101 through 122 Processing helix chain 'A6' and resid 123 through 127 Processing helix chain 'A6' and resid 130 through 135 Processing helix chain 'A6' and resid 145 through 147 No H-bonds generated for 'chain 'A6' and resid 145 through 147' Processing helix chain 'A6' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALA6 152 " --> pdb=" O GLUA6 148 " (cutoff:3.500A) Processing helix chain 'A6' and resid 175 through 183 Processing helix chain 'A6' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUA6 195 " --> pdb=" O ILEA6 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGA6 197 " --> pdb=" O GLUA6 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALA6 199 " --> pdb=" O LEUA6 195 " (cutoff:3.500A) Processing helix chain 'A7' and resid 5 through 9 Processing helix chain 'A7' and resid 12 through 31 Processing helix chain 'A7' and resid 32 through 36 Processing helix chain 'A7' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALA7 92 " --> pdb=" O GLUA7 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUA7 93 " --> pdb=" O ILEA7 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGA7 94 " --> pdb=" O ASPA7 90 " (cutoff:3.500A) Processing helix chain 'A7' and resid 101 through 122 Processing helix chain 'A7' and resid 123 through 127 Processing helix chain 'A7' and resid 130 through 135 Processing helix chain 'A7' and resid 145 through 147 No H-bonds generated for 'chain 'A7' and resid 145 through 147' Processing helix chain 'A7' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALA7 152 " --> pdb=" O GLUA7 148 " (cutoff:3.500A) Processing helix chain 'A7' and resid 175 through 183 Processing helix chain 'A7' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUA7 195 " --> pdb=" O ILEA7 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGA7 197 " --> pdb=" O GLUA7 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALA7 199 " --> pdb=" O LEUA7 195 " (cutoff:3.500A) Processing helix chain 'A8' and resid 5 through 9 Processing helix chain 'A8' and resid 12 through 31 Processing helix chain 'A8' and resid 32 through 36 Processing helix chain 'A8' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALA8 92 " --> pdb=" O GLUA8 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUA8 93 " --> pdb=" O ILEA8 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGA8 94 " --> pdb=" O ASPA8 90 " (cutoff:3.500A) Processing helix chain 'A8' and resid 101 through 122 Processing helix chain 'A8' and resid 123 through 127 Processing helix chain 'A8' and resid 130 through 135 Processing helix chain 'A8' and resid 145 through 147 No H-bonds generated for 'chain 'A8' and resid 145 through 147' Processing helix chain 'A8' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALA8 152 " --> pdb=" O GLUA8 148 " (cutoff:3.500A) Processing helix chain 'A8' and resid 175 through 183 Processing helix chain 'A8' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUA8 195 " --> pdb=" O ILEA8 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGA8 197 " --> pdb=" O GLUA8 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALA8 199 " --> pdb=" O LEUA8 195 " (cutoff:3.500A) Processing helix chain 'A9' and resid 5 through 9 Processing helix chain 'A9' and resid 12 through 31 Processing helix chain 'A9' and resid 32 through 36 Processing helix chain 'A9' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALA9 92 " --> pdb=" O GLUA9 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUA9 93 " --> pdb=" O ILEA9 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGA9 94 " --> pdb=" O ASPA9 90 " (cutoff:3.500A) Processing helix chain 'A9' and resid 101 through 122 Processing helix chain 'A9' and resid 123 through 127 Processing helix chain 'A9' and resid 130 through 135 Processing helix chain 'A9' and resid 145 through 147 No H-bonds generated for 'chain 'A9' and resid 145 through 147' Processing helix chain 'A9' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALA9 152 " --> pdb=" O GLUA9 148 " (cutoff:3.500A) Processing helix chain 'A9' and resid 175 through 183 Processing helix chain 'A9' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUA9 195 " --> pdb=" O ILEA9 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGA9 197 " --> pdb=" O GLUA9 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALA9 199 " --> pdb=" O LEUA9 195 " (cutoff:3.500A) Processing helix chain 'AA' and resid 5 through 9 Processing helix chain 'AA' and resid 12 through 31 Processing helix chain 'AA' and resid 32 through 36 Processing helix chain 'AA' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAA 92 " --> pdb=" O GLUAA 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAA 93 " --> pdb=" O ILEAA 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAA 94 " --> pdb=" O ASPAA 90 " (cutoff:3.500A) Processing helix chain 'AA' and resid 101 through 122 Processing helix chain 'AA' and resid 123 through 127 Processing helix chain 'AA' and resid 130 through 135 Processing helix chain 'AA' and resid 145 through 147 No H-bonds generated for 'chain 'AA' and resid 145 through 147' Processing helix chain 'AA' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAA 152 " --> pdb=" O GLUAA 148 " (cutoff:3.500A) Processing helix chain 'AA' and resid 175 through 183 Processing helix chain 'AA' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAA 195 " --> pdb=" O ILEAA 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAA 197 " --> pdb=" O GLUAA 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAA 199 " --> pdb=" O LEUAA 195 " (cutoff:3.500A) Processing helix chain 'AB' and resid 5 through 9 Processing helix chain 'AB' and resid 12 through 31 Processing helix chain 'AB' and resid 32 through 36 Processing helix chain 'AB' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAB 92 " --> pdb=" O GLUAB 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAB 93 " --> pdb=" O ILEAB 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAB 94 " --> pdb=" O ASPAB 90 " (cutoff:3.500A) Processing helix chain 'AB' and resid 101 through 122 Processing helix chain 'AB' and resid 123 through 127 Processing helix chain 'AB' and resid 130 through 135 Processing helix chain 'AB' and resid 145 through 147 No H-bonds generated for 'chain 'AB' and resid 145 through 147' Processing helix chain 'AB' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAB 152 " --> pdb=" O GLUAB 148 " (cutoff:3.500A) Processing helix chain 'AB' and resid 175 through 183 Processing helix chain 'AB' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAB 195 " --> pdb=" O ILEAB 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAB 197 " --> pdb=" O GLUAB 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAB 199 " --> pdb=" O LEUAB 195 " (cutoff:3.500A) Processing helix chain 'AC' and resid 5 through 9 Processing helix chain 'AC' and resid 12 through 31 Processing helix chain 'AC' and resid 32 through 36 Processing helix chain 'AC' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAC 92 " --> pdb=" O GLUAC 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAC 93 " --> pdb=" O ILEAC 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAC 94 " --> pdb=" O ASPAC 90 " (cutoff:3.500A) Processing helix chain 'AC' and resid 101 through 122 Processing helix chain 'AC' and resid 123 through 127 Processing helix chain 'AC' and resid 130 through 135 Processing helix chain 'AC' and resid 145 through 147 No H-bonds generated for 'chain 'AC' and resid 145 through 147' Processing helix chain 'AC' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAC 152 " --> pdb=" O GLUAC 148 " (cutoff:3.500A) Processing helix chain 'AC' and resid 175 through 183 Processing helix chain 'AC' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAC 195 " --> pdb=" O ILEAC 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAC 197 " --> pdb=" O GLUAC 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAC 199 " --> pdb=" O LEUAC 195 " (cutoff:3.500A) Processing helix chain 'AD' and resid 5 through 9 Processing helix chain 'AD' and resid 12 through 31 Processing helix chain 'AD' and resid 32 through 36 Processing helix chain 'AD' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAD 92 " --> pdb=" O GLUAD 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAD 93 " --> pdb=" O ILEAD 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAD 94 " --> pdb=" O ASPAD 90 " (cutoff:3.500A) Processing helix chain 'AD' and resid 101 through 122 Processing helix chain 'AD' and resid 123 through 127 Processing helix chain 'AD' and resid 130 through 135 Processing helix chain 'AD' and resid 145 through 147 No H-bonds generated for 'chain 'AD' and resid 145 through 147' Processing helix chain 'AD' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAD 152 " --> pdb=" O GLUAD 148 " (cutoff:3.500A) Processing helix chain 'AD' and resid 175 through 183 Processing helix chain 'AD' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUAD 195 " --> pdb=" O ILEAD 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAD 197 " --> pdb=" O GLUAD 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAD 199 " --> pdb=" O LEUAD 195 " (cutoff:3.500A) Processing helix chain 'AE' and resid 5 through 9 Processing helix chain 'AE' and resid 12 through 31 Processing helix chain 'AE' and resid 32 through 36 Processing helix chain 'AE' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAE 92 " --> pdb=" O GLUAE 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAE 93 " --> pdb=" O ILEAE 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAE 94 " --> pdb=" O ASPAE 90 " (cutoff:3.500A) Processing helix chain 'AE' and resid 101 through 122 Processing helix chain 'AE' and resid 123 through 127 Processing helix chain 'AE' and resid 130 through 135 Processing helix chain 'AE' and resid 145 through 147 No H-bonds generated for 'chain 'AE' and resid 145 through 147' Processing helix chain 'AE' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAE 152 " --> pdb=" O GLUAE 148 " (cutoff:3.500A) Processing helix chain 'AE' and resid 175 through 183 Processing helix chain 'AE' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAE 195 " --> pdb=" O ILEAE 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAE 197 " --> pdb=" O GLUAE 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAE 199 " --> pdb=" O LEUAE 195 " (cutoff:3.500A) Processing helix chain 'AF' and resid 5 through 9 Processing helix chain 'AF' and resid 12 through 31 Processing helix chain 'AF' and resid 32 through 36 Processing helix chain 'AF' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAF 92 " --> pdb=" O GLUAF 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAF 93 " --> pdb=" O ILEAF 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAF 94 " --> pdb=" O ASPAF 90 " (cutoff:3.500A) Processing helix chain 'AF' and resid 101 through 122 Processing helix chain 'AF' and resid 123 through 127 Processing helix chain 'AF' and resid 130 through 135 Processing helix chain 'AF' and resid 145 through 147 No H-bonds generated for 'chain 'AF' and resid 145 through 147' Processing helix chain 'AF' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAF 152 " --> pdb=" O GLUAF 148 " (cutoff:3.500A) Processing helix chain 'AF' and resid 175 through 183 Processing helix chain 'AF' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUAF 195 " --> pdb=" O ILEAF 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAF 197 " --> pdb=" O GLUAF 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAF 199 " --> pdb=" O LEUAF 195 " (cutoff:3.500A) Processing helix chain 'AG' and resid 5 through 9 Processing helix chain 'AG' and resid 12 through 31 Processing helix chain 'AG' and resid 32 through 36 Processing helix chain 'AG' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAG 92 " --> pdb=" O GLUAG 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAG 93 " --> pdb=" O ILEAG 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAG 94 " --> pdb=" O ASPAG 90 " (cutoff:3.500A) Processing helix chain 'AG' and resid 101 through 122 Processing helix chain 'AG' and resid 123 through 127 Processing helix chain 'AG' and resid 130 through 135 Processing helix chain 'AG' and resid 145 through 147 No H-bonds generated for 'chain 'AG' and resid 145 through 147' Processing helix chain 'AG' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAG 152 " --> pdb=" O GLUAG 148 " (cutoff:3.500A) Processing helix chain 'AG' and resid 175 through 183 Processing helix chain 'AG' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUAG 195 " --> pdb=" O ILEAG 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAG 197 " --> pdb=" O GLUAG 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAG 199 " --> pdb=" O LEUAG 195 " (cutoff:3.500A) Processing helix chain 'AH' and resid 5 through 9 Processing helix chain 'AH' and resid 12 through 31 Processing helix chain 'AH' and resid 32 through 36 Processing helix chain 'AH' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAH 92 " --> pdb=" O GLUAH 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAH 93 " --> pdb=" O ILEAH 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAH 94 " --> pdb=" O ASPAH 90 " (cutoff:3.500A) Processing helix chain 'AH' and resid 101 through 122 Processing helix chain 'AH' and resid 123 through 127 Processing helix chain 'AH' and resid 130 through 135 Processing helix chain 'AH' and resid 145 through 147 No H-bonds generated for 'chain 'AH' and resid 145 through 147' Processing helix chain 'AH' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAH 152 " --> pdb=" O GLUAH 148 " (cutoff:3.500A) Processing helix chain 'AH' and resid 175 through 183 Processing helix chain 'AH' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAH 195 " --> pdb=" O ILEAH 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAH 197 " --> pdb=" O GLUAH 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAH 199 " --> pdb=" O LEUAH 195 " (cutoff:3.500A) Processing helix chain 'AI' and resid 5 through 9 Processing helix chain 'AI' and resid 12 through 31 Processing helix chain 'AI' and resid 32 through 36 Processing helix chain 'AI' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAI 92 " --> pdb=" O GLUAI 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAI 93 " --> pdb=" O ILEAI 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAI 94 " --> pdb=" O ASPAI 90 " (cutoff:3.500A) Processing helix chain 'AI' and resid 101 through 122 Processing helix chain 'AI' and resid 123 through 127 Processing helix chain 'AI' and resid 130 through 135 Processing helix chain 'AI' and resid 145 through 147 No H-bonds generated for 'chain 'AI' and resid 145 through 147' Processing helix chain 'AI' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAI 152 " --> pdb=" O GLUAI 148 " (cutoff:3.500A) Processing helix chain 'AI' and resid 175 through 183 Processing helix chain 'AI' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAI 195 " --> pdb=" O ILEAI 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAI 197 " --> pdb=" O GLUAI 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAI 199 " --> pdb=" O LEUAI 195 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 5 through 9 Processing helix chain 'AJ' and resid 12 through 31 Processing helix chain 'AJ' and resid 32 through 36 Processing helix chain 'AJ' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAJ 92 " --> pdb=" O GLUAJ 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAJ 93 " --> pdb=" O ILEAJ 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAJ 94 " --> pdb=" O ASPAJ 90 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 101 through 122 Processing helix chain 'AJ' and resid 123 through 127 Processing helix chain 'AJ' and resid 130 through 135 Processing helix chain 'AJ' and resid 145 through 147 No H-bonds generated for 'chain 'AJ' and resid 145 through 147' Processing helix chain 'AJ' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAJ 152 " --> pdb=" O GLUAJ 148 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 175 through 183 Processing helix chain 'AJ' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAJ 195 " --> pdb=" O ILEAJ 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAJ 197 " --> pdb=" O GLUAJ 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAJ 199 " --> pdb=" O LEUAJ 195 " (cutoff:3.500A) Processing helix chain 'AK' and resid 5 through 9 Processing helix chain 'AK' and resid 12 through 31 Processing helix chain 'AK' and resid 32 through 36 Processing helix chain 'AK' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAK 92 " --> pdb=" O GLUAK 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAK 93 " --> pdb=" O ILEAK 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAK 94 " --> pdb=" O ASPAK 90 " (cutoff:3.500A) Processing helix chain 'AK' and resid 101 through 122 Processing helix chain 'AK' and resid 123 through 127 Processing helix chain 'AK' and resid 130 through 135 Processing helix chain 'AK' and resid 145 through 147 No H-bonds generated for 'chain 'AK' and resid 145 through 147' Processing helix chain 'AK' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAK 152 " --> pdb=" O GLUAK 148 " (cutoff:3.500A) Processing helix chain 'AK' and resid 175 through 183 Processing helix chain 'AK' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAK 195 " --> pdb=" O ILEAK 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAK 197 " --> pdb=" O GLUAK 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAK 199 " --> pdb=" O LEUAK 195 " (cutoff:3.500A) Processing helix chain 'AL' and resid 5 through 9 Processing helix chain 'AL' and resid 12 through 31 Processing helix chain 'AL' and resid 32 through 36 Processing helix chain 'AL' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAL 92 " --> pdb=" O GLUAL 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAL 93 " --> pdb=" O ILEAL 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAL 94 " --> pdb=" O ASPAL 90 " (cutoff:3.500A) Processing helix chain 'AL' and resid 101 through 122 Processing helix chain 'AL' and resid 123 through 127 Processing helix chain 'AL' and resid 130 through 135 Processing helix chain 'AL' and resid 145 through 147 No H-bonds generated for 'chain 'AL' and resid 145 through 147' Processing helix chain 'AL' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAL 152 " --> pdb=" O GLUAL 148 " (cutoff:3.500A) Processing helix chain 'AL' and resid 175 through 183 Processing helix chain 'AL' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUAL 195 " --> pdb=" O ILEAL 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAL 197 " --> pdb=" O GLUAL 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAL 199 " --> pdb=" O LEUAL 195 " (cutoff:3.500A) Processing helix chain 'AM' and resid 5 through 9 Processing helix chain 'AM' and resid 12 through 31 Processing helix chain 'AM' and resid 32 through 36 Processing helix chain 'AM' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAM 92 " --> pdb=" O GLUAM 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAM 93 " --> pdb=" O ILEAM 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAM 94 " --> pdb=" O ASPAM 90 " (cutoff:3.500A) Processing helix chain 'AM' and resid 101 through 122 Processing helix chain 'AM' and resid 123 through 127 Processing helix chain 'AM' and resid 130 through 135 Processing helix chain 'AM' and resid 145 through 147 No H-bonds generated for 'chain 'AM' and resid 145 through 147' Processing helix chain 'AM' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAM 152 " --> pdb=" O GLUAM 148 " (cutoff:3.500A) Processing helix chain 'AM' and resid 175 through 183 Processing helix chain 'AM' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAM 195 " --> pdb=" O ILEAM 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAM 197 " --> pdb=" O GLUAM 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAM 199 " --> pdb=" O LEUAM 195 " (cutoff:3.500A) Processing helix chain 'AN' and resid 5 through 9 Processing helix chain 'AN' and resid 12 through 31 Processing helix chain 'AN' and resid 32 through 36 Processing helix chain 'AN' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAN 92 " --> pdb=" O GLUAN 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAN 93 " --> pdb=" O ILEAN 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAN 94 " --> pdb=" O ASPAN 90 " (cutoff:3.500A) Processing helix chain 'AN' and resid 101 through 122 Processing helix chain 'AN' and resid 123 through 127 Processing helix chain 'AN' and resid 130 through 135 Processing helix chain 'AN' and resid 145 through 147 No H-bonds generated for 'chain 'AN' and resid 145 through 147' Processing helix chain 'AN' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAN 152 " --> pdb=" O GLUAN 148 " (cutoff:3.500A) Processing helix chain 'AN' and resid 175 through 183 Processing helix chain 'AN' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAN 195 " --> pdb=" O ILEAN 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAN 197 " --> pdb=" O GLUAN 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAN 199 " --> pdb=" O LEUAN 195 " (cutoff:3.500A) Processing helix chain 'AO' and resid 5 through 9 Processing helix chain 'AO' and resid 12 through 31 Processing helix chain 'AO' and resid 32 through 36 Processing helix chain 'AO' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAO 92 " --> pdb=" O GLUAO 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAO 93 " --> pdb=" O ILEAO 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAO 94 " --> pdb=" O ASPAO 90 " (cutoff:3.500A) Processing helix chain 'AO' and resid 101 through 122 Processing helix chain 'AO' and resid 123 through 127 Processing helix chain 'AO' and resid 130 through 135 Processing helix chain 'AO' and resid 145 through 147 No H-bonds generated for 'chain 'AO' and resid 145 through 147' Processing helix chain 'AO' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAO 152 " --> pdb=" O GLUAO 148 " (cutoff:3.500A) Processing helix chain 'AO' and resid 175 through 183 Processing helix chain 'AO' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAO 195 " --> pdb=" O ILEAO 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAO 197 " --> pdb=" O GLUAO 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAO 199 " --> pdb=" O LEUAO 195 " (cutoff:3.500A) Processing helix chain 'AP' and resid 5 through 9 Processing helix chain 'AP' and resid 12 through 31 Processing helix chain 'AP' and resid 32 through 36 Processing helix chain 'AP' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAP 92 " --> pdb=" O GLUAP 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAP 93 " --> pdb=" O ILEAP 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAP 94 " --> pdb=" O ASPAP 90 " (cutoff:3.500A) Processing helix chain 'AP' and resid 101 through 122 Processing helix chain 'AP' and resid 123 through 127 Processing helix chain 'AP' and resid 130 through 135 Processing helix chain 'AP' and resid 145 through 147 No H-bonds generated for 'chain 'AP' and resid 145 through 147' Processing helix chain 'AP' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAP 152 " --> pdb=" O GLUAP 148 " (cutoff:3.500A) Processing helix chain 'AP' and resid 175 through 183 Processing helix chain 'AP' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAP 195 " --> pdb=" O ILEAP 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAP 197 " --> pdb=" O GLUAP 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAP 199 " --> pdb=" O LEUAP 195 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 5 through 9 Processing helix chain 'AQ' and resid 12 through 31 Processing helix chain 'AQ' and resid 32 through 36 Processing helix chain 'AQ' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAQ 92 " --> pdb=" O GLUAQ 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAQ 93 " --> pdb=" O ILEAQ 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAQ 94 " --> pdb=" O ASPAQ 90 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 101 through 122 Processing helix chain 'AQ' and resid 123 through 127 Processing helix chain 'AQ' and resid 130 through 135 Processing helix chain 'AQ' and resid 145 through 147 No H-bonds generated for 'chain 'AQ' and resid 145 through 147' Processing helix chain 'AQ' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAQ 152 " --> pdb=" O GLUAQ 148 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 175 through 183 Processing helix chain 'AQ' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAQ 195 " --> pdb=" O ILEAQ 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAQ 197 " --> pdb=" O GLUAQ 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAQ 199 " --> pdb=" O LEUAQ 195 " (cutoff:3.500A) Processing helix chain 'AR' and resid 5 through 9 Processing helix chain 'AR' and resid 12 through 31 Processing helix chain 'AR' and resid 32 through 36 Processing helix chain 'AR' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAR 92 " --> pdb=" O GLUAR 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAR 93 " --> pdb=" O ILEAR 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAR 94 " --> pdb=" O ASPAR 90 " (cutoff:3.500A) Processing helix chain 'AR' and resid 101 through 122 Processing helix chain 'AR' and resid 123 through 127 Processing helix chain 'AR' and resid 130 through 135 Processing helix chain 'AR' and resid 145 through 147 No H-bonds generated for 'chain 'AR' and resid 145 through 147' Processing helix chain 'AR' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAR 152 " --> pdb=" O GLUAR 148 " (cutoff:3.500A) Processing helix chain 'AR' and resid 175 through 183 Processing helix chain 'AR' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAR 195 " --> pdb=" O ILEAR 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAR 197 " --> pdb=" O GLUAR 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAR 199 " --> pdb=" O LEUAR 195 " (cutoff:3.500A) Processing helix chain 'AS' and resid 5 through 9 Processing helix chain 'AS' and resid 12 through 31 Processing helix chain 'AS' and resid 32 through 36 Processing helix chain 'AS' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAS 92 " --> pdb=" O GLUAS 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAS 93 " --> pdb=" O ILEAS 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAS 94 " --> pdb=" O ASPAS 90 " (cutoff:3.500A) Processing helix chain 'AS' and resid 101 through 122 Processing helix chain 'AS' and resid 123 through 127 Processing helix chain 'AS' and resid 130 through 135 Processing helix chain 'AS' and resid 145 through 147 No H-bonds generated for 'chain 'AS' and resid 145 through 147' Processing helix chain 'AS' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAS 152 " --> pdb=" O GLUAS 148 " (cutoff:3.500A) Processing helix chain 'AS' and resid 175 through 183 Processing helix chain 'AS' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAS 195 " --> pdb=" O ILEAS 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAS 197 " --> pdb=" O GLUAS 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAS 199 " --> pdb=" O LEUAS 195 " (cutoff:3.500A) Processing helix chain 'AT' and resid 5 through 9 Processing helix chain 'AT' and resid 12 through 31 Processing helix chain 'AT' and resid 32 through 36 Processing helix chain 'AT' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAT 92 " --> pdb=" O GLUAT 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAT 93 " --> pdb=" O ILEAT 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAT 94 " --> pdb=" O ASPAT 90 " (cutoff:3.500A) Processing helix chain 'AT' and resid 101 through 122 Processing helix chain 'AT' and resid 123 through 127 Processing helix chain 'AT' and resid 130 through 135 Processing helix chain 'AT' and resid 145 through 147 No H-bonds generated for 'chain 'AT' and resid 145 through 147' Processing helix chain 'AT' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAT 152 " --> pdb=" O GLUAT 148 " (cutoff:3.500A) Processing helix chain 'AT' and resid 175 through 183 Processing helix chain 'AT' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUAT 195 " --> pdb=" O ILEAT 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAT 197 " --> pdb=" O GLUAT 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAT 199 " --> pdb=" O LEUAT 195 " (cutoff:3.500A) Processing helix chain 'AU' and resid 5 through 9 Processing helix chain 'AU' and resid 12 through 31 Processing helix chain 'AU' and resid 32 through 36 Processing helix chain 'AU' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAU 92 " --> pdb=" O GLUAU 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAU 93 " --> pdb=" O ILEAU 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAU 94 " --> pdb=" O ASPAU 90 " (cutoff:3.500A) Processing helix chain 'AU' and resid 101 through 122 Processing helix chain 'AU' and resid 123 through 127 Processing helix chain 'AU' and resid 130 through 135 Processing helix chain 'AU' and resid 145 through 147 No H-bonds generated for 'chain 'AU' and resid 145 through 147' Processing helix chain 'AU' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAU 152 " --> pdb=" O GLUAU 148 " (cutoff:3.500A) Processing helix chain 'AU' and resid 175 through 183 Processing helix chain 'AU' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAU 195 " --> pdb=" O ILEAU 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAU 197 " --> pdb=" O GLUAU 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAU 199 " --> pdb=" O LEUAU 195 " (cutoff:3.500A) Processing helix chain 'AV' and resid 5 through 9 Processing helix chain 'AV' and resid 12 through 31 Processing helix chain 'AV' and resid 32 through 36 Processing helix chain 'AV' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAV 92 " --> pdb=" O GLUAV 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAV 93 " --> pdb=" O ILEAV 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAV 94 " --> pdb=" O ASPAV 90 " (cutoff:3.500A) Processing helix chain 'AV' and resid 101 through 122 Processing helix chain 'AV' and resid 123 through 127 Processing helix chain 'AV' and resid 130 through 135 Processing helix chain 'AV' and resid 145 through 147 No H-bonds generated for 'chain 'AV' and resid 145 through 147' Processing helix chain 'AV' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAV 152 " --> pdb=" O GLUAV 148 " (cutoff:3.500A) Processing helix chain 'AV' and resid 175 through 183 Processing helix chain 'AV' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAV 195 " --> pdb=" O ILEAV 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAV 197 " --> pdb=" O GLUAV 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAV 199 " --> pdb=" O LEUAV 195 " (cutoff:3.500A) Processing helix chain 'AW' and resid 5 through 9 Processing helix chain 'AW' and resid 12 through 31 Processing helix chain 'AW' and resid 32 through 36 Processing helix chain 'AW' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAW 92 " --> pdb=" O GLUAW 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAW 93 " --> pdb=" O ILEAW 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAW 94 " --> pdb=" O ASPAW 90 " (cutoff:3.500A) Processing helix chain 'AW' and resid 101 through 122 Processing helix chain 'AW' and resid 123 through 127 Processing helix chain 'AW' and resid 130 through 135 Processing helix chain 'AW' and resid 145 through 147 No H-bonds generated for 'chain 'AW' and resid 145 through 147' Processing helix chain 'AW' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAW 152 " --> pdb=" O GLUAW 148 " (cutoff:3.500A) Processing helix chain 'AW' and resid 175 through 183 Processing helix chain 'AW' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAW 195 " --> pdb=" O ILEAW 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAW 197 " --> pdb=" O GLUAW 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAW 199 " --> pdb=" O LEUAW 195 " (cutoff:3.500A) Processing helix chain 'AX' and resid 5 through 9 Processing helix chain 'AX' and resid 12 through 31 Processing helix chain 'AX' and resid 32 through 36 Processing helix chain 'AX' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAX 92 " --> pdb=" O GLUAX 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAX 93 " --> pdb=" O ILEAX 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAX 94 " --> pdb=" O ASPAX 90 " (cutoff:3.500A) Processing helix chain 'AX' and resid 101 through 122 Processing helix chain 'AX' and resid 123 through 127 Processing helix chain 'AX' and resid 130 through 135 Processing helix chain 'AX' and resid 145 through 147 No H-bonds generated for 'chain 'AX' and resid 145 through 147' Processing helix chain 'AX' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAX 152 " --> pdb=" O GLUAX 148 " (cutoff:3.500A) Processing helix chain 'AX' and resid 175 through 183 Processing helix chain 'AX' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAX 195 " --> pdb=" O ILEAX 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAX 197 " --> pdb=" O GLUAX 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAX 199 " --> pdb=" O LEUAX 195 " (cutoff:3.500A) Processing helix chain 'AY' and resid 5 through 9 Processing helix chain 'AY' and resid 12 through 31 Processing helix chain 'AY' and resid 32 through 36 Processing helix chain 'AY' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAY 92 " --> pdb=" O GLUAY 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAY 93 " --> pdb=" O ILEAY 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAY 94 " --> pdb=" O ASPAY 90 " (cutoff:3.500A) Processing helix chain 'AY' and resid 101 through 122 Processing helix chain 'AY' and resid 123 through 127 Processing helix chain 'AY' and resid 130 through 135 Processing helix chain 'AY' and resid 145 through 147 No H-bonds generated for 'chain 'AY' and resid 145 through 147' Processing helix chain 'AY' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAY 152 " --> pdb=" O GLUAY 148 " (cutoff:3.500A) Processing helix chain 'AY' and resid 175 through 183 Processing helix chain 'AY' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAY 195 " --> pdb=" O ILEAY 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAY 197 " --> pdb=" O GLUAY 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAY 199 " --> pdb=" O LEUAY 195 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 5 through 9 Processing helix chain 'AZ' and resid 12 through 31 Processing helix chain 'AZ' and resid 32 through 36 Processing helix chain 'AZ' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAZ 92 " --> pdb=" O GLUAZ 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAZ 93 " --> pdb=" O ILEAZ 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAZ 94 " --> pdb=" O ASPAZ 90 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 101 through 122 Processing helix chain 'AZ' and resid 123 through 127 Processing helix chain 'AZ' and resid 130 through 135 Processing helix chain 'AZ' and resid 145 through 147 No H-bonds generated for 'chain 'AZ' and resid 145 through 147' Processing helix chain 'AZ' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAZ 152 " --> pdb=" O GLUAZ 148 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 175 through 183 Processing helix chain 'AZ' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAZ 195 " --> pdb=" O ILEAZ 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAZ 197 " --> pdb=" O GLUAZ 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAZ 199 " --> pdb=" O LEUAZ 195 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 5 through 9 Processing helix chain 'Aa' and resid 12 through 31 Processing helix chain 'Aa' and resid 32 through 36 Processing helix chain 'Aa' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAa 92 " --> pdb=" O GLUAa 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAa 93 " --> pdb=" O ILEAa 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAa 94 " --> pdb=" O ASPAa 90 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 101 through 122 Processing helix chain 'Aa' and resid 123 through 127 Processing helix chain 'Aa' and resid 130 through 135 Processing helix chain 'Aa' and resid 145 through 147 No H-bonds generated for 'chain 'Aa' and resid 145 through 147' Processing helix chain 'Aa' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAa 152 " --> pdb=" O GLUAa 148 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 175 through 183 Processing helix chain 'Aa' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAa 195 " --> pdb=" O ILEAa 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAa 197 " --> pdb=" O GLUAa 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAa 199 " --> pdb=" O LEUAa 195 " (cutoff:3.500A) Processing helix chain 'Ab' and resid 5 through 9 Processing helix chain 'Ab' and resid 12 through 31 Processing helix chain 'Ab' and resid 32 through 36 Processing helix chain 'Ab' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAb 92 " --> pdb=" O GLUAb 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAb 93 " --> pdb=" O ILEAb 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAb 94 " --> pdb=" O ASPAb 90 " (cutoff:3.500A) Processing helix chain 'Ab' and resid 101 through 122 Processing helix chain 'Ab' and resid 123 through 127 Processing helix chain 'Ab' and resid 130 through 135 Processing helix chain 'Ab' and resid 145 through 147 No H-bonds generated for 'chain 'Ab' and resid 145 through 147' Processing helix chain 'Ab' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAb 152 " --> pdb=" O GLUAb 148 " (cutoff:3.500A) Processing helix chain 'Ab' and resid 175 through 183 Processing helix chain 'Ab' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUAb 195 " --> pdb=" O ILEAb 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAb 197 " --> pdb=" O GLUAb 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAb 199 " --> pdb=" O LEUAb 195 " (cutoff:3.500A) Processing helix chain 'Ac' and resid 5 through 9 Processing helix chain 'Ac' and resid 12 through 31 Processing helix chain 'Ac' and resid 32 through 36 Processing helix chain 'Ac' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAc 92 " --> pdb=" O GLUAc 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAc 93 " --> pdb=" O ILEAc 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAc 94 " --> pdb=" O ASPAc 90 " (cutoff:3.500A) Processing helix chain 'Ac' and resid 101 through 122 Processing helix chain 'Ac' and resid 123 through 127 Processing helix chain 'Ac' and resid 130 through 135 Processing helix chain 'Ac' and resid 145 through 147 No H-bonds generated for 'chain 'Ac' and resid 145 through 147' Processing helix chain 'Ac' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAc 152 " --> pdb=" O GLUAc 148 " (cutoff:3.500A) Processing helix chain 'Ac' and resid 175 through 183 Processing helix chain 'Ac' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUAc 195 " --> pdb=" O ILEAc 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAc 197 " --> pdb=" O GLUAc 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAc 199 " --> pdb=" O LEUAc 195 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 5 through 9 Processing helix chain 'Ad' and resid 12 through 31 Processing helix chain 'Ad' and resid 32 through 36 Processing helix chain 'Ad' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAd 92 " --> pdb=" O GLUAd 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAd 93 " --> pdb=" O ILEAd 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAd 94 " --> pdb=" O ASPAd 90 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 101 through 122 Processing helix chain 'Ad' and resid 123 through 127 Processing helix chain 'Ad' and resid 130 through 135 Processing helix chain 'Ad' and resid 145 through 147 No H-bonds generated for 'chain 'Ad' and resid 145 through 147' Processing helix chain 'Ad' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAd 152 " --> pdb=" O GLUAd 148 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 175 through 183 Processing helix chain 'Ad' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAd 195 " --> pdb=" O ILEAd 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAd 197 " --> pdb=" O GLUAd 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAd 199 " --> pdb=" O LEUAd 195 " (cutoff:3.500A) Processing helix chain 'Ae' and resid 5 through 9 Processing helix chain 'Ae' and resid 12 through 31 Processing helix chain 'Ae' and resid 32 through 36 Processing helix chain 'Ae' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAe 92 " --> pdb=" O GLUAe 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAe 93 " --> pdb=" O ILEAe 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAe 94 " --> pdb=" O ASPAe 90 " (cutoff:3.500A) Processing helix chain 'Ae' and resid 101 through 122 Processing helix chain 'Ae' and resid 123 through 127 Processing helix chain 'Ae' and resid 130 through 135 Processing helix chain 'Ae' and resid 145 through 147 No H-bonds generated for 'chain 'Ae' and resid 145 through 147' Processing helix chain 'Ae' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAe 152 " --> pdb=" O GLUAe 148 " (cutoff:3.500A) Processing helix chain 'Ae' and resid 175 through 183 Processing helix chain 'Ae' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAe 195 " --> pdb=" O ILEAe 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAe 197 " --> pdb=" O GLUAe 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAe 199 " --> pdb=" O LEUAe 195 " (cutoff:3.500A) Processing helix chain 'Af' and resid 5 through 9 Processing helix chain 'Af' and resid 12 through 31 Processing helix chain 'Af' and resid 32 through 36 Processing helix chain 'Af' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAf 92 " --> pdb=" O GLUAf 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAf 93 " --> pdb=" O ILEAf 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAf 94 " --> pdb=" O ASPAf 90 " (cutoff:3.500A) Processing helix chain 'Af' and resid 101 through 122 Processing helix chain 'Af' and resid 123 through 127 Processing helix chain 'Af' and resid 130 through 135 Processing helix chain 'Af' and resid 145 through 147 No H-bonds generated for 'chain 'Af' and resid 145 through 147' Processing helix chain 'Af' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAf 152 " --> pdb=" O GLUAf 148 " (cutoff:3.500A) Processing helix chain 'Af' and resid 175 through 183 Processing helix chain 'Af' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAf 195 " --> pdb=" O ILEAf 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAf 197 " --> pdb=" O GLUAf 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAf 199 " --> pdb=" O LEUAf 195 " (cutoff:3.500A) Processing helix chain 'Ag' and resid 5 through 9 Processing helix chain 'Ag' and resid 12 through 31 Processing helix chain 'Ag' and resid 32 through 36 Processing helix chain 'Ag' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAg 92 " --> pdb=" O GLUAg 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAg 93 " --> pdb=" O ILEAg 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAg 94 " --> pdb=" O ASPAg 90 " (cutoff:3.500A) Processing helix chain 'Ag' and resid 101 through 122 Processing helix chain 'Ag' and resid 123 through 127 Processing helix chain 'Ag' and resid 130 through 135 Processing helix chain 'Ag' and resid 145 through 147 No H-bonds generated for 'chain 'Ag' and resid 145 through 147' Processing helix chain 'Ag' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAg 152 " --> pdb=" O GLUAg 148 " (cutoff:3.500A) Processing helix chain 'Ag' and resid 175 through 183 Processing helix chain 'Ag' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAg 195 " --> pdb=" O ILEAg 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAg 197 " --> pdb=" O GLUAg 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAg 199 " --> pdb=" O LEUAg 195 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 5 through 9 Processing helix chain 'Ah' and resid 12 through 31 Processing helix chain 'Ah' and resid 32 through 36 Processing helix chain 'Ah' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAh 92 " --> pdb=" O GLUAh 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAh 93 " --> pdb=" O ILEAh 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAh 94 " --> pdb=" O ASPAh 90 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 101 through 122 Processing helix chain 'Ah' and resid 123 through 127 Processing helix chain 'Ah' and resid 130 through 135 Processing helix chain 'Ah' and resid 145 through 147 No H-bonds generated for 'chain 'Ah' and resid 145 through 147' Processing helix chain 'Ah' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAh 152 " --> pdb=" O GLUAh 148 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 175 through 183 Processing helix chain 'Ah' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAh 195 " --> pdb=" O ILEAh 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAh 197 " --> pdb=" O GLUAh 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAh 199 " --> pdb=" O LEUAh 195 " (cutoff:3.500A) Processing helix chain 'Ai' and resid 5 through 9 Processing helix chain 'Ai' and resid 12 through 31 Processing helix chain 'Ai' and resid 32 through 36 Processing helix chain 'Ai' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAi 92 " --> pdb=" O GLUAi 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAi 93 " --> pdb=" O ILEAi 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAi 94 " --> pdb=" O ASPAi 90 " (cutoff:3.500A) Processing helix chain 'Ai' and resid 101 through 122 Processing helix chain 'Ai' and resid 123 through 127 Processing helix chain 'Ai' and resid 130 through 135 Processing helix chain 'Ai' and resid 145 through 147 No H-bonds generated for 'chain 'Ai' and resid 145 through 147' Processing helix chain 'Ai' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAi 152 " --> pdb=" O GLUAi 148 " (cutoff:3.500A) Processing helix chain 'Ai' and resid 175 through 183 Processing helix chain 'Ai' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAi 195 " --> pdb=" O ILEAi 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAi 197 " --> pdb=" O GLUAi 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAi 199 " --> pdb=" O LEUAi 195 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 5 through 9 Processing helix chain 'Aj' and resid 12 through 31 Processing helix chain 'Aj' and resid 32 through 36 Processing helix chain 'Aj' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAj 92 " --> pdb=" O GLUAj 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAj 93 " --> pdb=" O ILEAj 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAj 94 " --> pdb=" O ASPAj 90 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 101 through 122 Processing helix chain 'Aj' and resid 123 through 127 Processing helix chain 'Aj' and resid 130 through 135 Processing helix chain 'Aj' and resid 145 through 147 No H-bonds generated for 'chain 'Aj' and resid 145 through 147' Processing helix chain 'Aj' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAj 152 " --> pdb=" O GLUAj 148 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 175 through 183 Processing helix chain 'Aj' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAj 195 " --> pdb=" O ILEAj 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAj 197 " --> pdb=" O GLUAj 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAj 199 " --> pdb=" O LEUAj 195 " (cutoff:3.500A) Processing helix chain 'Ak' and resid 5 through 9 Processing helix chain 'Ak' and resid 12 through 31 Processing helix chain 'Ak' and resid 32 through 36 Processing helix chain 'Ak' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAk 92 " --> pdb=" O GLUAk 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAk 93 " --> pdb=" O ILEAk 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAk 94 " --> pdb=" O ASPAk 90 " (cutoff:3.500A) Processing helix chain 'Ak' and resid 101 through 122 Processing helix chain 'Ak' and resid 123 through 127 Processing helix chain 'Ak' and resid 130 through 135 Processing helix chain 'Ak' and resid 145 through 147 No H-bonds generated for 'chain 'Ak' and resid 145 through 147' Processing helix chain 'Ak' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAk 152 " --> pdb=" O GLUAk 148 " (cutoff:3.500A) Processing helix chain 'Ak' and resid 175 through 183 Processing helix chain 'Ak' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAk 195 " --> pdb=" O ILEAk 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAk 197 " --> pdb=" O GLUAk 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAk 199 " --> pdb=" O LEUAk 195 " (cutoff:3.500A) Processing helix chain 'Al' and resid 5 through 9 Processing helix chain 'Al' and resid 12 through 31 Processing helix chain 'Al' and resid 32 through 36 Processing helix chain 'Al' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAl 92 " --> pdb=" O GLUAl 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAl 93 " --> pdb=" O ILEAl 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAl 94 " --> pdb=" O ASPAl 90 " (cutoff:3.500A) Processing helix chain 'Al' and resid 101 through 122 Processing helix chain 'Al' and resid 123 through 127 Processing helix chain 'Al' and resid 130 through 135 Processing helix chain 'Al' and resid 145 through 147 No H-bonds generated for 'chain 'Al' and resid 145 through 147' Processing helix chain 'Al' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAl 152 " --> pdb=" O GLUAl 148 " (cutoff:3.500A) Processing helix chain 'Al' and resid 175 through 183 Processing helix chain 'Al' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAl 195 " --> pdb=" O ILEAl 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAl 197 " --> pdb=" O GLUAl 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAl 199 " --> pdb=" O LEUAl 195 " (cutoff:3.500A) Processing helix chain 'Am' and resid 5 through 9 Processing helix chain 'Am' and resid 12 through 31 Processing helix chain 'Am' and resid 32 through 36 Processing helix chain 'Am' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAm 92 " --> pdb=" O GLUAm 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAm 93 " --> pdb=" O ILEAm 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAm 94 " --> pdb=" O ASPAm 90 " (cutoff:3.500A) Processing helix chain 'Am' and resid 101 through 122 Processing helix chain 'Am' and resid 123 through 127 Processing helix chain 'Am' and resid 130 through 135 Processing helix chain 'Am' and resid 145 through 147 No H-bonds generated for 'chain 'Am' and resid 145 through 147' Processing helix chain 'Am' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAm 152 " --> pdb=" O GLUAm 148 " (cutoff:3.500A) Processing helix chain 'Am' and resid 175 through 183 Processing helix chain 'Am' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAm 195 " --> pdb=" O ILEAm 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAm 197 " --> pdb=" O GLUAm 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAm 199 " --> pdb=" O LEUAm 195 " (cutoff:3.500A) Processing helix chain 'An' and resid 5 through 9 Processing helix chain 'An' and resid 12 through 31 Processing helix chain 'An' and resid 32 through 36 Processing helix chain 'An' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAn 92 " --> pdb=" O GLUAn 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAn 93 " --> pdb=" O ILEAn 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAn 94 " --> pdb=" O ASPAn 90 " (cutoff:3.500A) Processing helix chain 'An' and resid 101 through 122 Processing helix chain 'An' and resid 123 through 127 Processing helix chain 'An' and resid 130 through 135 Processing helix chain 'An' and resid 145 through 147 No H-bonds generated for 'chain 'An' and resid 145 through 147' Processing helix chain 'An' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAn 152 " --> pdb=" O GLUAn 148 " (cutoff:3.500A) Processing helix chain 'An' and resid 175 through 183 Processing helix chain 'An' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAn 195 " --> pdb=" O ILEAn 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAn 197 " --> pdb=" O GLUAn 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAn 199 " --> pdb=" O LEUAn 195 " (cutoff:3.500A) Processing helix chain 'Ao' and resid 5 through 9 Processing helix chain 'Ao' and resid 12 through 31 Processing helix chain 'Ao' and resid 32 through 36 Processing helix chain 'Ao' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAo 92 " --> pdb=" O GLUAo 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAo 93 " --> pdb=" O ILEAo 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAo 94 " --> pdb=" O ASPAo 90 " (cutoff:3.500A) Processing helix chain 'Ao' and resid 101 through 122 Processing helix chain 'Ao' and resid 123 through 127 Processing helix chain 'Ao' and resid 130 through 135 Processing helix chain 'Ao' and resid 145 through 147 No H-bonds generated for 'chain 'Ao' and resid 145 through 147' Processing helix chain 'Ao' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAo 152 " --> pdb=" O GLUAo 148 " (cutoff:3.500A) Processing helix chain 'Ao' and resid 175 through 183 Processing helix chain 'Ao' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAo 195 " --> pdb=" O ILEAo 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAo 197 " --> pdb=" O GLUAo 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAo 199 " --> pdb=" O LEUAo 195 " (cutoff:3.500A) Processing helix chain 'Ap' and resid 5 through 9 Processing helix chain 'Ap' and resid 12 through 31 Processing helix chain 'Ap' and resid 32 through 36 Processing helix chain 'Ap' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAp 92 " --> pdb=" O GLUAp 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAp 93 " --> pdb=" O ILEAp 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAp 94 " --> pdb=" O ASPAp 90 " (cutoff:3.500A) Processing helix chain 'Ap' and resid 101 through 122 Processing helix chain 'Ap' and resid 123 through 127 Processing helix chain 'Ap' and resid 130 through 135 Processing helix chain 'Ap' and resid 145 through 147 No H-bonds generated for 'chain 'Ap' and resid 145 through 147' Processing helix chain 'Ap' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAp 152 " --> pdb=" O GLUAp 148 " (cutoff:3.500A) Processing helix chain 'Ap' and resid 175 through 183 Processing helix chain 'Ap' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAp 195 " --> pdb=" O ILEAp 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAp 197 " --> pdb=" O GLUAp 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAp 199 " --> pdb=" O LEUAp 195 " (cutoff:3.500A) Processing helix chain 'Aq' and resid 5 through 9 Processing helix chain 'Aq' and resid 12 through 31 Processing helix chain 'Aq' and resid 32 through 36 Processing helix chain 'Aq' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAq 92 " --> pdb=" O GLUAq 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAq 93 " --> pdb=" O ILEAq 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAq 94 " --> pdb=" O ASPAq 90 " (cutoff:3.500A) Processing helix chain 'Aq' and resid 101 through 122 Processing helix chain 'Aq' and resid 123 through 127 Processing helix chain 'Aq' and resid 130 through 135 Processing helix chain 'Aq' and resid 145 through 147 No H-bonds generated for 'chain 'Aq' and resid 145 through 147' Processing helix chain 'Aq' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAq 152 " --> pdb=" O GLUAq 148 " (cutoff:3.500A) Processing helix chain 'Aq' and resid 175 through 183 Processing helix chain 'Aq' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUAq 195 " --> pdb=" O ILEAq 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAq 197 " --> pdb=" O GLUAq 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAq 199 " --> pdb=" O LEUAq 195 " (cutoff:3.500A) Processing helix chain 'Ar' and resid 5 through 9 Processing helix chain 'Ar' and resid 12 through 31 Processing helix chain 'Ar' and resid 32 through 36 Processing helix chain 'Ar' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAr 92 " --> pdb=" O GLUAr 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAr 93 " --> pdb=" O ILEAr 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAr 94 " --> pdb=" O ASPAr 90 " (cutoff:3.500A) Processing helix chain 'Ar' and resid 101 through 122 Processing helix chain 'Ar' and resid 123 through 127 Processing helix chain 'Ar' and resid 130 through 135 Processing helix chain 'Ar' and resid 145 through 147 No H-bonds generated for 'chain 'Ar' and resid 145 through 147' Processing helix chain 'Ar' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAr 152 " --> pdb=" O GLUAr 148 " (cutoff:3.500A) Processing helix chain 'Ar' and resid 175 through 183 Processing helix chain 'Ar' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAr 195 " --> pdb=" O ILEAr 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAr 197 " --> pdb=" O GLUAr 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAr 199 " --> pdb=" O LEUAr 195 " (cutoff:3.500A) Processing helix chain 'As' and resid 5 through 9 Processing helix chain 'As' and resid 12 through 31 Processing helix chain 'As' and resid 32 through 36 Processing helix chain 'As' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAs 92 " --> pdb=" O GLUAs 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAs 93 " --> pdb=" O ILEAs 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAs 94 " --> pdb=" O ASPAs 90 " (cutoff:3.500A) Processing helix chain 'As' and resid 101 through 122 Processing helix chain 'As' and resid 123 through 127 Processing helix chain 'As' and resid 130 through 135 Processing helix chain 'As' and resid 145 through 147 No H-bonds generated for 'chain 'As' and resid 145 through 147' Processing helix chain 'As' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAs 152 " --> pdb=" O GLUAs 148 " (cutoff:3.500A) Processing helix chain 'As' and resid 175 through 183 Processing helix chain 'As' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAs 195 " --> pdb=" O ILEAs 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAs 197 " --> pdb=" O GLUAs 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAs 199 " --> pdb=" O LEUAs 195 " (cutoff:3.500A) Processing helix chain 'At' and resid 5 through 9 Processing helix chain 'At' and resid 12 through 31 Processing helix chain 'At' and resid 32 through 36 Processing helix chain 'At' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAt 92 " --> pdb=" O GLUAt 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAt 93 " --> pdb=" O ILEAt 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAt 94 " --> pdb=" O ASPAt 90 " (cutoff:3.500A) Processing helix chain 'At' and resid 101 through 122 Processing helix chain 'At' and resid 123 through 127 Processing helix chain 'At' and resid 130 through 135 Processing helix chain 'At' and resid 145 through 147 No H-bonds generated for 'chain 'At' and resid 145 through 147' Processing helix chain 'At' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAt 152 " --> pdb=" O GLUAt 148 " (cutoff:3.500A) Processing helix chain 'At' and resid 175 through 183 Processing helix chain 'At' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAt 195 " --> pdb=" O ILEAt 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAt 197 " --> pdb=" O GLUAt 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAt 199 " --> pdb=" O LEUAt 195 " (cutoff:3.500A) Processing helix chain 'Au' and resid 5 through 9 Processing helix chain 'Au' and resid 12 through 31 Processing helix chain 'Au' and resid 32 through 36 Processing helix chain 'Au' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAu 92 " --> pdb=" O GLUAu 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAu 93 " --> pdb=" O ILEAu 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAu 94 " --> pdb=" O ASPAu 90 " (cutoff:3.500A) Processing helix chain 'Au' and resid 101 through 122 Processing helix chain 'Au' and resid 123 through 127 Processing helix chain 'Au' and resid 130 through 135 Processing helix chain 'Au' and resid 145 through 147 No H-bonds generated for 'chain 'Au' and resid 145 through 147' Processing helix chain 'Au' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAu 152 " --> pdb=" O GLUAu 148 " (cutoff:3.500A) Processing helix chain 'Au' and resid 175 through 183 Processing helix chain 'Au' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAu 195 " --> pdb=" O ILEAu 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAu 197 " --> pdb=" O GLUAu 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAu 199 " --> pdb=" O LEUAu 195 " (cutoff:3.500A) Processing helix chain 'Av' and resid 5 through 9 Processing helix chain 'Av' and resid 12 through 31 Processing helix chain 'Av' and resid 32 through 36 Processing helix chain 'Av' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAv 92 " --> pdb=" O GLUAv 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAv 93 " --> pdb=" O ILEAv 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAv 94 " --> pdb=" O ASPAv 90 " (cutoff:3.500A) Processing helix chain 'Av' and resid 101 through 122 Processing helix chain 'Av' and resid 123 through 127 Processing helix chain 'Av' and resid 130 through 135 Processing helix chain 'Av' and resid 145 through 147 No H-bonds generated for 'chain 'Av' and resid 145 through 147' Processing helix chain 'Av' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAv 152 " --> pdb=" O GLUAv 148 " (cutoff:3.500A) Processing helix chain 'Av' and resid 175 through 183 Processing helix chain 'Av' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAv 195 " --> pdb=" O ILEAv 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAv 197 " --> pdb=" O GLUAv 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAv 199 " --> pdb=" O LEUAv 195 " (cutoff:3.500A) Processing helix chain 'Aw' and resid 5 through 9 Processing helix chain 'Aw' and resid 12 through 31 Processing helix chain 'Aw' and resid 32 through 36 Processing helix chain 'Aw' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAw 92 " --> pdb=" O GLUAw 88 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLUAw 93 " --> pdb=" O ILEAw 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAw 94 " --> pdb=" O ASPAw 90 " (cutoff:3.500A) Processing helix chain 'Aw' and resid 101 through 122 Processing helix chain 'Aw' and resid 123 through 127 Processing helix chain 'Aw' and resid 130 through 135 Processing helix chain 'Aw' and resid 145 through 147 No H-bonds generated for 'chain 'Aw' and resid 145 through 147' Processing helix chain 'Aw' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAw 152 " --> pdb=" O GLUAw 148 " (cutoff:3.500A) Processing helix chain 'Aw' and resid 175 through 183 Processing helix chain 'Aw' and resid 191 through 199 removed outlier: 3.510A pdb=" N LEUAw 195 " --> pdb=" O ILEAw 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAw 197 " --> pdb=" O GLUAw 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAw 199 " --> pdb=" O LEUAw 195 " (cutoff:3.500A) Processing helix chain 'Ax' and resid 5 through 9 Processing helix chain 'Ax' and resid 12 through 31 Processing helix chain 'Ax' and resid 32 through 36 Processing helix chain 'Ax' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAx 92 " --> pdb=" O GLUAx 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAx 93 " --> pdb=" O ILEAx 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAx 94 " --> pdb=" O ASPAx 90 " (cutoff:3.500A) Processing helix chain 'Ax' and resid 101 through 122 Processing helix chain 'Ax' and resid 123 through 127 Processing helix chain 'Ax' and resid 130 through 135 Processing helix chain 'Ax' and resid 145 through 147 No H-bonds generated for 'chain 'Ax' and resid 145 through 147' Processing helix chain 'Ax' and resid 148 through 163 removed outlier: 3.532A pdb=" N VALAx 152 " --> pdb=" O GLUAx 148 " (cutoff:3.500A) Processing helix chain 'Ax' and resid 175 through 183 Processing helix chain 'Ax' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAx 195 " --> pdb=" O ILEAx 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAx 197 " --> pdb=" O GLUAx 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAx 199 " --> pdb=" O LEUAx 195 " (cutoff:3.500A) Processing helix chain 'Ay' and resid 5 through 9 Processing helix chain 'Ay' and resid 12 through 31 Processing helix chain 'Ay' and resid 32 through 36 Processing helix chain 'Ay' and resid 86 through 94 removed outlier: 3.629A pdb=" N VALAy 92 " --> pdb=" O GLUAy 88 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLUAy 93 " --> pdb=" O ILEAy 89 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARGAy 94 " --> pdb=" O ASPAy 90 " (cutoff:3.500A) Processing helix chain 'Ay' and resid 101 through 122 Processing helix chain 'Ay' and resid 123 through 127 Processing helix chain 'Ay' and resid 130 through 135 Processing helix chain 'Ay' and resid 145 through 147 No H-bonds generated for 'chain 'Ay' and resid 145 through 147' Processing helix chain 'Ay' and resid 148 through 163 removed outlier: 3.533A pdb=" N VALAy 152 " --> pdb=" O GLUAy 148 " (cutoff:3.500A) Processing helix chain 'Ay' and resid 175 through 183 Processing helix chain 'Ay' and resid 191 through 199 removed outlier: 3.509A pdb=" N LEUAy 195 " --> pdb=" O ILEAy 191 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARGAy 197 " --> pdb=" O GLUAy 193 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VALAy 199 " --> pdb=" O LEUAy 195 " (cutoff:3.500A) Processing sheet with id=AA1, first strand: chain 'A1' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPA1 38 " --> pdb=" O LEUA1 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUA1 226 " --> pdb=" O ASPA1 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRA1 249 " --> pdb=" O GLYA1 227 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPA1 229 " --> pdb=" O GLNA1 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNA1 247 " --> pdb=" O ASPA1 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAA1 231 " --> pdb=" O TYRA1 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRA1 245 " --> pdb=" O ALAA1 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYA1 233 " --> pdb=" O ARGA1 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGA1 243 " --> pdb=" O GLYA1 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAA1 235 " --> pdb=" O THRA1 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRA1 241 " --> pdb=" O ALAA1 235 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAu 54 " --> pdb=" O ALAAu 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAu 73 " --> pdb=" O THRAu 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAu 52 " --> pdb=" O LYSAu 73 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'A1' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRA1 52 " --> pdb=" O LYSA1 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSA1 73 " --> pdb=" O THRA1 52 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGA1 54 " --> pdb=" O ALAA1 71 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAu 241 " --> pdb=" O ALAAu 235 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAu 235 " --> pdb=" O THRAu 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAu 243 " --> pdb=" O GLYAu 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAu 233 " --> pdb=" O ARGAu 243 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAu 245 " --> pdb=" O ALAAu 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAu 231 " --> pdb=" O TYRAu 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAu 247 " --> pdb=" O ASPAu 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAu 229 " --> pdb=" O GLNAu 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAu 249 " --> pdb=" O GLYAu 227 " (cutoff:3.500A) removed outlier: 6.293A pdb=" N ASPAu 38 " --> pdb=" O LEUAu 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAu 226 " --> pdb=" O ASPAu 38 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'A1' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEA1 204 " --> pdb=" O TYRA1 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALA1 171 " --> pdb=" O ILEA1 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAA1 206 " --> pdb=" O VALA1 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUA1 173 " --> pdb=" O ALAA1 206 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'A1' and resid 185 through 186 Processing sheet with id=AA5, first strand: chain 'A2' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPA2 38 " --> pdb=" O LEUA2 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUA2 226 " --> pdb=" O ASPA2 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRA2 249 " --> pdb=" O GLYA2 227 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPA2 229 " --> pdb=" O GLNA2 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNA2 247 " --> pdb=" O ASPA2 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAA2 231 " --> pdb=" O TYRA2 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRA2 245 " --> pdb=" O ALAA2 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYA2 233 " --> pdb=" O ARGA2 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGA2 243 " --> pdb=" O GLYA2 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAA2 235 " --> pdb=" O THRA2 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRA2 241 " --> pdb=" O ALAA2 235 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAd 54 " --> pdb=" O ALAAd 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAd 73 " --> pdb=" O THRAd 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAd 52 " --> pdb=" O LYSAd 73 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'A2' and resid 49 through 57 removed outlier: 7.318A pdb=" N THRA2 52 " --> pdb=" O LYSA2 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSA2 73 " --> pdb=" O THRA2 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGA2 54 " --> pdb=" O ALAA2 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAd 241 " --> pdb=" O ALAAd 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAd 235 " --> pdb=" O THRAd 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAd 243 " --> pdb=" O GLYAd 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAd 233 " --> pdb=" O ARGAd 243 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAd 245 " --> pdb=" O ALAAd 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAd 231 " --> pdb=" O TYRAd 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAd 247 " --> pdb=" O ASPAd 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAd 229 " --> pdb=" O GLNAd 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAd 249 " --> pdb=" O GLYAd 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAd 38 " --> pdb=" O LEUAd 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAd 226 " --> pdb=" O ASPAd 38 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'A2' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEA2 204 " --> pdb=" O TYRA2 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALA2 171 " --> pdb=" O ILEA2 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAA2 206 " --> pdb=" O VALA2 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUA2 173 " --> pdb=" O ALAA2 206 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'A2' and resid 185 through 186 Processing sheet with id=AA9, first strand: chain 'A3' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPA3 38 " --> pdb=" O LEUA3 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUA3 226 " --> pdb=" O ASPA3 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRA3 249 " --> pdb=" O GLYA3 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPA3 229 " --> pdb=" O GLNA3 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNA3 247 " --> pdb=" O ASPA3 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAA3 231 " --> pdb=" O TYRA3 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRA3 245 " --> pdb=" O ALAA3 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYA3 233 " --> pdb=" O ARGA3 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGA3 243 " --> pdb=" O GLYA3 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAA3 235 " --> pdb=" O THRA3 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRA3 241 " --> pdb=" O ALAA3 235 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGAL 54 " --> pdb=" O ALAAL 71 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSAL 73 " --> pdb=" O THRAL 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAL 52 " --> pdb=" O LYSAL 73 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'A3' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRA3 52 " --> pdb=" O LYSA3 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSA3 73 " --> pdb=" O THRA3 52 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGA3 54 " --> pdb=" O ALAA3 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAL 241 " --> pdb=" O ALAAL 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAL 235 " --> pdb=" O THRAL 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAL 243 " --> pdb=" O GLYAL 233 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYAL 233 " --> pdb=" O ARGAL 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAL 245 " --> pdb=" O ALAAL 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAL 231 " --> pdb=" O TYRAL 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAL 247 " --> pdb=" O ASPAL 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAL 229 " --> pdb=" O GLNAL 247 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRAL 249 " --> pdb=" O GLYAL 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAL 38 " --> pdb=" O LEUAL 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAL 226 " --> pdb=" O ASPAL 38 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'A3' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEA3 204 " --> pdb=" O TYRA3 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALA3 171 " --> pdb=" O ILEA3 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAA3 206 " --> pdb=" O VALA3 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUA3 173 " --> pdb=" O ALAA3 206 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'A3' and resid 185 through 186 Processing sheet with id=AB4, first strand: chain 'A4' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPA4 38 " --> pdb=" O LEUA4 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUA4 226 " --> pdb=" O ASPA4 38 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRA4 249 " --> pdb=" O GLYA4 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPA4 229 " --> pdb=" O GLNA4 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNA4 247 " --> pdb=" O ASPA4 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAA4 231 " --> pdb=" O TYRA4 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRA4 245 " --> pdb=" O ALAA4 231 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYA4 233 " --> pdb=" O ARGA4 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGA4 243 " --> pdb=" O GLYA4 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAA4 235 " --> pdb=" O THRA4 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRA4 241 " --> pdb=" O ALAA4 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAP 54 " --> pdb=" O ALAAP 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAP 73 " --> pdb=" O THRAP 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAP 52 " --> pdb=" O LYSAP 73 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'A4' and resid 49 through 57 removed outlier: 7.318A pdb=" N THRA4 52 " --> pdb=" O LYSA4 73 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSA4 73 " --> pdb=" O THRA4 52 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGA4 54 " --> pdb=" O ALAA4 71 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAP 241 " --> pdb=" O ALAAP 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAP 235 " --> pdb=" O THRAP 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAP 243 " --> pdb=" O GLYAP 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAP 233 " --> pdb=" O ARGAP 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAP 245 " --> pdb=" O ALAAP 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAP 231 " --> pdb=" O TYRAP 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAP 247 " --> pdb=" O ASPAP 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAP 229 " --> pdb=" O GLNAP 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAP 249 " --> pdb=" O GLYAP 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAP 38 " --> pdb=" O LEUAP 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAP 226 " --> pdb=" O ASPAP 38 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'A4' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEA4 204 " --> pdb=" O TYRA4 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALA4 171 " --> pdb=" O ILEA4 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAA4 206 " --> pdb=" O VALA4 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUA4 173 " --> pdb=" O ALAA4 206 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'A4' and resid 185 through 186 Processing sheet with id=AB8, first strand: chain 'A5' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPA5 38 " --> pdb=" O LEUA5 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUA5 226 " --> pdb=" O ASPA5 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRA5 249 " --> pdb=" O GLYA5 227 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPA5 229 " --> pdb=" O GLNA5 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNA5 247 " --> pdb=" O ASPA5 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAA5 231 " --> pdb=" O TYRA5 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRA5 245 " --> pdb=" O ALAA5 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYA5 233 " --> pdb=" O ARGA5 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGA5 243 " --> pdb=" O GLYA5 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAA5 235 " --> pdb=" O THRA5 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRA5 241 " --> pdb=" O ALAA5 235 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAs 54 " --> pdb=" O ALAAs 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAs 73 " --> pdb=" O THRAs 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAs 52 " --> pdb=" O LYSAs 73 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'A5' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRA5 52 " --> pdb=" O LYSA5 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSA5 73 " --> pdb=" O THRA5 52 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGA5 54 " --> pdb=" O ALAA5 71 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAs 241 " --> pdb=" O ALAAs 235 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAs 235 " --> pdb=" O THRAs 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAs 243 " --> pdb=" O GLYAs 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAs 233 " --> pdb=" O ARGAs 243 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAs 245 " --> pdb=" O ALAAs 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAs 231 " --> pdb=" O TYRAs 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAs 247 " --> pdb=" O ASPAs 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAs 229 " --> pdb=" O GLNAs 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAs 249 " --> pdb=" O GLYAs 227 " (cutoff:3.500A) removed outlier: 6.293A pdb=" N ASPAs 38 " --> pdb=" O LEUAs 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAs 226 " --> pdb=" O ASPAs 38 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'A5' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEA5 204 " --> pdb=" O TYRA5 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALA5 171 " --> pdb=" O ILEA5 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAA5 206 " --> pdb=" O VALA5 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUA5 173 " --> pdb=" O ALAA5 206 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'A5' and resid 185 through 186 Processing sheet with id=AC3, first strand: chain 'A6' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPA6 38 " --> pdb=" O LEUA6 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUA6 226 " --> pdb=" O ASPA6 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRA6 249 " --> pdb=" O GLYA6 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPA6 229 " --> pdb=" O GLNA6 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNA6 247 " --> pdb=" O ASPA6 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAA6 231 " --> pdb=" O TYRA6 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRA6 245 " --> pdb=" O ALAA6 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYA6 233 " --> pdb=" O ARGA6 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGA6 243 " --> pdb=" O GLYA6 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAA6 235 " --> pdb=" O THRA6 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRA6 241 " --> pdb=" O ALAA6 235 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGAc 54 " --> pdb=" O ALAAc 71 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSAc 73 " --> pdb=" O THRAc 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAc 52 " --> pdb=" O LYSAc 73 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'A6' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRA6 52 " --> pdb=" O LYSA6 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSA6 73 " --> pdb=" O THRA6 52 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGA6 54 " --> pdb=" O ALAA6 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAc 241 " --> pdb=" O ALAAc 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAc 235 " --> pdb=" O THRAc 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAc 243 " --> pdb=" O GLYAc 233 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYAc 233 " --> pdb=" O ARGAc 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAc 245 " --> pdb=" O ALAAc 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAc 231 " --> pdb=" O TYRAc 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAc 247 " --> pdb=" O ASPAc 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAc 229 " --> pdb=" O GLNAc 247 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRAc 249 " --> pdb=" O GLYAc 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAc 38 " --> pdb=" O LEUAc 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAc 226 " --> pdb=" O ASPAc 38 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'A6' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEA6 204 " --> pdb=" O TYRA6 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALA6 171 " --> pdb=" O ILEA6 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAA6 206 " --> pdb=" O VALA6 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUA6 173 " --> pdb=" O ALAA6 206 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain 'A6' and resid 185 through 186 Processing sheet with id=AC7, first strand: chain 'A7' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPA7 38 " --> pdb=" O LEUA7 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUA7 226 " --> pdb=" O ASPA7 38 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRA7 249 " --> pdb=" O GLYA7 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPA7 229 " --> pdb=" O GLNA7 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNA7 247 " --> pdb=" O ASPA7 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAA7 231 " --> pdb=" O TYRA7 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRA7 245 " --> pdb=" O ALAA7 231 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYA7 233 " --> pdb=" O ARGA7 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGA7 243 " --> pdb=" O GLYA7 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAA7 235 " --> pdb=" O THRA7 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRA7 241 " --> pdb=" O ALAA7 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAY 54 " --> pdb=" O ALAAY 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAY 73 " --> pdb=" O THRAY 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAY 52 " --> pdb=" O LYSAY 73 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'A7' and resid 49 through 57 removed outlier: 7.318A pdb=" N THRA7 52 " --> pdb=" O LYSA7 73 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSA7 73 " --> pdb=" O THRA7 52 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGA7 54 " --> pdb=" O ALAA7 71 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAY 241 " --> pdb=" O ALAAY 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAY 235 " --> pdb=" O THRAY 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAY 243 " --> pdb=" O GLYAY 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAY 233 " --> pdb=" O ARGAY 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAY 245 " --> pdb=" O ALAAY 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAY 231 " --> pdb=" O TYRAY 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAY 247 " --> pdb=" O ASPAY 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAY 229 " --> pdb=" O GLNAY 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAY 249 " --> pdb=" O GLYAY 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAY 38 " --> pdb=" O LEUAY 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAY 226 " --> pdb=" O ASPAY 38 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'A7' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEA7 204 " --> pdb=" O TYRA7 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALA7 171 " --> pdb=" O ILEA7 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAA7 206 " --> pdb=" O VALA7 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUA7 173 " --> pdb=" O ALAA7 206 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'A7' and resid 185 through 186 Processing sheet with id=AD2, first strand: chain 'A8' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPA8 38 " --> pdb=" O LEUA8 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUA8 226 " --> pdb=" O ASPA8 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRA8 249 " --> pdb=" O GLYA8 227 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPA8 229 " --> pdb=" O GLNA8 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNA8 247 " --> pdb=" O ASPA8 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAA8 231 " --> pdb=" O TYRA8 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRA8 245 " --> pdb=" O ALAA8 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYA8 233 " --> pdb=" O ARGA8 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGA8 243 " --> pdb=" O GLYA8 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAA8 235 " --> pdb=" O THRA8 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRA8 241 " --> pdb=" O ALAA8 235 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAI 54 " --> pdb=" O ALAAI 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAI 73 " --> pdb=" O THRAI 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAI 52 " --> pdb=" O LYSAI 73 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'A8' and resid 49 through 57 removed outlier: 7.318A pdb=" N THRA8 52 " --> pdb=" O LYSA8 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSA8 73 " --> pdb=" O THRA8 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGA8 54 " --> pdb=" O ALAA8 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAI 241 " --> pdb=" O ALAAI 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAI 235 " --> pdb=" O THRAI 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAI 243 " --> pdb=" O GLYAI 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAI 233 " --> pdb=" O ARGAI 243 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAI 245 " --> pdb=" O ALAAI 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAI 231 " --> pdb=" O TYRAI 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAI 247 " --> pdb=" O ASPAI 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAI 229 " --> pdb=" O GLNAI 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAI 249 " --> pdb=" O GLYAI 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAI 38 " --> pdb=" O LEUAI 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAI 226 " --> pdb=" O ASPAI 38 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'A8' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEA8 204 " --> pdb=" O TYRA8 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALA8 171 " --> pdb=" O ILEA8 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAA8 206 " --> pdb=" O VALA8 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUA8 173 " --> pdb=" O ALAA8 206 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'A8' and resid 185 through 186 Processing sheet with id=AD6, first strand: chain 'A9' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPA9 38 " --> pdb=" O LEUA9 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUA9 226 " --> pdb=" O ASPA9 38 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRA9 249 " --> pdb=" O GLYA9 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPA9 229 " --> pdb=" O GLNA9 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNA9 247 " --> pdb=" O ASPA9 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAA9 231 " --> pdb=" O TYRA9 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRA9 245 " --> pdb=" O ALAA9 231 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYA9 233 " --> pdb=" O ARGA9 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGA9 243 " --> pdb=" O GLYA9 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAA9 235 " --> pdb=" O THRA9 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRA9 241 " --> pdb=" O ALAA9 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAt 54 " --> pdb=" O ALAAt 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAt 73 " --> pdb=" O THRAt 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAt 52 " --> pdb=" O LYSAt 73 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'A9' and resid 49 through 57 removed outlier: 7.318A pdb=" N THRA9 52 " --> pdb=" O LYSA9 73 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSA9 73 " --> pdb=" O THRA9 52 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGA9 54 " --> pdb=" O ALAA9 71 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAt 241 " --> pdb=" O ALAAt 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAt 235 " --> pdb=" O THRAt 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAt 243 " --> pdb=" O GLYAt 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAt 233 " --> pdb=" O ARGAt 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAt 245 " --> pdb=" O ALAAt 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAt 231 " --> pdb=" O TYRAt 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAt 247 " --> pdb=" O ASPAt 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAt 229 " --> pdb=" O GLNAt 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAt 249 " --> pdb=" O GLYAt 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAt 38 " --> pdb=" O LEUAt 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAt 226 " --> pdb=" O ASPAt 38 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'A9' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEA9 204 " --> pdb=" O TYRA9 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALA9 171 " --> pdb=" O ILEA9 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAA9 206 " --> pdb=" O VALA9 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUA9 173 " --> pdb=" O ALAA9 206 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'A9' and resid 185 through 186 Processing sheet with id=AE1, first strand: chain 'AA' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAA 38 " --> pdb=" O LEUAA 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAA 226 " --> pdb=" O ASPAA 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAA 249 " --> pdb=" O GLYAA 227 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAA 229 " --> pdb=" O GLNAA 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAA 247 " --> pdb=" O ASPAA 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAA 231 " --> pdb=" O TYRAA 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAA 245 " --> pdb=" O ALAAA 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAA 233 " --> pdb=" O ARGAA 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAA 243 " --> pdb=" O GLYAA 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAA 235 " --> pdb=" O THRAA 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAA 241 " --> pdb=" O ALAAA 235 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAM 54 " --> pdb=" O ALAAM 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAM 73 " --> pdb=" O THRAM 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAM 52 " --> pdb=" O LYSAM 73 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'AA' and resid 49 through 57 removed outlier: 7.318A pdb=" N THRAA 52 " --> pdb=" O LYSAA 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAA 73 " --> pdb=" O THRAA 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAA 54 " --> pdb=" O ALAAA 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAM 241 " --> pdb=" O ALAAM 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAM 235 " --> pdb=" O THRAM 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAM 243 " --> pdb=" O GLYAM 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAM 233 " --> pdb=" O ARGAM 243 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAM 245 " --> pdb=" O ALAAM 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAM 231 " --> pdb=" O TYRAM 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAM 247 " --> pdb=" O ASPAM 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAM 229 " --> pdb=" O GLNAM 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAM 249 " --> pdb=" O GLYAM 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAM 38 " --> pdb=" O LEUAM 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAM 226 " --> pdb=" O ASPAM 38 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'AA' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAA 204 " --> pdb=" O TYRAA 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAA 171 " --> pdb=" O ILEAA 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAA 206 " --> pdb=" O VALAA 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAA 173 " --> pdb=" O ALAAA 206 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'AA' and resid 185 through 186 Processing sheet with id=AE5, first strand: chain 'AB' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAB 38 " --> pdb=" O LEUAB 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAB 226 " --> pdb=" O ASPAB 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAB 249 " --> pdb=" O GLYAB 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAB 229 " --> pdb=" O GLNAB 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAB 247 " --> pdb=" O ASPAB 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAB 231 " --> pdb=" O TYRAB 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAB 245 " --> pdb=" O ALAAB 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAB 233 " --> pdb=" O ARGAB 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAB 243 " --> pdb=" O GLYAB 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAB 235 " --> pdb=" O THRAB 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAB 241 " --> pdb=" O ALAAB 235 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGAT 54 " --> pdb=" O ALAAT 71 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSAT 73 " --> pdb=" O THRAT 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAT 52 " --> pdb=" O LYSAT 73 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'AB' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAB 52 " --> pdb=" O LYSAB 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAB 73 " --> pdb=" O THRAB 52 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAB 54 " --> pdb=" O ALAAB 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAT 241 " --> pdb=" O ALAAT 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAT 235 " --> pdb=" O THRAT 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAT 243 " --> pdb=" O GLYAT 233 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYAT 233 " --> pdb=" O ARGAT 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAT 245 " --> pdb=" O ALAAT 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAT 231 " --> pdb=" O TYRAT 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAT 247 " --> pdb=" O ASPAT 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAT 229 " --> pdb=" O GLNAT 247 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRAT 249 " --> pdb=" O GLYAT 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAT 38 " --> pdb=" O LEUAT 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAT 226 " --> pdb=" O ASPAT 38 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'AB' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAB 204 " --> pdb=" O TYRAB 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAB 171 " --> pdb=" O ILEAB 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAB 206 " --> pdb=" O VALAB 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAB 173 " --> pdb=" O ALAAB 206 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'AB' and resid 185 through 186 Processing sheet with id=AE9, first strand: chain 'AC' and resid 38 through 39 removed outlier: 6.293A pdb=" N ASPAC 38 " --> pdb=" O LEUAC 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAC 226 " --> pdb=" O ASPAC 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAC 249 " --> pdb=" O GLYAC 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAC 229 " --> pdb=" O GLNAC 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAC 247 " --> pdb=" O ASPAC 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAC 231 " --> pdb=" O TYRAC 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAC 245 " --> pdb=" O ALAAC 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAC 233 " --> pdb=" O ARGAC 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAC 243 " --> pdb=" O GLYAC 233 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAC 235 " --> pdb=" O THRAC 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAC 241 " --> pdb=" O ALAAC 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAx 54 " --> pdb=" O ALAAx 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAx 73 " --> pdb=" O THRAx 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAx 52 " --> pdb=" O LYSAx 73 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'AC' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAC 52 " --> pdb=" O LYSAC 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAC 73 " --> pdb=" O THRAC 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAC 54 " --> pdb=" O ALAAC 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAx 241 " --> pdb=" O ALAAx 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAx 235 " --> pdb=" O THRAx 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAx 243 " --> pdb=" O GLYAx 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAx 233 " --> pdb=" O ARGAx 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAx 245 " --> pdb=" O ALAAx 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAx 231 " --> pdb=" O TYRAx 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAx 247 " --> pdb=" O ASPAx 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAx 229 " --> pdb=" O GLNAx 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAx 249 " --> pdb=" O GLYAx 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAx 38 " --> pdb=" O LEUAx 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAx 226 " --> pdb=" O ASPAx 38 " (cutoff:3.500A) Processing sheet with id=AF2, first strand: chain 'AC' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAC 204 " --> pdb=" O TYRAC 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAC 171 " --> pdb=" O ILEAC 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAC 206 " --> pdb=" O VALAC 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAC 173 " --> pdb=" O ALAAC 206 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'AC' and resid 185 through 186 Processing sheet with id=AF4, first strand: chain 'AD' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAD 38 " --> pdb=" O LEUAD 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAD 226 " --> pdb=" O ASPAD 38 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRAD 249 " --> pdb=" O GLYAD 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAD 229 " --> pdb=" O GLNAD 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAD 247 " --> pdb=" O ASPAD 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAD 231 " --> pdb=" O TYRAD 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAD 245 " --> pdb=" O ALAAD 231 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYAD 233 " --> pdb=" O ARGAD 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAD 243 " --> pdb=" O GLYAD 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAD 235 " --> pdb=" O THRAD 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAD 241 " --> pdb=" O ALAAD 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAk 54 " --> pdb=" O ALAAk 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAk 73 " --> pdb=" O THRAk 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAk 52 " --> pdb=" O LYSAk 73 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'AD' and resid 49 through 57 removed outlier: 7.318A pdb=" N THRAD 52 " --> pdb=" O LYSAD 73 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSAD 73 " --> pdb=" O THRAD 52 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGAD 54 " --> pdb=" O ALAAD 71 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAk 241 " --> pdb=" O ALAAk 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAk 235 " --> pdb=" O THRAk 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAk 243 " --> pdb=" O GLYAk 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAk 233 " --> pdb=" O ARGAk 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAk 245 " --> pdb=" O ALAAk 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAk 231 " --> pdb=" O TYRAk 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAk 247 " --> pdb=" O ASPAk 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAk 229 " --> pdb=" O GLNAk 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAk 249 " --> pdb=" O GLYAk 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAk 38 " --> pdb=" O LEUAk 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAk 226 " --> pdb=" O ASPAk 38 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'AD' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAD 204 " --> pdb=" O TYRAD 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAD 171 " --> pdb=" O ILEAD 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAD 206 " --> pdb=" O VALAD 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAD 173 " --> pdb=" O ALAAD 206 " (cutoff:3.500A) Processing sheet with id=AF7, first strand: chain 'AD' and resid 185 through 186 Processing sheet with id=AF8, first strand: chain 'AE' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAE 38 " --> pdb=" O LEUAE 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAE 226 " --> pdb=" O ASPAE 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAE 249 " --> pdb=" O GLYAE 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAE 229 " --> pdb=" O GLNAE 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAE 247 " --> pdb=" O ASPAE 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAE 231 " --> pdb=" O TYRAE 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAE 245 " --> pdb=" O ALAAE 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAE 233 " --> pdb=" O ARGAE 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAE 243 " --> pdb=" O GLYAE 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAE 235 " --> pdb=" O THRAE 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAE 241 " --> pdb=" O ALAAE 235 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGAF 54 " --> pdb=" O ALAAF 71 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSAF 73 " --> pdb=" O THRAF 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAF 52 " --> pdb=" O LYSAF 73 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'AE' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAE 52 " --> pdb=" O LYSAE 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAE 73 " --> pdb=" O THRAE 52 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAE 54 " --> pdb=" O ALAAE 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAF 241 " --> pdb=" O ALAAF 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAF 235 " --> pdb=" O THRAF 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAF 243 " --> pdb=" O GLYAF 233 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYAF 233 " --> pdb=" O ARGAF 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAF 245 " --> pdb=" O ALAAF 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAF 231 " --> pdb=" O TYRAF 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAF 247 " --> pdb=" O ASPAF 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAF 229 " --> pdb=" O GLNAF 247 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRAF 249 " --> pdb=" O GLYAF 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAF 38 " --> pdb=" O LEUAF 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAF 226 " --> pdb=" O ASPAF 38 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'AE' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAE 204 " --> pdb=" O TYRAE 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAE 171 " --> pdb=" O ILEAE 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAE 206 " --> pdb=" O VALAE 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAE 173 " --> pdb=" O ALAAE 206 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'AE' and resid 185 through 186 Processing sheet with id=AG3, first strand: chain 'AF' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAF 204 " --> pdb=" O TYRAF 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAF 171 " --> pdb=" O ILEAF 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAF 206 " --> pdb=" O VALAF 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAF 173 " --> pdb=" O ALAAF 206 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain 'AF' and resid 185 through 186 Processing sheet with id=AG5, first strand: chain 'AG' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAG 38 " --> pdb=" O LEUAG 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAG 226 " --> pdb=" O ASPAG 38 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRAG 249 " --> pdb=" O GLYAG 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAG 229 " --> pdb=" O GLNAG 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAG 247 " --> pdb=" O ASPAG 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAG 231 " --> pdb=" O TYRAG 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAG 245 " --> pdb=" O ALAAG 231 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYAG 233 " --> pdb=" O ARGAG 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAG 243 " --> pdb=" O GLYAG 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAG 235 " --> pdb=" O THRAG 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAG 241 " --> pdb=" O ALAAG 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAO 54 " --> pdb=" O ALAAO 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAO 73 " --> pdb=" O THRAO 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAO 52 " --> pdb=" O LYSAO 73 " (cutoff:3.500A) Processing sheet with id=AG6, first strand: chain 'AG' and resid 49 through 57 removed outlier: 7.318A pdb=" N THRAG 52 " --> pdb=" O LYSAG 73 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSAG 73 " --> pdb=" O THRAG 52 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGAG 54 " --> pdb=" O ALAAG 71 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAO 241 " --> pdb=" O ALAAO 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAO 235 " --> pdb=" O THRAO 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAO 243 " --> pdb=" O GLYAO 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAO 233 " --> pdb=" O ARGAO 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAO 245 " --> pdb=" O ALAAO 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAO 231 " --> pdb=" O TYRAO 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAO 247 " --> pdb=" O ASPAO 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAO 229 " --> pdb=" O GLNAO 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAO 249 " --> pdb=" O GLYAO 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAO 38 " --> pdb=" O LEUAO 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAO 226 " --> pdb=" O ASPAO 38 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain 'AG' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAG 204 " --> pdb=" O TYRAG 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAG 171 " --> pdb=" O ILEAG 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAG 206 " --> pdb=" O VALAG 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAG 173 " --> pdb=" O ALAAG 206 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain 'AG' and resid 185 through 186 Processing sheet with id=AG9, first strand: chain 'AH' and resid 38 through 39 removed outlier: 6.293A pdb=" N ASPAH 38 " --> pdb=" O LEUAH 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAH 226 " --> pdb=" O ASPAH 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAH 249 " --> pdb=" O GLYAH 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAH 229 " --> pdb=" O GLNAH 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAH 247 " --> pdb=" O ASPAH 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAH 231 " --> pdb=" O TYRAH 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAH 245 " --> pdb=" O ALAAH 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAH 233 " --> pdb=" O ARGAH 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAH 243 " --> pdb=" O GLYAH 233 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAH 235 " --> pdb=" O THRAH 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAH 241 " --> pdb=" O ALAAH 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAX 54 " --> pdb=" O ALAAX 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAX 73 " --> pdb=" O THRAX 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAX 52 " --> pdb=" O LYSAX 73 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'AH' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAH 52 " --> pdb=" O LYSAH 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAH 73 " --> pdb=" O THRAH 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAH 54 " --> pdb=" O ALAAH 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAX 241 " --> pdb=" O ALAAX 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAX 235 " --> pdb=" O THRAX 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAX 243 " --> pdb=" O GLYAX 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAX 233 " --> pdb=" O ARGAX 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAX 245 " --> pdb=" O ALAAX 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAX 231 " --> pdb=" O TYRAX 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAX 247 " --> pdb=" O ASPAX 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAX 229 " --> pdb=" O GLNAX 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAX 249 " --> pdb=" O GLYAX 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAX 38 " --> pdb=" O LEUAX 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAX 226 " --> pdb=" O ASPAX 38 " (cutoff:3.500A) Processing sheet with id=AH2, first strand: chain 'AH' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAH 204 " --> pdb=" O TYRAH 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAH 171 " --> pdb=" O ILEAH 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAH 206 " --> pdb=" O VALAH 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAH 173 " --> pdb=" O ALAAH 206 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain 'AH' and resid 185 through 186 Processing sheet with id=AH4, first strand: chain 'AI' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAI 204 " --> pdb=" O TYRAI 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAI 171 " --> pdb=" O ILEAI 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAI 206 " --> pdb=" O VALAI 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAI 173 " --> pdb=" O ALAAI 206 " (cutoff:3.500A) Processing sheet with id=AH5, first strand: chain 'AI' and resid 185 through 186 Processing sheet with id=AH6, first strand: chain 'AJ' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAJ 38 " --> pdb=" O LEUAJ 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAJ 226 " --> pdb=" O ASPAJ 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAJ 249 " --> pdb=" O GLYAJ 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAJ 229 " --> pdb=" O GLNAJ 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAJ 247 " --> pdb=" O ASPAJ 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAJ 231 " --> pdb=" O TYRAJ 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAJ 245 " --> pdb=" O ALAAJ 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAJ 233 " --> pdb=" O ARGAJ 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAJ 243 " --> pdb=" O GLYAJ 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAJ 235 " --> pdb=" O THRAJ 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAJ 241 " --> pdb=" O ALAAJ 235 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGAq 54 " --> pdb=" O ALAAq 71 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSAq 73 " --> pdb=" O THRAq 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAq 52 " --> pdb=" O LYSAq 73 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'AJ' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAJ 52 " --> pdb=" O LYSAJ 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAJ 73 " --> pdb=" O THRAJ 52 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAJ 54 " --> pdb=" O ALAAJ 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAq 241 " --> pdb=" O ALAAq 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAq 235 " --> pdb=" O THRAq 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAq 243 " --> pdb=" O GLYAq 233 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYAq 233 " --> pdb=" O ARGAq 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAq 245 " --> pdb=" O ALAAq 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAq 231 " --> pdb=" O TYRAq 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAq 247 " --> pdb=" O ASPAq 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAq 229 " --> pdb=" O GLNAq 247 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRAq 249 " --> pdb=" O GLYAq 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAq 38 " --> pdb=" O LEUAq 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAq 226 " --> pdb=" O ASPAq 38 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain 'AJ' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAJ 204 " --> pdb=" O TYRAJ 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAJ 171 " --> pdb=" O ILEAJ 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAJ 206 " --> pdb=" O VALAJ 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAJ 173 " --> pdb=" O ALAAJ 206 " (cutoff:3.500A) Processing sheet with id=AH9, first strand: chain 'AJ' and resid 185 through 186 Processing sheet with id=AI1, first strand: chain 'AK' and resid 38 through 39 removed outlier: 6.293A pdb=" N ASPAK 38 " --> pdb=" O LEUAK 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAK 226 " --> pdb=" O ASPAK 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAK 249 " --> pdb=" O GLYAK 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAK 229 " --> pdb=" O GLNAK 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAK 247 " --> pdb=" O ASPAK 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAK 231 " --> pdb=" O TYRAK 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAK 245 " --> pdb=" O ALAAK 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAK 233 " --> pdb=" O ARGAK 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAK 243 " --> pdb=" O GLYAK 233 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAK 235 " --> pdb=" O THRAK 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAK 241 " --> pdb=" O ALAAK 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAj 54 " --> pdb=" O ALAAj 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAj 73 " --> pdb=" O THRAj 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAj 52 " --> pdb=" O LYSAj 73 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'AK' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAK 52 " --> pdb=" O LYSAK 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAK 73 " --> pdb=" O THRAK 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAK 54 " --> pdb=" O ALAAK 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAj 241 " --> pdb=" O ALAAj 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAj 235 " --> pdb=" O THRAj 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAj 243 " --> pdb=" O GLYAj 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAj 233 " --> pdb=" O ARGAj 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAj 245 " --> pdb=" O ALAAj 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAj 231 " --> pdb=" O TYRAj 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAj 247 " --> pdb=" O ASPAj 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAj 229 " --> pdb=" O GLNAj 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAj 249 " --> pdb=" O GLYAj 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAj 38 " --> pdb=" O LEUAj 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAj 226 " --> pdb=" O ASPAj 38 " (cutoff:3.500A) Processing sheet with id=AI3, first strand: chain 'AK' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAK 204 " --> pdb=" O TYRAK 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAK 171 " --> pdb=" O ILEAK 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAK 206 " --> pdb=" O VALAK 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAK 173 " --> pdb=" O ALAAK 206 " (cutoff:3.500A) Processing sheet with id=AI4, first strand: chain 'AK' and resid 185 through 186 Processing sheet with id=AI5, first strand: chain 'AL' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAL 204 " --> pdb=" O TYRAL 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAL 171 " --> pdb=" O ILEAL 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAL 206 " --> pdb=" O VALAL 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAL 173 " --> pdb=" O ALAAL 206 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'AL' and resid 185 through 186 Processing sheet with id=AI7, first strand: chain 'AM' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAM 204 " --> pdb=" O TYRAM 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAM 171 " --> pdb=" O ILEAM 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAM 206 " --> pdb=" O VALAM 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAM 173 " --> pdb=" O ALAAM 206 " (cutoff:3.500A) Processing sheet with id=AI8, first strand: chain 'AM' and resid 185 through 186 Processing sheet with id=AI9, first strand: chain 'AN' and resid 38 through 39 removed outlier: 6.293A pdb=" N ASPAN 38 " --> pdb=" O LEUAN 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAN 226 " --> pdb=" O ASPAN 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAN 249 " --> pdb=" O GLYAN 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAN 229 " --> pdb=" O GLNAN 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAN 247 " --> pdb=" O ASPAN 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAN 231 " --> pdb=" O TYRAN 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAN 245 " --> pdb=" O ALAAN 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAN 233 " --> pdb=" O ARGAN 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAN 243 " --> pdb=" O GLYAN 233 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAN 235 " --> pdb=" O THRAN 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAN 241 " --> pdb=" O ALAAN 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAp 54 " --> pdb=" O ALAAp 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAp 73 " --> pdb=" O THRAp 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAp 52 " --> pdb=" O LYSAp 73 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'AN' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAN 52 " --> pdb=" O LYSAN 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAN 73 " --> pdb=" O THRAN 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAN 54 " --> pdb=" O ALAAN 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAp 241 " --> pdb=" O ALAAp 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAp 235 " --> pdb=" O THRAp 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAp 243 " --> pdb=" O GLYAp 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAp 233 " --> pdb=" O ARGAp 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAp 245 " --> pdb=" O ALAAp 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAp 231 " --> pdb=" O TYRAp 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAp 247 " --> pdb=" O ASPAp 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAp 229 " --> pdb=" O GLNAp 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAp 249 " --> pdb=" O GLYAp 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAp 38 " --> pdb=" O LEUAp 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAp 226 " --> pdb=" O ASPAp 38 " (cutoff:3.500A) Processing sheet with id=AJ2, first strand: chain 'AN' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAN 204 " --> pdb=" O TYRAN 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAN 171 " --> pdb=" O ILEAN 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAN 206 " --> pdb=" O VALAN 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAN 173 " --> pdb=" O ALAAN 206 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'AN' and resid 185 through 186 Processing sheet with id=AJ4, first strand: chain 'AO' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAO 204 " --> pdb=" O TYRAO 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAO 171 " --> pdb=" O ILEAO 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAO 206 " --> pdb=" O VALAO 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAO 173 " --> pdb=" O ALAAO 206 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'AO' and resid 185 through 186 Processing sheet with id=AJ6, first strand: chain 'AP' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAP 204 " --> pdb=" O TYRAP 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAP 171 " --> pdb=" O ILEAP 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAP 206 " --> pdb=" O VALAP 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAP 173 " --> pdb=" O ALAAP 206 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain 'AP' and resid 185 through 186 Processing sheet with id=AJ8, first strand: chain 'AQ' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAQ 38 " --> pdb=" O LEUAQ 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAQ 226 " --> pdb=" O ASPAQ 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAQ 249 " --> pdb=" O GLYAQ 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAQ 229 " --> pdb=" O GLNAQ 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAQ 247 " --> pdb=" O ASPAQ 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAQ 231 " --> pdb=" O TYRAQ 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAQ 245 " --> pdb=" O ALAAQ 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAQ 233 " --> pdb=" O ARGAQ 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAQ 243 " --> pdb=" O GLYAQ 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAQ 235 " --> pdb=" O THRAQ 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAQ 241 " --> pdb=" O ALAAQ 235 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGAw 54 " --> pdb=" O ALAAw 71 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSAw 73 " --> pdb=" O THRAw 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAw 52 " --> pdb=" O LYSAw 73 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'AQ' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAQ 52 " --> pdb=" O LYSAQ 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAQ 73 " --> pdb=" O THRAQ 52 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAQ 54 " --> pdb=" O ALAAQ 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAw 241 " --> pdb=" O ALAAw 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAw 235 " --> pdb=" O THRAw 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAw 243 " --> pdb=" O GLYAw 233 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYAw 233 " --> pdb=" O ARGAw 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAw 245 " --> pdb=" O ALAAw 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAw 231 " --> pdb=" O TYRAw 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAw 247 " --> pdb=" O ASPAw 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAw 229 " --> pdb=" O GLNAw 247 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRAw 249 " --> pdb=" O GLYAw 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAw 38 " --> pdb=" O LEUAw 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAw 226 " --> pdb=" O ASPAw 38 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain 'AQ' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAQ 204 " --> pdb=" O TYRAQ 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAQ 171 " --> pdb=" O ILEAQ 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAQ 206 " --> pdb=" O VALAQ 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAQ 173 " --> pdb=" O ALAAQ 206 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'AQ' and resid 185 through 186 Processing sheet with id=AK3, first strand: chain 'AR' and resid 38 through 39 removed outlier: 6.293A pdb=" N ASPAR 38 " --> pdb=" O LEUAR 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAR 226 " --> pdb=" O ASPAR 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAR 249 " --> pdb=" O GLYAR 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAR 229 " --> pdb=" O GLNAR 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAR 247 " --> pdb=" O ASPAR 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAR 231 " --> pdb=" O TYRAR 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAR 245 " --> pdb=" O ALAAR 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAR 233 " --> pdb=" O ARGAR 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAR 243 " --> pdb=" O GLYAR 233 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAR 235 " --> pdb=" O THRAR 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAR 241 " --> pdb=" O ALAAR 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAv 54 " --> pdb=" O ALAAv 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAv 73 " --> pdb=" O THRAv 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAv 52 " --> pdb=" O LYSAv 73 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'AR' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAR 52 " --> pdb=" O LYSAR 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAR 73 " --> pdb=" O THRAR 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAR 54 " --> pdb=" O ALAAR 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAv 241 " --> pdb=" O ALAAv 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAv 235 " --> pdb=" O THRAv 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAv 243 " --> pdb=" O GLYAv 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAv 233 " --> pdb=" O ARGAv 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAv 245 " --> pdb=" O ALAAv 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAv 231 " --> pdb=" O TYRAv 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAv 247 " --> pdb=" O ASPAv 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAv 229 " --> pdb=" O GLNAv 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAv 249 " --> pdb=" O GLYAv 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAv 38 " --> pdb=" O LEUAv 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAv 226 " --> pdb=" O ASPAv 38 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'AR' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAR 204 " --> pdb=" O TYRAR 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAR 171 " --> pdb=" O ILEAR 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAR 206 " --> pdb=" O VALAR 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAR 173 " --> pdb=" O ALAAR 206 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain 'AR' and resid 185 through 186 Processing sheet with id=AK7, first strand: chain 'AS' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAS 38 " --> pdb=" O LEUAS 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAS 226 " --> pdb=" O ASPAS 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAS 249 " --> pdb=" O GLYAS 227 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAS 229 " --> pdb=" O GLNAS 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAS 247 " --> pdb=" O ASPAS 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAS 231 " --> pdb=" O TYRAS 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAS 245 " --> pdb=" O ALAAS 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAS 233 " --> pdb=" O ARGAS 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAS 243 " --> pdb=" O GLYAS 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAS 235 " --> pdb=" O THRAS 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAS 241 " --> pdb=" O ALAAS 235 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAi 54 " --> pdb=" O ALAAi 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAi 73 " --> pdb=" O THRAi 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAi 52 " --> pdb=" O LYSAi 73 " (cutoff:3.500A) Processing sheet with id=AK8, first strand: chain 'AS' and resid 49 through 57 removed outlier: 7.318A pdb=" N THRAS 52 " --> pdb=" O LYSAS 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAS 73 " --> pdb=" O THRAS 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAS 54 " --> pdb=" O ALAAS 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAi 241 " --> pdb=" O ALAAi 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAi 235 " --> pdb=" O THRAi 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAi 243 " --> pdb=" O GLYAi 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAi 233 " --> pdb=" O ARGAi 243 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAi 245 " --> pdb=" O ALAAi 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAi 231 " --> pdb=" O TYRAi 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAi 247 " --> pdb=" O ASPAi 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAi 229 " --> pdb=" O GLNAi 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAi 249 " --> pdb=" O GLYAi 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAi 38 " --> pdb=" O LEUAi 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAi 226 " --> pdb=" O ASPAi 38 " (cutoff:3.500A) Processing sheet with id=AK9, first strand: chain 'AS' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAS 204 " --> pdb=" O TYRAS 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAS 171 " --> pdb=" O ILEAS 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAS 206 " --> pdb=" O VALAS 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAS 173 " --> pdb=" O ALAAS 206 " (cutoff:3.500A) Processing sheet with id=AL1, first strand: chain 'AS' and resid 185 through 186 Processing sheet with id=AL2, first strand: chain 'AT' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAT 204 " --> pdb=" O TYRAT 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAT 171 " --> pdb=" O ILEAT 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAT 206 " --> pdb=" O VALAT 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAT 173 " --> pdb=" O ALAAT 206 " (cutoff:3.500A) Processing sheet with id=AL3, first strand: chain 'AT' and resid 185 through 186 Processing sheet with id=AL4, first strand: chain 'AU' and resid 38 through 39 removed outlier: 6.293A pdb=" N ASPAU 38 " --> pdb=" O LEUAU 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAU 226 " --> pdb=" O ASPAU 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAU 249 " --> pdb=" O GLYAU 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAU 229 " --> pdb=" O GLNAU 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAU 247 " --> pdb=" O ASPAU 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAU 231 " --> pdb=" O TYRAU 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAU 245 " --> pdb=" O ALAAU 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAU 233 " --> pdb=" O ARGAU 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAU 243 " --> pdb=" O GLYAU 233 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAU 235 " --> pdb=" O THRAU 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAU 241 " --> pdb=" O ALAAU 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAV 54 " --> pdb=" O ALAAV 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAV 73 " --> pdb=" O THRAV 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAV 52 " --> pdb=" O LYSAV 73 " (cutoff:3.500A) Processing sheet with id=AL5, first strand: chain 'AU' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAU 52 " --> pdb=" O LYSAU 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAU 73 " --> pdb=" O THRAU 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAU 54 " --> pdb=" O ALAAU 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAV 241 " --> pdb=" O ALAAV 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAV 235 " --> pdb=" O THRAV 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAV 243 " --> pdb=" O GLYAV 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAV 233 " --> pdb=" O ARGAV 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAV 245 " --> pdb=" O ALAAV 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAV 231 " --> pdb=" O TYRAV 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAV 247 " --> pdb=" O ASPAV 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAV 229 " --> pdb=" O GLNAV 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAV 249 " --> pdb=" O GLYAV 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAV 38 " --> pdb=" O LEUAV 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAV 226 " --> pdb=" O ASPAV 38 " (cutoff:3.500A) Processing sheet with id=AL6, first strand: chain 'AU' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAU 204 " --> pdb=" O TYRAU 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAU 171 " --> pdb=" O ILEAU 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAU 206 " --> pdb=" O VALAU 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAU 173 " --> pdb=" O ALAAU 206 " (cutoff:3.500A) Processing sheet with id=AL7, first strand: chain 'AU' and resid 185 through 186 Processing sheet with id=AL8, first strand: chain 'AV' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAV 204 " --> pdb=" O TYRAV 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAV 171 " --> pdb=" O ILEAV 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAV 206 " --> pdb=" O VALAV 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAV 173 " --> pdb=" O ALAAV 206 " (cutoff:3.500A) Processing sheet with id=AL9, first strand: chain 'AV' and resid 185 through 186 Processing sheet with id=AM1, first strand: chain 'AW' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAW 38 " --> pdb=" O LEUAW 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAW 226 " --> pdb=" O ASPAW 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAW 249 " --> pdb=" O GLYAW 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAW 229 " --> pdb=" O GLNAW 247 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAW 247 " --> pdb=" O ASPAW 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAW 231 " --> pdb=" O TYRAW 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAW 245 " --> pdb=" O ALAAW 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAW 233 " --> pdb=" O ARGAW 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAW 243 " --> pdb=" O GLYAW 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAW 235 " --> pdb=" O THRAW 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAW 241 " --> pdb=" O ALAAW 235 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARGAb 54 " --> pdb=" O ALAAb 71 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N LYSAb 73 " --> pdb=" O THRAb 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAb 52 " --> pdb=" O LYSAb 73 " (cutoff:3.500A) Processing sheet with id=AM2, first strand: chain 'AW' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAW 52 " --> pdb=" O LYSAW 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAW 73 " --> pdb=" O THRAW 52 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAW 54 " --> pdb=" O ALAAW 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAb 241 " --> pdb=" O ALAAb 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAb 235 " --> pdb=" O THRAb 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAb 243 " --> pdb=" O GLYAb 233 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N GLYAb 233 " --> pdb=" O ARGAb 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAb 245 " --> pdb=" O ALAAb 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAb 231 " --> pdb=" O TYRAb 245 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLNAb 247 " --> pdb=" O ASPAb 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAb 229 " --> pdb=" O GLNAb 247 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N THRAb 249 " --> pdb=" O GLYAb 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAb 38 " --> pdb=" O LEUAb 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAb 226 " --> pdb=" O ASPAb 38 " (cutoff:3.500A) Processing sheet with id=AM3, first strand: chain 'AW' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAW 204 " --> pdb=" O TYRAW 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAW 171 " --> pdb=" O ILEAW 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAW 206 " --> pdb=" O VALAW 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAW 173 " --> pdb=" O ALAAW 206 " (cutoff:3.500A) Processing sheet with id=AM4, first strand: chain 'AW' and resid 185 through 186 Processing sheet with id=AM5, first strand: chain 'AX' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAX 204 " --> pdb=" O TYRAX 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAX 171 " --> pdb=" O ILEAX 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAX 206 " --> pdb=" O VALAX 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAX 173 " --> pdb=" O ALAAX 206 " (cutoff:3.500A) Processing sheet with id=AM6, first strand: chain 'AX' and resid 185 through 186 Processing sheet with id=AM7, first strand: chain 'AY' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAY 204 " --> pdb=" O TYRAY 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAY 171 " --> pdb=" O ILEAY 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAY 206 " --> pdb=" O VALAY 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAY 173 " --> pdb=" O ALAAY 206 " (cutoff:3.500A) Processing sheet with id=AM8, first strand: chain 'AY' and resid 185 through 186 Processing sheet with id=AM9, first strand: chain 'AZ' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAZ 38 " --> pdb=" O LEUAZ 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAZ 226 " --> pdb=" O ASPAZ 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAZ 249 " --> pdb=" O GLYAZ 227 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAZ 229 " --> pdb=" O GLNAZ 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAZ 247 " --> pdb=" O ASPAZ 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAZ 231 " --> pdb=" O TYRAZ 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAZ 245 " --> pdb=" O ALAAZ 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAZ 233 " --> pdb=" O ARGAZ 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAZ 243 " --> pdb=" O GLYAZ 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAZ 235 " --> pdb=" O THRAZ 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAZ 241 " --> pdb=" O ALAAZ 235 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAl 54 " --> pdb=" O ALAAl 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAl 73 " --> pdb=" O THRAl 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAl 52 " --> pdb=" O LYSAl 73 " (cutoff:3.500A) Processing sheet with id=AN1, first strand: chain 'AZ' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAZ 52 " --> pdb=" O LYSAZ 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAZ 73 " --> pdb=" O THRAZ 52 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAZ 54 " --> pdb=" O ALAAZ 71 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAl 241 " --> pdb=" O ALAAl 235 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAl 235 " --> pdb=" O THRAl 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAl 243 " --> pdb=" O GLYAl 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAl 233 " --> pdb=" O ARGAl 243 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAl 245 " --> pdb=" O ALAAl 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAl 231 " --> pdb=" O TYRAl 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAl 247 " --> pdb=" O ASPAl 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAl 229 " --> pdb=" O GLNAl 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAl 249 " --> pdb=" O GLYAl 227 " (cutoff:3.500A) removed outlier: 6.293A pdb=" N ASPAl 38 " --> pdb=" O LEUAl 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAl 226 " --> pdb=" O ASPAl 38 " (cutoff:3.500A) Processing sheet with id=AN2, first strand: chain 'AZ' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAZ 204 " --> pdb=" O TYRAZ 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAZ 171 " --> pdb=" O ILEAZ 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAZ 206 " --> pdb=" O VALAZ 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAZ 173 " --> pdb=" O ALAAZ 206 " (cutoff:3.500A) Processing sheet with id=AN3, first strand: chain 'AZ' and resid 185 through 186 Processing sheet with id=AN4, first strand: chain 'Aa' and resid 38 through 39 removed outlier: 6.293A pdb=" N ASPAa 38 " --> pdb=" O LEUAa 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAa 226 " --> pdb=" O ASPAa 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAa 249 " --> pdb=" O GLYAa 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAa 229 " --> pdb=" O GLNAa 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAa 247 " --> pdb=" O ASPAa 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAa 231 " --> pdb=" O TYRAa 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAa 245 " --> pdb=" O ALAAa 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAa 233 " --> pdb=" O ARGAa 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAa 243 " --> pdb=" O GLYAa 233 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAa 235 " --> pdb=" O THRAa 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAa 241 " --> pdb=" O ALAAa 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAf 54 " --> pdb=" O ALAAf 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAf 73 " --> pdb=" O THRAf 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAf 52 " --> pdb=" O LYSAf 73 " (cutoff:3.500A) Processing sheet with id=AN5, first strand: chain 'Aa' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAa 52 " --> pdb=" O LYSAa 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAa 73 " --> pdb=" O THRAa 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAa 54 " --> pdb=" O ALAAa 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAf 241 " --> pdb=" O ALAAf 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAf 235 " --> pdb=" O THRAf 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAf 243 " --> pdb=" O GLYAf 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAf 233 " --> pdb=" O ARGAf 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAf 245 " --> pdb=" O ALAAf 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAf 231 " --> pdb=" O TYRAf 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAf 247 " --> pdb=" O ASPAf 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAf 229 " --> pdb=" O GLNAf 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAf 249 " --> pdb=" O GLYAf 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAf 38 " --> pdb=" O LEUAf 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAf 226 " --> pdb=" O ASPAf 38 " (cutoff:3.500A) Processing sheet with id=AN6, first strand: chain 'Aa' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAa 204 " --> pdb=" O TYRAa 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAa 171 " --> pdb=" O ILEAa 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAa 206 " --> pdb=" O VALAa 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAa 173 " --> pdb=" O ALAAa 206 " (cutoff:3.500A) Processing sheet with id=AN7, first strand: chain 'Aa' and resid 185 through 186 Processing sheet with id=AN8, first strand: chain 'Ab' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAb 204 " --> pdb=" O TYRAb 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAb 171 " --> pdb=" O ILEAb 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAb 206 " --> pdb=" O VALAb 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAb 173 " --> pdb=" O ALAAb 206 " (cutoff:3.500A) Processing sheet with id=AN9, first strand: chain 'Ab' and resid 185 through 186 Processing sheet with id=AO1, first strand: chain 'Ac' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAc 204 " --> pdb=" O TYRAc 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAc 171 " --> pdb=" O ILEAc 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAc 206 " --> pdb=" O VALAc 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAc 173 " --> pdb=" O ALAAc 206 " (cutoff:3.500A) Processing sheet with id=AO2, first strand: chain 'Ac' and resid 185 through 186 Processing sheet with id=AO3, first strand: chain 'Ad' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAd 204 " --> pdb=" O TYRAd 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAd 171 " --> pdb=" O ILEAd 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAd 206 " --> pdb=" O VALAd 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAd 173 " --> pdb=" O ALAAd 206 " (cutoff:3.500A) Processing sheet with id=AO4, first strand: chain 'Ad' and resid 185 through 186 Processing sheet with id=AO5, first strand: chain 'Ae' and resid 38 through 39 removed outlier: 6.293A pdb=" N ASPAe 38 " --> pdb=" O LEUAe 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAe 226 " --> pdb=" O ASPAe 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAe 249 " --> pdb=" O GLYAe 227 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAe 229 " --> pdb=" O GLNAe 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAe 247 " --> pdb=" O ASPAe 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAe 231 " --> pdb=" O TYRAe 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAe 245 " --> pdb=" O ALAAe 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAe 233 " --> pdb=" O ARGAe 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAe 243 " --> pdb=" O GLYAe 233 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAe 235 " --> pdb=" O THRAe 241 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAe 241 " --> pdb=" O ALAAe 235 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAo 54 " --> pdb=" O ALAAo 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAo 73 " --> pdb=" O THRAo 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAo 52 " --> pdb=" O LYSAo 73 " (cutoff:3.500A) Processing sheet with id=AO6, first strand: chain 'Ae' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAe 52 " --> pdb=" O LYSAe 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAe 73 " --> pdb=" O THRAe 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAe 54 " --> pdb=" O ALAAe 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAo 241 " --> pdb=" O ALAAo 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAo 235 " --> pdb=" O THRAo 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAo 243 " --> pdb=" O GLYAo 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAo 233 " --> pdb=" O ARGAo 243 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAo 245 " --> pdb=" O ALAAo 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAo 231 " --> pdb=" O TYRAo 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAo 247 " --> pdb=" O ASPAo 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAo 229 " --> pdb=" O GLNAo 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAo 249 " --> pdb=" O GLYAo 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAo 38 " --> pdb=" O LEUAo 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAo 226 " --> pdb=" O ASPAo 38 " (cutoff:3.500A) Processing sheet with id=AO7, first strand: chain 'Ae' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAe 204 " --> pdb=" O TYRAe 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAe 171 " --> pdb=" O ILEAe 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAe 206 " --> pdb=" O VALAe 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAe 173 " --> pdb=" O ALAAe 206 " (cutoff:3.500A) Processing sheet with id=AO8, first strand: chain 'Ae' and resid 185 through 186 Processing sheet with id=AO9, first strand: chain 'Af' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAf 204 " --> pdb=" O TYRAf 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAf 171 " --> pdb=" O ILEAf 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAf 206 " --> pdb=" O VALAf 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAf 173 " --> pdb=" O ALAAf 206 " (cutoff:3.500A) Processing sheet with id=AP1, first strand: chain 'Af' and resid 185 through 186 Processing sheet with id=AP2, first strand: chain 'Ag' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAg 38 " --> pdb=" O LEUAg 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAg 226 " --> pdb=" O ASPAg 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAg 249 " --> pdb=" O GLYAg 227 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAg 229 " --> pdb=" O GLNAg 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAg 247 " --> pdb=" O ASPAg 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAg 231 " --> pdb=" O TYRAg 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAg 245 " --> pdb=" O ALAAg 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAg 233 " --> pdb=" O ARGAg 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAg 243 " --> pdb=" O GLYAg 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAg 235 " --> pdb=" O THRAg 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAg 241 " --> pdb=" O ALAAg 235 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAr 54 " --> pdb=" O ALAAr 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAr 73 " --> pdb=" O THRAr 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAr 52 " --> pdb=" O LYSAr 73 " (cutoff:3.500A) Processing sheet with id=AP3, first strand: chain 'Ag' and resid 49 through 57 removed outlier: 7.318A pdb=" N THRAg 52 " --> pdb=" O LYSAg 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAg 73 " --> pdb=" O THRAg 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAg 54 " --> pdb=" O ALAAg 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAr 241 " --> pdb=" O ALAAr 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAr 235 " --> pdb=" O THRAr 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAr 243 " --> pdb=" O GLYAr 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAr 233 " --> pdb=" O ARGAr 243 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAr 245 " --> pdb=" O ALAAr 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAr 231 " --> pdb=" O TYRAr 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAr 247 " --> pdb=" O ASPAr 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAr 229 " --> pdb=" O GLNAr 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAr 249 " --> pdb=" O GLYAr 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAr 38 " --> pdb=" O LEUAr 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAr 226 " --> pdb=" O ASPAr 38 " (cutoff:3.500A) Processing sheet with id=AP4, first strand: chain 'Ag' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAg 204 " --> pdb=" O TYRAg 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAg 171 " --> pdb=" O ILEAg 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAg 206 " --> pdb=" O VALAg 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAg 173 " --> pdb=" O ALAAg 206 " (cutoff:3.500A) Processing sheet with id=AP5, first strand: chain 'Ag' and resid 185 through 186 Processing sheet with id=AP6, first strand: chain 'Ah' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAh 38 " --> pdb=" O LEUAh 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAh 226 " --> pdb=" O ASPAh 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAh 249 " --> pdb=" O GLYAh 227 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAh 229 " --> pdb=" O GLNAh 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAh 247 " --> pdb=" O ASPAh 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAh 231 " --> pdb=" O TYRAh 245 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAh 245 " --> pdb=" O ALAAh 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAh 233 " --> pdb=" O ARGAh 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAh 243 " --> pdb=" O GLYAh 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAh 235 " --> pdb=" O THRAh 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAh 241 " --> pdb=" O ALAAh 235 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAm 54 " --> pdb=" O ALAAm 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAm 73 " --> pdb=" O THRAm 52 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N THRAm 52 " --> pdb=" O LYSAm 73 " (cutoff:3.500A) Processing sheet with id=AP7, first strand: chain 'Ah' and resid 49 through 57 removed outlier: 7.318A pdb=" N THRAh 52 " --> pdb=" O LYSAh 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAh 73 " --> pdb=" O THRAh 52 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAh 54 " --> pdb=" O ALAAh 71 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAm 241 " --> pdb=" O ALAAm 235 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAm 235 " --> pdb=" O THRAm 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAm 243 " --> pdb=" O GLYAm 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAm 233 " --> pdb=" O ARGAm 243 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAm 245 " --> pdb=" O ALAAm 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAm 231 " --> pdb=" O TYRAm 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAm 247 " --> pdb=" O ASPAm 229 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAm 229 " --> pdb=" O GLNAm 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAm 249 " --> pdb=" O GLYAm 227 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASPAm 38 " --> pdb=" O LEUAm 224 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N LEUAm 226 " --> pdb=" O ASPAm 38 " (cutoff:3.500A) Processing sheet with id=AP8, first strand: chain 'Ah' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAh 204 " --> pdb=" O TYRAh 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAh 171 " --> pdb=" O ILEAh 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAh 206 " --> pdb=" O VALAh 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAh 173 " --> pdb=" O ALAAh 206 " (cutoff:3.500A) Processing sheet with id=AP9, first strand: chain 'Ah' and resid 185 through 186 Processing sheet with id=AQ1, first strand: chain 'Ai' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAi 204 " --> pdb=" O TYRAi 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAi 171 " --> pdb=" O ILEAi 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAi 206 " --> pdb=" O VALAi 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAi 173 " --> pdb=" O ALAAi 206 " (cutoff:3.500A) Processing sheet with id=AQ2, first strand: chain 'Ai' and resid 185 through 186 Processing sheet with id=AQ3, first strand: chain 'Aj' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAj 204 " --> pdb=" O TYRAj 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAj 171 " --> pdb=" O ILEAj 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAj 206 " --> pdb=" O VALAj 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAj 173 " --> pdb=" O ALAAj 206 " (cutoff:3.500A) Processing sheet with id=AQ4, first strand: chain 'Aj' and resid 185 through 186 Processing sheet with id=AQ5, first strand: chain 'Ak' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAk 204 " --> pdb=" O TYRAk 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAk 171 " --> pdb=" O ILEAk 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAk 206 " --> pdb=" O VALAk 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAk 173 " --> pdb=" O ALAAk 206 " (cutoff:3.500A) Processing sheet with id=AQ6, first strand: chain 'Ak' and resid 185 through 186 Processing sheet with id=AQ7, first strand: chain 'Al' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAl 204 " --> pdb=" O TYRAl 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAl 171 " --> pdb=" O ILEAl 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAl 206 " --> pdb=" O VALAl 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAl 173 " --> pdb=" O ALAAl 206 " (cutoff:3.500A) Processing sheet with id=AQ8, first strand: chain 'Al' and resid 185 through 186 Processing sheet with id=AQ9, first strand: chain 'Am' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAm 204 " --> pdb=" O TYRAm 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAm 171 " --> pdb=" O ILEAm 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAm 206 " --> pdb=" O VALAm 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAm 173 " --> pdb=" O ALAAm 206 " (cutoff:3.500A) Processing sheet with id=AR1, first strand: chain 'Am' and resid 185 through 186 Processing sheet with id=AR2, first strand: chain 'An' and resid 38 through 39 removed outlier: 6.292A pdb=" N ASPAn 38 " --> pdb=" O LEUAn 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAn 226 " --> pdb=" O ASPAn 38 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAn 249 " --> pdb=" O GLYAn 227 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N ASPAn 229 " --> pdb=" O GLNAn 247 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAn 247 " --> pdb=" O ASPAn 229 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAn 231 " --> pdb=" O TYRAn 245 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N TYRAn 245 " --> pdb=" O ALAAn 231 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAn 233 " --> pdb=" O ARGAn 243 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAn 243 " --> pdb=" O GLYAn 233 " (cutoff:3.500A) removed outlier: 9.288A pdb=" N ALAAn 235 " --> pdb=" O THRAn 241 " (cutoff:3.500A) removed outlier: 11.968A pdb=" N THRAn 241 " --> pdb=" O ALAAn 235 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N ARGAy 54 " --> pdb=" O ALAAy 71 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAy 73 " --> pdb=" O THRAy 52 " (cutoff:3.500A) removed outlier: 7.317A pdb=" N THRAy 52 " --> pdb=" O LYSAy 73 " (cutoff:3.500A) Processing sheet with id=AR3, first strand: chain 'An' and resid 49 through 57 removed outlier: 7.317A pdb=" N THRAn 52 " --> pdb=" O LYSAn 73 " (cutoff:3.500A) removed outlier: 8.363A pdb=" N LYSAn 73 " --> pdb=" O THRAn 52 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N ARGAn 54 " --> pdb=" O ALAAn 71 " (cutoff:3.500A) removed outlier: 11.969A pdb=" N THRAy 241 " --> pdb=" O ALAAy 235 " (cutoff:3.500A) removed outlier: 9.287A pdb=" N ALAAy 235 " --> pdb=" O THRAy 241 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N ARGAy 243 " --> pdb=" O GLYAy 233 " (cutoff:3.500A) removed outlier: 7.288A pdb=" N GLYAy 233 " --> pdb=" O ARGAy 243 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N TYRAy 245 " --> pdb=" O ALAAy 231 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ALAAy 231 " --> pdb=" O TYRAy 245 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLNAy 247 " --> pdb=" O ASPAy 229 " (cutoff:3.500A) removed outlier: 5.665A pdb=" N ASPAy 229 " --> pdb=" O GLNAy 247 " (cutoff:3.500A) removed outlier: 6.344A pdb=" N THRAy 249 " --> pdb=" O GLYAy 227 " (cutoff:3.500A) removed outlier: 6.293A pdb=" N ASPAy 38 " --> pdb=" O LEUAy 224 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N LEUAy 226 " --> pdb=" O ASPAy 38 " (cutoff:3.500A) Processing sheet with id=AR4, first strand: chain 'An' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAn 204 " --> pdb=" O TYRAn 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAn 171 " --> pdb=" O ILEAn 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAn 206 " --> pdb=" O VALAn 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAn 173 " --> pdb=" O ALAAn 206 " (cutoff:3.500A) Processing sheet with id=AR5, first strand: chain 'An' and resid 185 through 186 Processing sheet with id=AR6, first strand: chain 'Ao' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAo 204 " --> pdb=" O TYRAo 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAo 171 " --> pdb=" O ILEAo 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAo 206 " --> pdb=" O VALAo 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAo 173 " --> pdb=" O ALAAo 206 " (cutoff:3.500A) Processing sheet with id=AR7, first strand: chain 'Ao' and resid 185 through 186 Processing sheet with id=AR8, first strand: chain 'Ap' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAp 204 " --> pdb=" O TYRAp 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAp 171 " --> pdb=" O ILEAp 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAp 206 " --> pdb=" O VALAp 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAp 173 " --> pdb=" O ALAAp 206 " (cutoff:3.500A) Processing sheet with id=AR9, first strand: chain 'Ap' and resid 185 through 186 Processing sheet with id=AS1, first strand: chain 'Aq' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAq 204 " --> pdb=" O TYRAq 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAq 171 " --> pdb=" O ILEAq 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAq 206 " --> pdb=" O VALAq 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAq 173 " --> pdb=" O ALAAq 206 " (cutoff:3.500A) Processing sheet with id=AS2, first strand: chain 'Aq' and resid 185 through 186 Processing sheet with id=AS3, first strand: chain 'Ar' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAr 204 " --> pdb=" O TYRAr 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAr 171 " --> pdb=" O ILEAr 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAr 206 " --> pdb=" O VALAr 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAr 173 " --> pdb=" O ALAAr 206 " (cutoff:3.500A) Processing sheet with id=AS4, first strand: chain 'Ar' and resid 185 through 186 Processing sheet with id=AS5, first strand: chain 'As' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAs 204 " --> pdb=" O TYRAs 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAs 171 " --> pdb=" O ILEAs 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAs 206 " --> pdb=" O VALAs 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAs 173 " --> pdb=" O ALAAs 206 " (cutoff:3.500A) Processing sheet with id=AS6, first strand: chain 'As' and resid 185 through 186 Processing sheet with id=AS7, first strand: chain 'At' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAt 204 " --> pdb=" O TYRAt 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAt 171 " --> pdb=" O ILEAt 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAt 206 " --> pdb=" O VALAt 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAt 173 " --> pdb=" O ALAAt 206 " (cutoff:3.500A) Processing sheet with id=AS8, first strand: chain 'At' and resid 185 through 186 Processing sheet with id=AS9, first strand: chain 'Au' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAu 204 " --> pdb=" O TYRAu 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAu 171 " --> pdb=" O ILEAu 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAu 206 " --> pdb=" O VALAu 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAu 173 " --> pdb=" O ALAAu 206 " (cutoff:3.500A) Processing sheet with id=AT1, first strand: chain 'Au' and resid 185 through 186 Processing sheet with id=AT2, first strand: chain 'Av' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAv 204 " --> pdb=" O TYRAv 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAv 171 " --> pdb=" O ILEAv 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAv 206 " --> pdb=" O VALAv 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAv 173 " --> pdb=" O ALAAv 206 " (cutoff:3.500A) Processing sheet with id=AT3, first strand: chain 'Av' and resid 185 through 186 Processing sheet with id=AT4, first strand: chain 'Aw' and resid 140 through 141 removed outlier: 8.411A pdb=" N ILEAw 204 " --> pdb=" O TYRAw 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAw 171 " --> pdb=" O ILEAw 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAw 206 " --> pdb=" O VALAw 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAw 173 " --> pdb=" O ALAAw 206 " (cutoff:3.500A) Processing sheet with id=AT5, first strand: chain 'Aw' and resid 185 through 186 Processing sheet with id=AT6, first strand: chain 'Ax' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAx 204 " --> pdb=" O TYRAx 169 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N VALAx 171 " --> pdb=" O ILEAx 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAx 206 " --> pdb=" O VALAx 171 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N LEUAx 173 " --> pdb=" O ALAAx 206 " (cutoff:3.500A) Processing sheet with id=AT7, first strand: chain 'Ax' and resid 185 through 186 Processing sheet with id=AT8, first strand: chain 'Ay' and resid 140 through 141 removed outlier: 8.412A pdb=" N ILEAy 204 " --> pdb=" O TYRAy 169 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N VALAy 171 " --> pdb=" O ILEAy 204 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N ALAAy 206 " --> pdb=" O VALAy 171 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N LEUAy 173 " --> pdb=" O ALAAy 206 " (cutoff:3.500A) Processing sheet with id=AT9, first strand: chain 'Ay' and resid 185 through 186 5760 hydrogen bonds defined for protein. 15300 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: 67.44 Time building geometry restraints manager: 36.99 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.19 - 1.32: 21972 1.32 - 1.44: 30768 1.44 - 1.56: 71520 1.56 - 1.68: 0 1.68 - 1.80: 180 Bond restraints: 124440 Sorted by residual: bond pdb=" CZ ARGAh 35 " pdb=" NH2 ARGAh 35 " ideal model delta sigma weight residual 1.330 1.288 0.042 1.30e-02 5.92e+03 1.07e+01 bond pdb=" CZ ARGAI 35 " pdb=" NH2 ARGAI 35 " ideal model delta sigma weight residual 1.330 1.288 0.042 1.30e-02 5.92e+03 1.07e+01 bond pdb=" CZ ARGAM 35 " pdb=" NH2 ARGAM 35 " ideal model delta sigma weight residual 1.330 1.288 0.042 1.30e-02 5.92e+03 1.07e+01 bond pdb=" CZ ARGAm 35 " pdb=" NH2 ARGAm 35 " ideal model delta sigma weight residual 1.330 1.288 0.042 1.30e-02 5.92e+03 1.07e+01 bond pdb=" CZ ARGAr 35 " pdb=" NH2 ARGAr 35 " ideal model delta sigma weight residual 1.330 1.288 0.042 1.30e-02 5.92e+03 1.07e+01 ... (remaining 124435 not shown) Histogram of bond angle deviations from ideal: 100.60 - 107.44: 5292 107.44 - 114.28: 70248 114.28 - 121.12: 58416 121.12 - 127.96: 34908 127.96 - 134.79: 816 Bond angle restraints: 169680 Sorted by residual: angle pdb=" N GLUA2 193 " pdb=" CA GLUA2 193 " pdb=" C GLUA2 193 " ideal model delta sigma weight residual 113.23 103.79 9.44 1.24e+00 6.50e-01 5.80e+01 angle pdb=" N GLUAg 193 " pdb=" CA GLUAg 193 " pdb=" C GLUAg 193 " ideal model delta sigma weight residual 113.23 103.79 9.44 1.24e+00 6.50e-01 5.80e+01 angle pdb=" N GLUAA 193 " pdb=" CA GLUAA 193 " pdb=" C GLUAA 193 " ideal model delta sigma weight residual 113.23 103.79 9.44 1.24e+00 6.50e-01 5.80e+01 angle pdb=" N GLUA8 193 " pdb=" CA GLUA8 193 " pdb=" C GLUA8 193 " ideal model delta sigma weight residual 113.23 103.79 9.44 1.24e+00 6.50e-01 5.80e+01 angle pdb=" N GLUAS 193 " pdb=" CA GLUAS 193 " pdb=" C GLUAS 193 " ideal model delta sigma weight residual 113.23 103.79 9.44 1.24e+00 6.50e-01 5.80e+01 ... (remaining 169675 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.25: 67980 16.25 - 32.50: 5460 32.50 - 48.75: 1320 48.75 - 65.00: 120 65.00 - 81.26: 180 Dihedral angle restraints: 75060 sinusoidal: 28980 harmonic: 46080 Sorted by residual: dihedral pdb=" CA ASPAG 202 " pdb=" C ASPAG 202 " pdb=" N ILEAG 203 " pdb=" CA ILEAG 203 " ideal model delta harmonic sigma weight residual 180.00 156.10 23.90 0 5.00e+00 4.00e-02 2.28e+01 dihedral pdb=" CA ASPAw 202 " pdb=" C ASPAw 202 " pdb=" N ILEAw 203 " pdb=" CA ILEAw 203 " ideal model delta harmonic sigma weight residual 180.00 156.10 23.90 0 5.00e+00 4.00e-02 2.28e+01 dihedral pdb=" CA ASPAT 202 " pdb=" C ASPAT 202 " pdb=" N ILEAT 203 " pdb=" CA ILEAT 203 " ideal model delta harmonic sigma weight residual 180.00 156.10 23.90 0 5.00e+00 4.00e-02 2.28e+01 ... (remaining 75057 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.048: 12900 0.048 - 0.097: 3660 0.097 - 0.145: 2148 0.145 - 0.193: 852 0.193 - 0.242: 240 Chirality restraints: 19800 Sorted by residual: chirality pdb=" CA SERAh 127 " pdb=" N SERAh 127 " pdb=" C SERAh 127 " pdb=" CB SERAh 127 " both_signs ideal model delta sigma weight residual False 2.51 2.27 0.24 2.00e-01 2.50e+01 1.46e+00 chirality pdb=" CA SERAg 127 " pdb=" N SERAg 127 " pdb=" C SERAg 127 " pdb=" CB SERAg 127 " both_signs ideal model delta sigma weight residual False 2.51 2.27 0.24 2.00e-01 2.50e+01 1.46e+00 chirality pdb=" CA SERAm 127 " pdb=" N SERAm 127 " pdb=" C SERAm 127 " pdb=" CB SERAm 127 " both_signs ideal model delta sigma weight residual False 2.51 2.27 0.24 2.00e-01 2.50e+01 1.46e+00 ... (remaining 19797 not shown) Planarity restraints: 22200 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CD ARGAh 192 " -0.630 9.50e-02 1.11e+02 2.82e-01 4.87e+01 pdb=" NE ARGAh 192 " 0.040 2.00e-02 2.50e+03 pdb=" CZ ARGAh 192 " 0.000 2.00e-02 2.50e+03 pdb=" NH1 ARGAh 192 " 0.006 2.00e-02 2.50e+03 pdb=" NH2 ARGAh 192 " -0.018 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CD ARGAI 192 " 0.630 9.50e-02 1.11e+02 2.82e-01 4.87e+01 pdb=" NE ARGAI 192 " -0.040 2.00e-02 2.50e+03 pdb=" CZ ARGAI 192 " -0.000 2.00e-02 2.50e+03 pdb=" NH1 ARGAI 192 " -0.006 2.00e-02 2.50e+03 pdb=" NH2 ARGAI 192 " 0.018 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CD ARGAM 192 " 0.630 9.50e-02 1.11e+02 2.82e-01 4.87e+01 pdb=" NE ARGAM 192 " -0.040 2.00e-02 2.50e+03 pdb=" CZ ARGAM 192 " -0.000 2.00e-02 2.50e+03 pdb=" NH1 ARGAM 192 " -0.006 2.00e-02 2.50e+03 pdb=" NH2 ARGAM 192 " 0.018 2.00e-02 2.50e+03 ... (remaining 22197 not shown) Histogram of nonbonded interaction distances: 2.22 - 2.76: 15324 2.76 - 3.29: 111912 3.29 - 3.83: 205236 3.83 - 4.36: 265878 4.36 - 4.90: 441174 Nonbonded interactions: 1039524 Sorted by model distance: nonbonded pdb=" OH TYRA6 123 " pdb=" O LYSAc 59 " model vdw 2.225 2.440 nonbonded pdb=" O LYSA7 59 " pdb=" OH TYRAY 123 " model vdw 2.225 2.440 nonbonded pdb=" OH TYRA3 123 " pdb=" O LYSAL 59 " model vdw 2.225 2.440 nonbonded pdb=" O LYSAD 59 " pdb=" OH TYRAk 123 " model vdw 2.225 2.440 nonbonded pdb=" OH TYRAE 123 " pdb=" O LYSAF 59 " model vdw 2.225 2.440 ... (remaining 1039519 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 '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 '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' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.920 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.080 Extract box with map and model: 25.620 Check model and map are aligned: 1.280 Set scattering table: 0.780 Process input model: 256.150 Find NCS groups from input model: 6.320 Set up NCS constraints: 1.580 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:11.070 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 306.820 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8516 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 : 0.008 0.042 124440 Z= 0.532 Angle : 1.221 9.444 169680 Z= 0.831 Chirality : 0.068 0.242 19800 Planarity : 0.018 0.282 22200 Dihedral : 12.947 81.255 45300 Min Nonbonded Distance : 2.225 Molprobity Statistics. All-atom Clashscore : 4.42 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.52 % Favored : 98.48 % Rotamer: Outliers : 0.00 % Allowed : 3.21 % Favored : 96.79 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % 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: -0.45 (0.06), residues: 15780 helix: -0.46 (0.06), residues: 5340 sheet: 0.46 (0.08), residues: 4140 loop : -0.48 (0.07), residues: 6300 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.041 0.007 TRPAI 205 HIS 0.006 0.002 HISAw 68 PHE 0.045 0.005 PHEAs 120 TYR 0.084 0.009 TYRAw 169 ARG 0.011 0.001 ARGAR 117 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1956 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1956 time to evaluate : 10.433 Fit side-chains REVERT: A1 197 ARG cc_start: 0.7464 (mtm-85) cc_final: 0.7162 (mtp180) REVERT: A5 197 ARG cc_start: 0.7471 (mtm-85) cc_final: 0.7166 (mtp180) REVERT: AC 210 ASP cc_start: 0.7183 (m-30) cc_final: 0.6964 (m-30) REVERT: AH 210 ASP cc_start: 0.7179 (m-30) cc_final: 0.6961 (m-30) REVERT: AK 210 ASP cc_start: 0.7180 (m-30) cc_final: 0.6961 (m-30) REVERT: AN 210 ASP cc_start: 0.7182 (m-30) cc_final: 0.6964 (m-30) REVERT: AR 210 ASP cc_start: 0.7182 (m-30) cc_final: 0.6964 (m-30) REVERT: AU 210 ASP cc_start: 0.7182 (m-30) cc_final: 0.6964 (m-30) REVERT: AV 197 ARG cc_start: 0.7465 (mtm-85) cc_final: 0.7158 (mtp180) REVERT: AX 197 ARG cc_start: 0.7469 (mtm-85) cc_final: 0.7161 (mtp180) REVERT: AZ 197 ARG cc_start: 0.7464 (mtm-85) cc_final: 0.7162 (mtp180) REVERT: Aa 210 ASP cc_start: 0.7179 (m-30) cc_final: 0.6961 (m-30) REVERT: Ae 210 ASP cc_start: 0.7179 (m-30) cc_final: 0.6961 (m-30) REVERT: Af 197 ARG cc_start: 0.7469 (mtm-85) cc_final: 0.7161 (mtp180) REVERT: Aj 197 ARG cc_start: 0.7464 (mtm-85) cc_final: 0.7162 (mtp180) REVERT: Al 210 ASP cc_start: 0.7180 (m-30) cc_final: 0.6961 (m-30) REVERT: An 197 ARG cc_start: 0.7471 (mtm-85) cc_final: 0.7166 (mtp180) REVERT: Ao 197 ARG cc_start: 0.7469 (mtm-85) cc_final: 0.7161 (mtp180) REVERT: Ap 197 ARG cc_start: 0.7465 (mtm-85) cc_final: 0.7158 (mtp180) REVERT: As 210 ASP cc_start: 0.7183 (m-30) cc_final: 0.6964 (m-30) REVERT: Au 210 ASP cc_start: 0.7180 (m-30) cc_final: 0.6961 (m-30) REVERT: Av 197 ARG cc_start: 0.7465 (mtm-85) cc_final: 0.7158 (mtp180) REVERT: Ax 197 ARG cc_start: 0.7471 (mtm-85) cc_final: 0.7166 (mtp180) REVERT: Ay 210 ASP cc_start: 0.7184 (m-30) cc_final: 0.6964 (m-30) outliers start: 0 outliers final: 0 residues processed: 1956 average time/residue: 2.2121 time to fit residues: 5759.0156 Evaluate side-chains 1236 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1236 time to evaluate : 10.050 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1317 optimal weight: 4.9990 chunk 1182 optimal weight: 2.9990 chunk 656 optimal weight: 3.9990 chunk 403 optimal weight: 0.5980 chunk 797 optimal weight: 0.9990 chunk 631 optimal weight: 5.9990 chunk 1222 optimal weight: 6.9990 chunk 473 optimal weight: 5.9990 chunk 743 optimal weight: 1.9990 chunk 910 optimal weight: 0.9980 chunk 1416 optimal weight: 4.9990 overall best weight: 1.5186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A1 247 GLN A2 247 GLN A3 247 GLN A4 196 ASN A4 247 GLN A5 247 GLN A6 247 GLN A7 196 ASN A7 247 GLN A8 247 GLN A9 196 ASN A9 247 GLN AA 247 GLN AB 247 GLN AC 247 GLN AD 196 ASN AD 247 GLN AE 247 GLN AF 196 ASN AF 247 GLN AG 196 ASN AG 247 GLN AH 247 GLN AI 247 GLN AJ 247 GLN AK 247 GLN AL 196 ASN AL 247 GLN AM 247 GLN AN 247 GLN AO 247 GLN AP 247 GLN AQ 247 GLN AR 247 GLN AS 247 GLN AT 196 ASN AT 247 GLN AU 247 GLN AV 247 GLN AW 247 GLN AX 247 GLN AY 247 GLN AZ 247 GLN Aa 247 GLN Ab 196 ASN Ab 247 GLN Ac 196 ASN Ac 247 GLN Ad 247 GLN Ae 247 GLN Af 247 GLN Ag 247 GLN Ah 247 GLN Ai 247 GLN Aj 247 GLN Ak 247 GLN Al 247 GLN Am 247 GLN An 247 GLN Ao 247 GLN Ap 247 GLN Aq 196 ASN Aq 247 GLN Ar 247 GLN As 247 GLN At 247 GLN Au 247 GLN Av 247 GLN Aw 196 ASN Aw 247 GLN Ax 247 GLN Ay 247 GLN Total number of N/Q/H flips: 72 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8525 moved from start: 0.1638 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.024 124440 Z= 0.168 Angle : 0.489 5.205 169680 Z= 0.255 Chirality : 0.041 0.134 19800 Planarity : 0.004 0.024 22200 Dihedral : 4.284 14.393 17460 Min Nonbonded Distance : 2.180 Molprobity Statistics. All-atom Clashscore : 4.74 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.14 % Favored : 98.86 % Rotamer: Outliers : 0.83 % Allowed : 11.74 % Favored : 87.43 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % 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: 1.07 (0.07), residues: 15780 helix: 1.23 (0.07), residues: 5400 sheet: 0.60 (0.08), residues: 4140 loop : 0.52 (0.08), residues: 6240 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRPAj 16 HIS 0.003 0.001 HISAj 237 PHE 0.011 0.001 PHEA8 120 TYR 0.005 0.001 TYRAp 189 ARG 0.002 0.000 ARGA4 192 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1416 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 108 poor density : 1308 time to evaluate : 9.213 Fit side-chains outliers start: 108 outliers final: 12 residues processed: 1380 average time/residue: 2.1866 time to fit residues: 4033.2458 Evaluate side-chains 1224 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 12 poor density : 1212 time to evaluate : 10.082 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain AC residue 116 ASP Chi-restraints excluded: chain AH residue 116 ASP Chi-restraints excluded: chain AK residue 116 ASP Chi-restraints excluded: chain AN residue 116 ASP Chi-restraints excluded: chain AR residue 116 ASP Chi-restraints excluded: chain AU residue 116 ASP Chi-restraints excluded: chain Aa residue 116 ASP Chi-restraints excluded: chain Ae residue 116 ASP Chi-restraints excluded: chain Al residue 116 ASP Chi-restraints excluded: chain As residue 116 ASP Chi-restraints excluded: chain Au residue 116 ASP Chi-restraints excluded: chain Ay residue 116 ASP Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 787 optimal weight: 3.9990 chunk 439 optimal weight: 10.0000 chunk 1179 optimal weight: 9.9990 chunk 964 optimal weight: 2.9990 chunk 390 optimal weight: 10.0000 chunk 1419 optimal weight: 4.9990 chunk 1533 optimal weight: 6.9990 chunk 1263 optimal weight: 8.9990 chunk 1407 optimal weight: 5.9990 chunk 483 optimal weight: 4.9990 chunk 1138 optimal weight: 9.9990 overall best weight: 4.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A2 2 ASN A3 2 ASN A4 196 ASN A6 2 ASN A7 196 ASN A8 2 ASN A9 196 ASN AA 2 ASN AB 2 ASN AC 2 ASN AC 196 ASN AD 196 ASN AE 2 ASN AF 196 ASN AG 196 ASN AH 2 ASN AH 196 ASN AI 2 ASN AJ 2 ASN AK 2 ASN AK 196 ASN AL 196 ASN AM 2 ASN AN 2 ASN AN 196 ASN AO 2 ASN AP 2 ASN AQ 2 ASN AR 2 ASN AR 196 ASN AS 2 ASN AT 196 ASN AU 2 ASN AU 196 ASN AW 2 ASN AY 2 ASN Aa 2 ASN Aa 196 ASN Ab 196 ASN Ac 196 ASN Ad 2 ASN Ae 2 ASN Ae 196 ASN Ag 2 ASN Ah 2 ASN Ai 2 ASN Ak 2 ASN Al 2 ASN Al 196 ASN Am 2 ASN Aq 196 ASN Ar 2 ASN As 2 ASN As 196 ASN At 2 ASN Au 2 ASN Au 196 ASN Aw 196 ASN Ay 2 ASN Ay 196 ASN Total number of N/Q/H flips: 60 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8600 moved from start: 0.1782 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.045 124440 Z= 0.406 Angle : 0.562 5.672 169680 Z= 0.297 Chirality : 0.047 0.139 19800 Planarity : 0.004 0.027 22200 Dihedral : 4.745 15.687 17460 Min Nonbonded Distance : 2.160 Molprobity Statistics. All-atom Clashscore : 3.90 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.06 % Favored : 98.94 % Rotamer: Outliers : 1.83 % Allowed : 13.21 % Favored : 84.95 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % 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: 1.20 (0.07), residues: 15780 helix: 1.29 (0.07), residues: 5400 sheet: 0.68 (0.08), residues: 4080 loop : 0.62 (0.08), residues: 6300 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRPAA 101 HIS 0.003 0.001 HISAQ 194 PHE 0.016 0.003 PHEAk 120 TYR 0.010 0.002 TYRAk 5 ARG 0.005 0.001 ARGAL 35 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1248 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 240 poor density : 1008 time to evaluate : 10.369 Fit side-chains REVERT: A2 97 LYS cc_start: 0.8879 (OUTLIER) cc_final: 0.8468 (mtmm) REVERT: A2 116 ASP cc_start: 0.7592 (OUTLIER) cc_final: 0.7332 (m-30) REVERT: A2 192 ARG cc_start: 0.8709 (OUTLIER) cc_final: 0.8504 (ttp-110) REVERT: A3 109 LYS cc_start: 0.8642 (OUTLIER) cc_final: 0.8439 (tttt) REVERT: A6 109 LYS cc_start: 0.8642 (OUTLIER) cc_final: 0.8439 (tttt) REVERT: A8 97 LYS cc_start: 0.8879 (OUTLIER) cc_final: 0.8468 (mtmm) REVERT: A8 116 ASP cc_start: 0.7592 (OUTLIER) cc_final: 0.7332 (m-30) REVERT: A8 192 ARG cc_start: 0.8709 (OUTLIER) cc_final: 0.8505 (ttp-110) REVERT: AA 97 LYS cc_start: 0.8879 (OUTLIER) cc_final: 0.8468 (mtmm) REVERT: AA 116 ASP cc_start: 0.7592 (OUTLIER) cc_final: 0.7331 (m-30) REVERT: AA 192 ARG cc_start: 0.8709 (OUTLIER) cc_final: 0.8504 (ttp-110) REVERT: AB 109 LYS cc_start: 0.8641 (OUTLIER) cc_final: 0.8432 (tttt) REVERT: AC 200 ASP cc_start: 0.8050 (OUTLIER) cc_final: 0.7816 (p0) REVERT: AE 109 LYS cc_start: 0.8637 (OUTLIER) cc_final: 0.8427 (tttt) REVERT: AH 200 ASP cc_start: 0.8047 (OUTLIER) cc_final: 0.7814 (p0) REVERT: AI 97 LYS cc_start: 0.8870 (OUTLIER) cc_final: 0.8465 (mtmm) REVERT: AI 116 ASP cc_start: 0.7601 (OUTLIER) cc_final: 0.7342 (m-30) REVERT: AI 192 ARG cc_start: 0.8707 (OUTLIER) cc_final: 0.8500 (ttp-110) REVERT: AJ 109 LYS cc_start: 0.8641 (OUTLIER) cc_final: 0.8432 (tttt) REVERT: AK 200 ASP cc_start: 0.8049 (OUTLIER) cc_final: 0.7817 (p0) REVERT: AM 97 LYS cc_start: 0.8870 (OUTLIER) cc_final: 0.8465 (mtmm) REVERT: AM 116 ASP cc_start: 0.7601 (OUTLIER) cc_final: 0.7342 (m-30) REVERT: AM 192 ARG cc_start: 0.8707 (OUTLIER) cc_final: 0.8500 (ttp-110) REVERT: AN 200 ASP cc_start: 0.8050 (OUTLIER) cc_final: 0.7818 (p0) REVERT: AO 109 LYS cc_start: 0.8641 (OUTLIER) cc_final: 0.8432 (tttt) REVERT: AP 109 LYS cc_start: 0.8641 (OUTLIER) cc_final: 0.8432 (tttt) REVERT: AQ 109 LYS cc_start: 0.8641 (OUTLIER) cc_final: 0.8432 (tttt) REVERT: AR 200 ASP cc_start: 0.8050 (OUTLIER) cc_final: 0.7817 (p0) REVERT: AS 97 LYS cc_start: 0.8877 (OUTLIER) cc_final: 0.8470 (mtmm) REVERT: AS 116 ASP cc_start: 0.7588 (OUTLIER) cc_final: 0.7327 (m-30) REVERT: AS 192 ARG cc_start: 0.8707 (OUTLIER) cc_final: 0.8502 (ttp-110) REVERT: AU 200 ASP cc_start: 0.8049 (OUTLIER) cc_final: 0.7817 (p0) REVERT: AW 109 LYS cc_start: 0.8637 (OUTLIER) cc_final: 0.8427 (tttt) REVERT: AY 109 LYS cc_start: 0.8642 (OUTLIER) cc_final: 0.8439 (tttt) REVERT: Aa 200 ASP cc_start: 0.8047 (OUTLIER) cc_final: 0.7814 (p0) REVERT: Ad 97 LYS cc_start: 0.8870 (OUTLIER) cc_final: 0.8465 (mtmm) REVERT: Ad 116 ASP cc_start: 0.7601 (OUTLIER) cc_final: 0.7342 (m-30) REVERT: Ad 192 ARG cc_start: 0.8707 (OUTLIER) cc_final: 0.8500 (ttp-110) REVERT: Ae 200 ASP cc_start: 0.8047 (OUTLIER) cc_final: 0.7814 (p0) REVERT: Ag 97 LYS cc_start: 0.8877 (OUTLIER) cc_final: 0.8470 (mtmm) REVERT: Ag 116 ASP cc_start: 0.7588 (OUTLIER) cc_final: 0.7327 (m-30) REVERT: Ag 192 ARG cc_start: 0.8707 (OUTLIER) cc_final: 0.8502 (ttp-110) REVERT: Ah 97 LYS cc_start: 0.8874 (OUTLIER) cc_final: 0.8467 (mtmm) REVERT: Ah 116 ASP cc_start: 0.7594 (OUTLIER) cc_final: 0.7335 (m-30) REVERT: Ah 192 ARG cc_start: 0.8706 (OUTLIER) cc_final: 0.8502 (ttp-110) REVERT: Ai 97 LYS cc_start: 0.8874 (OUTLIER) cc_final: 0.8467 (mtmm) REVERT: Ai 116 ASP cc_start: 0.7594 (OUTLIER) cc_final: 0.7335 (m-30) REVERT: Ai 192 ARG cc_start: 0.8706 (OUTLIER) cc_final: 0.8502 (ttp-110) REVERT: Ak 109 LYS cc_start: 0.8637 (OUTLIER) cc_final: 0.8427 (tttt) REVERT: Al 200 ASP cc_start: 0.8049 (OUTLIER) cc_final: 0.7817 (p0) REVERT: Am 97 LYS cc_start: 0.8877 (OUTLIER) cc_final: 0.8470 (mtmm) REVERT: Am 116 ASP cc_start: 0.7588 (OUTLIER) cc_final: 0.7328 (m-30) REVERT: Am 192 ARG cc_start: 0.8706 (OUTLIER) cc_final: 0.8502 (ttp-110) REVERT: Ar 97 LYS cc_start: 0.8874 (OUTLIER) cc_final: 0.8467 (mtmm) REVERT: Ar 116 ASP cc_start: 0.7594 (OUTLIER) cc_final: 0.7335 (m-30) REVERT: Ar 192 ARG cc_start: 0.8706 (OUTLIER) cc_final: 0.8502 (ttp-110) REVERT: As 200 ASP cc_start: 0.8050 (OUTLIER) cc_final: 0.7817 (p0) REVERT: At 109 LYS cc_start: 0.8641 (OUTLIER) cc_final: 0.8432 (tttt) REVERT: Au 200 ASP cc_start: 0.8049 (OUTLIER) cc_final: 0.7817 (p0) REVERT: Ay 200 ASP cc_start: 0.8050 (OUTLIER) cc_final: 0.7817 (p0) outliers start: 240 outliers final: 83 residues processed: 1164 average time/residue: 2.2669 time to fit residues: 3508.0823 Evaluate side-chains 1128 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 143 poor density : 985 time to evaluate : 10.051 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A1 residue 180 LYS Chi-restraints excluded: chain A1 residue 200 ASP Chi-restraints excluded: chain A1 residue 239 THR Chi-restraints excluded: chain A2 residue 97 LYS Chi-restraints excluded: chain A2 residue 116 ASP Chi-restraints excluded: chain A2 residue 192 ARG Chi-restraints excluded: chain A2 residue 200 ASP Chi-restraints excluded: chain A3 residue 109 LYS Chi-restraints excluded: chain A5 residue 180 LYS Chi-restraints excluded: chain A5 residue 200 ASP Chi-restraints excluded: chain A5 residue 239 THR Chi-restraints excluded: chain A6 residue 109 LYS Chi-restraints excluded: chain A8 residue 97 LYS Chi-restraints excluded: chain A8 residue 116 ASP Chi-restraints excluded: chain A8 residue 192 ARG Chi-restraints excluded: chain A8 residue 200 ASP Chi-restraints excluded: chain AA residue 97 LYS Chi-restraints excluded: chain AA residue 116 ASP Chi-restraints excluded: chain AA residue 192 ARG Chi-restraints excluded: chain AA residue 200 ASP Chi-restraints excluded: chain AB residue 109 LYS Chi-restraints excluded: chain AC residue 21 LEU Chi-restraints excluded: chain AC residue 116 ASP Chi-restraints excluded: chain AC residue 200 ASP Chi-restraints excluded: chain AE residue 109 LYS Chi-restraints excluded: chain AH residue 21 LEU Chi-restraints excluded: chain AH residue 97 LYS Chi-restraints excluded: chain AH residue 116 ASP Chi-restraints excluded: chain AH residue 200 ASP Chi-restraints excluded: chain AI residue 97 LYS Chi-restraints excluded: chain AI residue 116 ASP Chi-restraints excluded: chain AI residue 192 ARG Chi-restraints excluded: chain AI residue 200 ASP Chi-restraints excluded: chain AJ residue 109 LYS Chi-restraints excluded: chain AK residue 21 LEU Chi-restraints excluded: chain AK residue 97 LYS Chi-restraints excluded: chain AK residue 116 ASP Chi-restraints excluded: chain AK residue 200 ASP Chi-restraints excluded: chain AM residue 97 LYS Chi-restraints excluded: chain AM residue 116 ASP Chi-restraints excluded: chain AM residue 192 ARG Chi-restraints excluded: chain AM residue 200 ASP Chi-restraints excluded: chain AN residue 21 LEU Chi-restraints excluded: chain AN residue 97 LYS Chi-restraints excluded: chain AN residue 116 ASP Chi-restraints excluded: chain AN residue 200 ASP Chi-restraints excluded: chain AO residue 109 LYS Chi-restraints excluded: chain AP residue 109 LYS Chi-restraints excluded: chain AQ residue 109 LYS Chi-restraints excluded: chain AR residue 21 LEU Chi-restraints excluded: chain AR residue 97 LYS Chi-restraints excluded: chain AR residue 116 ASP Chi-restraints excluded: chain AR residue 200 ASP Chi-restraints excluded: chain AS residue 97 LYS Chi-restraints excluded: chain AS residue 116 ASP Chi-restraints excluded: chain AS residue 192 ARG Chi-restraints excluded: chain AS residue 200 ASP Chi-restraints excluded: chain AU residue 21 LEU Chi-restraints excluded: chain AU residue 97 LYS Chi-restraints excluded: chain AU residue 116 ASP Chi-restraints excluded: chain AU residue 200 ASP Chi-restraints excluded: chain AV residue 180 LYS Chi-restraints excluded: chain AV residue 200 ASP Chi-restraints excluded: chain AV residue 239 THR Chi-restraints excluded: chain AW residue 109 LYS Chi-restraints excluded: chain AX residue 180 LYS Chi-restraints excluded: chain AX residue 200 ASP Chi-restraints excluded: chain AX residue 239 THR Chi-restraints excluded: chain AY residue 109 LYS Chi-restraints excluded: chain AZ residue 180 LYS Chi-restraints excluded: chain AZ residue 200 ASP Chi-restraints excluded: chain AZ residue 239 THR Chi-restraints excluded: chain Aa residue 21 LEU Chi-restraints excluded: chain Aa residue 97 LYS Chi-restraints excluded: chain Aa residue 116 ASP Chi-restraints excluded: chain Aa residue 200 ASP Chi-restraints excluded: chain Ad residue 97 LYS Chi-restraints excluded: chain Ad residue 116 ASP Chi-restraints excluded: chain Ad residue 192 ARG Chi-restraints excluded: chain Ad residue 200 ASP Chi-restraints excluded: chain Ae residue 21 LEU Chi-restraints excluded: chain Ae residue 97 LYS Chi-restraints excluded: chain Ae residue 116 ASP Chi-restraints excluded: chain Ae residue 200 ASP Chi-restraints excluded: chain Af residue 180 LYS Chi-restraints excluded: chain Af residue 200 ASP Chi-restraints excluded: chain Af residue 239 THR Chi-restraints excluded: chain Ag residue 97 LYS Chi-restraints excluded: chain Ag residue 116 ASP Chi-restraints excluded: chain Ag residue 192 ARG Chi-restraints excluded: chain Ag residue 200 ASP Chi-restraints excluded: chain Ah residue 97 LYS Chi-restraints excluded: chain Ah residue 116 ASP Chi-restraints excluded: chain Ah residue 192 ARG Chi-restraints excluded: chain Ah residue 200 ASP Chi-restraints excluded: chain Ai residue 97 LYS Chi-restraints excluded: chain Ai residue 116 ASP Chi-restraints excluded: chain Ai residue 192 ARG Chi-restraints excluded: chain Ai residue 200 ASP Chi-restraints excluded: chain Aj residue 180 LYS Chi-restraints excluded: chain Aj residue 200 ASP Chi-restraints excluded: chain Aj residue 239 THR Chi-restraints excluded: chain Ak residue 109 LYS Chi-restraints excluded: chain Al residue 21 LEU Chi-restraints excluded: chain Al residue 97 LYS Chi-restraints excluded: chain Al residue 116 ASP Chi-restraints excluded: chain Al residue 200 ASP Chi-restraints excluded: chain Am residue 97 LYS Chi-restraints excluded: chain Am residue 116 ASP Chi-restraints excluded: chain Am residue 192 ARG Chi-restraints excluded: chain Am residue 200 ASP Chi-restraints excluded: chain An residue 180 LYS Chi-restraints excluded: chain An residue 200 ASP Chi-restraints excluded: chain An residue 239 THR Chi-restraints excluded: chain Ao residue 180 LYS Chi-restraints excluded: chain Ao residue 200 ASP Chi-restraints excluded: chain Ao residue 239 THR Chi-restraints excluded: chain Ap residue 180 LYS Chi-restraints excluded: chain Ap residue 200 ASP Chi-restraints excluded: chain Ap residue 239 THR Chi-restraints excluded: chain Ar residue 97 LYS Chi-restraints excluded: chain Ar residue 116 ASP Chi-restraints excluded: chain Ar residue 192 ARG Chi-restraints excluded: chain Ar residue 200 ASP Chi-restraints excluded: chain As residue 21 LEU Chi-restraints excluded: chain As residue 97 LYS Chi-restraints excluded: chain As residue 116 ASP Chi-restraints excluded: chain As residue 200 ASP Chi-restraints excluded: chain At residue 109 LYS Chi-restraints excluded: chain Au residue 21 LEU Chi-restraints excluded: chain Au residue 97 LYS Chi-restraints excluded: chain Au residue 116 ASP Chi-restraints excluded: chain Au residue 200 ASP Chi-restraints excluded: chain Av residue 180 LYS Chi-restraints excluded: chain Av residue 200 ASP Chi-restraints excluded: chain Av residue 239 THR Chi-restraints excluded: chain Ax residue 180 LYS Chi-restraints excluded: chain Ax residue 200 ASP Chi-restraints excluded: chain Ax residue 239 THR Chi-restraints excluded: chain Ay residue 21 LEU Chi-restraints excluded: chain Ay residue 97 LYS Chi-restraints excluded: chain Ay residue 116 ASP Chi-restraints excluded: chain Ay residue 200 ASP Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1402 optimal weight: 0.9990 chunk 1067 optimal weight: 0.9990 chunk 736 optimal weight: 9.9990 chunk 157 optimal weight: 0.8980 chunk 677 optimal weight: 2.9990 chunk 952 optimal weight: 10.0000 chunk 1424 optimal weight: 0.9980 chunk 1507 optimal weight: 0.6980 chunk 744 optimal weight: 10.0000 chunk 1349 optimal weight: 5.9990 chunk 406 optimal weight: 2.9990 overall best weight: 0.9184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A1 30 HIS A4 196 ASN A5 30 HIS A7 196 ASN A9 196 ASN AC 196 ASN AD 196 ASN AF 196 ASN AG 196 ASN AH 196 ASN AK 196 ASN AL 196 ASN AN 196 ASN AR 196 ASN AT 196 ASN AU 196 ASN AV 30 HIS AX 30 HIS AZ 30 HIS Aa 196 ASN Ab 196 ASN Ac 196 ASN Ae 196 ASN Af 30 HIS Aj 30 HIS Al 196 ASN An 30 HIS Ao 30 HIS Ap 30 HIS Aq 196 ASN As 196 ASN Au 196 ASN Av 30 HIS Aw 196 ASN Ax 30 HIS Ay 196 ASN Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8525 moved from start: 0.1987 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.017 124440 Z= 0.120 Angle : 0.430 4.661 169680 Z= 0.227 Chirality : 0.041 0.128 19800 Planarity : 0.003 0.027 22200 Dihedral : 3.932 13.196 17460 Min Nonbonded Distance : 2.183 Molprobity Statistics. All-atom Clashscore : 3.60 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.46 % Favored : 99.54 % Rotamer: Outliers : 1.38 % Allowed : 13.76 % Favored : 84.86 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % 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: 1.57 (0.07), residues: 15780 helix: 1.95 (0.07), residues: 5400 sheet: 0.38 (0.08), residues: 4500 loop : 0.93 (0.09), residues: 5880 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.001 TRPAZ 16 HIS 0.003 0.001 HISAx 237 PHE 0.007 0.001 PHEA3 82 TYR 0.004 0.001 TYRA2 123 ARG 0.001 0.000 ARGAK 35 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1429 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 180 poor density : 1249 time to evaluate : 10.354 Fit side-chains REVERT: A2 54 ARG cc_start: 0.8328 (OUTLIER) cc_final: 0.7726 (mtt180) REVERT: A2 97 LYS cc_start: 0.8845 (OUTLIER) cc_final: 0.8444 (mtmm) REVERT: A8 54 ARG cc_start: 0.8328 (OUTLIER) cc_final: 0.7726 (mtt180) REVERT: A8 97 LYS cc_start: 0.8845 (OUTLIER) cc_final: 0.8444 (mtmm) REVERT: AA 54 ARG cc_start: 0.8328 (OUTLIER) cc_final: 0.7726 (mtt180) REVERT: AA 97 LYS cc_start: 0.8845 (OUTLIER) cc_final: 0.8444 (mtmm) REVERT: AI 54 ARG cc_start: 0.8336 (OUTLIER) cc_final: 0.7735 (mtt180) REVERT: AI 97 LYS cc_start: 0.8834 (OUTLIER) cc_final: 0.8442 (mtmm) REVERT: AM 54 ARG cc_start: 0.8336 (OUTLIER) cc_final: 0.7735 (mtt180) REVERT: AM 97 LYS cc_start: 0.8834 (OUTLIER) cc_final: 0.8442 (mtmm) REVERT: AS 54 ARG cc_start: 0.8330 (OUTLIER) cc_final: 0.7732 (mtt180) REVERT: AS 97 LYS cc_start: 0.8842 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: Ad 54 ARG cc_start: 0.8336 (OUTLIER) cc_final: 0.7735 (mtt180) REVERT: Ad 97 LYS cc_start: 0.8834 (OUTLIER) cc_final: 0.8442 (mtmm) REVERT: Ag 54 ARG cc_start: 0.8330 (OUTLIER) cc_final: 0.7732 (mtt180) REVERT: Ag 97 LYS cc_start: 0.8842 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: Ah 54 ARG cc_start: 0.8334 (OUTLIER) cc_final: 0.7733 (mtt180) REVERT: Ah 97 LYS cc_start: 0.8838 (OUTLIER) cc_final: 0.8445 (mtmm) REVERT: Ai 54 ARG cc_start: 0.8334 (OUTLIER) cc_final: 0.7733 (mtt180) REVERT: Ai 97 LYS cc_start: 0.8838 (OUTLIER) cc_final: 0.8445 (mtmm) REVERT: Am 54 ARG cc_start: 0.8330 (OUTLIER) cc_final: 0.7732 (mtt180) REVERT: Am 97 LYS cc_start: 0.8842 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: Ar 54 ARG cc_start: 0.8334 (OUTLIER) cc_final: 0.7733 (mtt180) REVERT: Ar 97 LYS cc_start: 0.8838 (OUTLIER) cc_final: 0.8445 (mtmm) outliers start: 180 outliers final: 48 residues processed: 1369 average time/residue: 2.2175 time to fit residues: 4056.9464 Evaluate side-chains 1141 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 72 poor density : 1069 time to evaluate : 10.045 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A1 residue 215 LEU Chi-restraints excluded: chain A2 residue 54 ARG Chi-restraints excluded: chain A2 residue 97 LYS Chi-restraints excluded: chain A4 residue 63 ASN Chi-restraints excluded: chain A4 residue 200 ASP Chi-restraints excluded: chain A5 residue 215 LEU Chi-restraints excluded: chain A7 residue 63 ASN Chi-restraints excluded: chain A7 residue 200 ASP Chi-restraints excluded: chain A8 residue 54 ARG Chi-restraints excluded: chain A8 residue 97 LYS Chi-restraints excluded: chain A9 residue 63 ASN Chi-restraints excluded: chain A9 residue 200 ASP Chi-restraints excluded: chain AA residue 54 ARG Chi-restraints excluded: chain AA residue 97 LYS Chi-restraints excluded: chain AC residue 215 LEU Chi-restraints excluded: chain AD residue 63 ASN Chi-restraints excluded: chain AD residue 200 ASP Chi-restraints excluded: chain AF residue 63 ASN Chi-restraints excluded: chain AF residue 200 ASP Chi-restraints excluded: chain AG residue 63 ASN Chi-restraints excluded: chain AG residue 200 ASP Chi-restraints excluded: chain AH residue 215 LEU Chi-restraints excluded: chain AI residue 54 ARG Chi-restraints excluded: chain AI residue 97 LYS Chi-restraints excluded: chain AK residue 215 LEU Chi-restraints excluded: chain AL residue 63 ASN Chi-restraints excluded: chain AL residue 200 ASP Chi-restraints excluded: chain AM residue 54 ARG Chi-restraints excluded: chain AM residue 97 LYS Chi-restraints excluded: chain AN residue 215 LEU Chi-restraints excluded: chain AR residue 215 LEU Chi-restraints excluded: chain AS residue 54 ARG Chi-restraints excluded: chain AS residue 97 LYS Chi-restraints excluded: chain AT residue 63 ASN Chi-restraints excluded: chain AT residue 200 ASP Chi-restraints excluded: chain AU residue 215 LEU Chi-restraints excluded: chain AV residue 215 LEU Chi-restraints excluded: chain AX residue 215 LEU Chi-restraints excluded: chain AZ residue 215 LEU Chi-restraints excluded: chain Aa residue 215 LEU Chi-restraints excluded: chain Ab residue 63 ASN Chi-restraints excluded: chain Ab residue 200 ASP Chi-restraints excluded: chain Ac residue 63 ASN Chi-restraints excluded: chain Ac residue 200 ASP Chi-restraints excluded: chain Ad residue 54 ARG Chi-restraints excluded: chain Ad residue 97 LYS Chi-restraints excluded: chain Ae residue 215 LEU Chi-restraints excluded: chain Af residue 215 LEU Chi-restraints excluded: chain Ag residue 54 ARG Chi-restraints excluded: chain Ag residue 97 LYS Chi-restraints excluded: chain Ah residue 54 ARG Chi-restraints excluded: chain Ah residue 97 LYS Chi-restraints excluded: chain Ai residue 54 ARG Chi-restraints excluded: chain Ai residue 97 LYS Chi-restraints excluded: chain Aj residue 215 LEU Chi-restraints excluded: chain Al residue 215 LEU Chi-restraints excluded: chain Am residue 54 ARG Chi-restraints excluded: chain Am residue 97 LYS Chi-restraints excluded: chain An residue 215 LEU Chi-restraints excluded: chain Ao residue 215 LEU Chi-restraints excluded: chain Ap residue 215 LEU Chi-restraints excluded: chain Aq residue 63 ASN Chi-restraints excluded: chain Aq residue 200 ASP Chi-restraints excluded: chain Ar residue 54 ARG Chi-restraints excluded: chain Ar residue 97 LYS Chi-restraints excluded: chain As residue 215 LEU Chi-restraints excluded: chain Au residue 215 LEU Chi-restraints excluded: chain Av residue 215 LEU Chi-restraints excluded: chain Aw residue 63 ASN Chi-restraints excluded: chain Aw residue 200 ASP Chi-restraints excluded: chain Ax residue 215 LEU Chi-restraints excluded: chain Ay residue 215 LEU Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1255 optimal weight: 4.9990 chunk 855 optimal weight: 9.9990 chunk 21 optimal weight: 6.9990 chunk 1122 optimal weight: 0.0470 chunk 622 optimal weight: 3.9990 chunk 1286 optimal weight: 6.9990 chunk 1042 optimal weight: 9.9990 chunk 1 optimal weight: 0.8980 chunk 769 optimal weight: 0.6980 chunk 1353 optimal weight: 2.9990 chunk 380 optimal weight: 2.9990 overall best weight: 1.5282 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A1 2 ASN A2 225 GLN A3 2 ASN A4 196 ASN A5 2 ASN A6 2 ASN A7 196 ASN A8 225 GLN A9 196 ASN AA 225 GLN AB 2 ASN AC 196 ASN AC 225 GLN AD 196 ASN AE 2 ASN AF 196 ASN AG 196 ASN AH 196 ASN AH 225 GLN AI 225 GLN AJ 2 ASN AK 196 ASN AK 225 GLN AL 196 ASN AM 225 GLN AN 196 ASN AN 225 GLN AO 2 ASN AP 2 ASN AQ 2 ASN AR 196 ASN AR 225 GLN AS 225 GLN AT 196 ASN AU 196 ASN AU 225 GLN AV 2 ASN AW 2 ASN AX 2 ASN AY 2 ASN AZ 2 ASN Aa 196 ASN Aa 225 GLN Ab 196 ASN Ac 196 ASN Ad 225 GLN Ae 196 ASN Ae 225 GLN Af 2 ASN Ag 225 GLN Ah 225 GLN Ai 225 GLN Aj 2 ASN Ak 2 ASN Al 196 ASN Al 225 GLN Am 225 GLN An 2 ASN Ao 2 ASN Ap 2 ASN Aq 196 ASN Ar 225 GLN As 196 ASN As 225 GLN At 2 ASN Au 196 ASN Au 225 GLN Av 2 ASN Aw 196 ASN Ax 2 ASN Ay 196 ASN Ay 225 GLN Total number of N/Q/H flips: 72 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8542 moved from start: 0.2029 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.025 124440 Z= 0.167 Angle : 0.442 4.664 169680 Z= 0.233 Chirality : 0.041 0.130 19800 Planarity : 0.003 0.027 22200 Dihedral : 3.960 13.404 17460 Min Nonbonded Distance : 2.166 Molprobity Statistics. All-atom Clashscore : 3.55 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.52 % Favored : 98.48 % Rotamer: Outliers : 1.47 % Allowed : 14.40 % Favored : 84.13 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % 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: 1.66 (0.07), residues: 15780 helix: 2.00 (0.07), residues: 5400 sheet: 0.42 (0.08), residues: 4500 loop : 1.01 (0.09), residues: 5880 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRPA4 16 HIS 0.002 0.001 HISAV 237 PHE 0.010 0.001 PHEAM 120 TYR 0.004 0.001 TYRAq 178 ARG 0.002 0.000 ARGAK 35 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1285 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 192 poor density : 1093 time to evaluate : 10.384 Fit side-chains REVERT: A2 54 ARG cc_start: 0.8322 (OUTLIER) cc_final: 0.7749 (mtt180) REVERT: A2 97 LYS cc_start: 0.8854 (OUTLIER) cc_final: 0.8441 (mtmm) REVERT: A8 54 ARG cc_start: 0.8322 (OUTLIER) cc_final: 0.7749 (mtt180) REVERT: A8 97 LYS cc_start: 0.8854 (OUTLIER) cc_final: 0.8440 (mtmm) REVERT: AA 54 ARG cc_start: 0.8322 (OUTLIER) cc_final: 0.7749 (mtt180) REVERT: AA 97 LYS cc_start: 0.8854 (OUTLIER) cc_final: 0.8441 (mtmm) REVERT: AI 54 ARG cc_start: 0.8330 (OUTLIER) cc_final: 0.7757 (mtt180) REVERT: AI 97 LYS cc_start: 0.8843 (OUTLIER) cc_final: 0.8438 (mtmm) REVERT: AM 54 ARG cc_start: 0.8330 (OUTLIER) cc_final: 0.7757 (mtt180) REVERT: AM 97 LYS cc_start: 0.8843 (OUTLIER) cc_final: 0.8439 (mtmm) REVERT: AS 54 ARG cc_start: 0.8323 (OUTLIER) cc_final: 0.7752 (mtt180) REVERT: AS 97 LYS cc_start: 0.8850 (OUTLIER) cc_final: 0.8442 (mtmm) REVERT: Ad 54 ARG cc_start: 0.8330 (OUTLIER) cc_final: 0.7757 (mtt180) REVERT: Ad 97 LYS cc_start: 0.8843 (OUTLIER) cc_final: 0.8439 (mtmm) REVERT: Ag 54 ARG cc_start: 0.8323 (OUTLIER) cc_final: 0.7752 (mtt180) REVERT: Ag 97 LYS cc_start: 0.8850 (OUTLIER) cc_final: 0.8442 (mtmm) REVERT: Ah 54 ARG cc_start: 0.8329 (OUTLIER) cc_final: 0.7756 (mtt180) REVERT: Ah 97 LYS cc_start: 0.8846 (OUTLIER) cc_final: 0.8439 (mtmm) REVERT: Ai 54 ARG cc_start: 0.8329 (OUTLIER) cc_final: 0.7756 (mtt180) REVERT: Ai 97 LYS cc_start: 0.8846 (OUTLIER) cc_final: 0.8439 (mtmm) REVERT: Am 54 ARG cc_start: 0.8324 (OUTLIER) cc_final: 0.7752 (mtt180) REVERT: Am 97 LYS cc_start: 0.8850 (OUTLIER) cc_final: 0.8442 (mtmm) REVERT: Ar 54 ARG cc_start: 0.8329 (OUTLIER) cc_final: 0.7756 (mtt180) REVERT: Ar 97 LYS cc_start: 0.8846 (OUTLIER) cc_final: 0.8439 (mtmm) outliers start: 192 outliers final: 72 residues processed: 1273 average time/residue: 2.0728 time to fit residues: 3572.3590 Evaluate side-chains 1165 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 96 poor density : 1069 time to evaluate : 9.068 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A1 residue 215 LEU Chi-restraints excluded: chain A2 residue 54 ARG Chi-restraints excluded: chain A2 residue 97 LYS Chi-restraints excluded: chain A2 residue 152 VAL Chi-restraints excluded: chain A4 residue 63 ASN Chi-restraints excluded: chain A4 residue 200 ASP Chi-restraints excluded: chain A5 residue 215 LEU Chi-restraints excluded: chain A7 residue 63 ASN Chi-restraints excluded: chain A7 residue 200 ASP Chi-restraints excluded: chain A8 residue 54 ARG Chi-restraints excluded: chain A8 residue 97 LYS Chi-restraints excluded: chain A8 residue 152 VAL Chi-restraints excluded: chain A9 residue 63 ASN Chi-restraints excluded: chain A9 residue 200 ASP Chi-restraints excluded: chain AA residue 54 ARG Chi-restraints excluded: chain AA residue 97 LYS Chi-restraints excluded: chain AA residue 152 VAL Chi-restraints excluded: chain AC residue 116 ASP Chi-restraints excluded: chain AC residue 215 LEU Chi-restraints excluded: chain AD residue 63 ASN Chi-restraints excluded: chain AD residue 200 ASP Chi-restraints excluded: chain AF residue 63 ASN Chi-restraints excluded: chain AF residue 200 ASP Chi-restraints excluded: chain AG residue 63 ASN Chi-restraints excluded: chain AG residue 200 ASP Chi-restraints excluded: chain AH residue 116 ASP Chi-restraints excluded: chain AH residue 215 LEU Chi-restraints excluded: chain AI residue 54 ARG Chi-restraints excluded: chain AI residue 97 LYS Chi-restraints excluded: chain AI residue 152 VAL Chi-restraints excluded: chain AK residue 116 ASP Chi-restraints excluded: chain AK residue 215 LEU Chi-restraints excluded: chain AL residue 63 ASN Chi-restraints excluded: chain AL residue 200 ASP Chi-restraints excluded: chain AM residue 54 ARG Chi-restraints excluded: chain AM residue 97 LYS Chi-restraints excluded: chain AM residue 152 VAL Chi-restraints excluded: chain AN residue 116 ASP Chi-restraints excluded: chain AN residue 215 LEU Chi-restraints excluded: chain AR residue 116 ASP Chi-restraints excluded: chain AR residue 215 LEU Chi-restraints excluded: chain AS residue 54 ARG Chi-restraints excluded: chain AS residue 97 LYS Chi-restraints excluded: chain AS residue 152 VAL Chi-restraints excluded: chain AT residue 63 ASN Chi-restraints excluded: chain AT residue 200 ASP Chi-restraints excluded: chain AU residue 116 ASP Chi-restraints excluded: chain AU residue 215 LEU Chi-restraints excluded: chain AV residue 215 LEU Chi-restraints excluded: chain AX residue 215 LEU Chi-restraints excluded: chain AZ residue 215 LEU Chi-restraints excluded: chain Aa residue 116 ASP Chi-restraints excluded: chain Aa residue 215 LEU Chi-restraints excluded: chain Ab residue 63 ASN Chi-restraints excluded: chain Ab residue 200 ASP Chi-restraints excluded: chain Ac residue 63 ASN Chi-restraints excluded: chain Ac residue 200 ASP Chi-restraints excluded: chain Ad residue 54 ARG Chi-restraints excluded: chain Ad residue 97 LYS Chi-restraints excluded: chain Ad residue 152 VAL Chi-restraints excluded: chain Ae residue 116 ASP Chi-restraints excluded: chain Ae residue 215 LEU Chi-restraints excluded: chain Af residue 215 LEU Chi-restraints excluded: chain Ag residue 54 ARG Chi-restraints excluded: chain Ag residue 97 LYS Chi-restraints excluded: chain Ag residue 152 VAL Chi-restraints excluded: chain Ah residue 54 ARG Chi-restraints excluded: chain Ah residue 97 LYS Chi-restraints excluded: chain Ah residue 152 VAL Chi-restraints excluded: chain Ai residue 54 ARG Chi-restraints excluded: chain Ai residue 97 LYS Chi-restraints excluded: chain Ai residue 152 VAL Chi-restraints excluded: chain Aj residue 215 LEU Chi-restraints excluded: chain Al residue 116 ASP Chi-restraints excluded: chain Al residue 215 LEU Chi-restraints excluded: chain Am residue 54 ARG Chi-restraints excluded: chain Am residue 97 LYS Chi-restraints excluded: chain Am residue 152 VAL Chi-restraints excluded: chain An residue 215 LEU Chi-restraints excluded: chain Ao residue 215 LEU Chi-restraints excluded: chain Ap residue 215 LEU Chi-restraints excluded: chain Aq residue 63 ASN Chi-restraints excluded: chain Aq residue 200 ASP Chi-restraints excluded: chain Ar residue 54 ARG Chi-restraints excluded: chain Ar residue 97 LYS Chi-restraints excluded: chain Ar residue 152 VAL Chi-restraints excluded: chain As residue 116 ASP Chi-restraints excluded: chain As residue 215 LEU Chi-restraints excluded: chain Au residue 116 ASP Chi-restraints excluded: chain Au residue 215 LEU Chi-restraints excluded: chain Av residue 215 LEU Chi-restraints excluded: chain Aw residue 63 ASN Chi-restraints excluded: chain Aw residue 200 ASP Chi-restraints excluded: chain Ax residue 215 LEU Chi-restraints excluded: chain Ay residue 116 ASP Chi-restraints excluded: chain Ay residue 215 LEU Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 507 optimal weight: 0.0670 chunk 1357 optimal weight: 9.9990 chunk 298 optimal weight: 1.9990 chunk 885 optimal weight: 0.5980 chunk 372 optimal weight: 5.9990 chunk 1509 optimal weight: 1.9990 chunk 1252 optimal weight: 4.9990 chunk 698 optimal weight: 8.9990 chunk 125 optimal weight: 10.0000 chunk 499 optimal weight: 9.9990 chunk 792 optimal weight: 6.9990 overall best weight: 1.9324 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A1 2 ASN A3 2 ASN A4 196 ASN A5 2 ASN A6 2 ASN A7 196 ASN A9 196 ASN AB 2 ASN AC 196 ASN AD 196 ASN AE 2 ASN AF 196 ASN AG 196 ASN AH 196 ASN AJ 2 ASN AK 196 ASN AL 196 ASN AN 196 ASN AO 2 ASN AP 2 ASN AQ 2 ASN AR 196 ASN AT 196 ASN AU 196 ASN AV 2 ASN AW 2 ASN AX 2 ASN AY 2 ASN AZ 2 ASN Aa 196 ASN Ab 196 ASN Ac 196 ASN Ae 196 ASN Af 2 ASN Aj 2 ASN Ak 2 ASN Al 196 ASN An 2 ASN Ao 2 ASN Ap 2 ASN Aq 196 ASN As 196 ASN At 2 ASN Au 196 ASN Av 2 ASN Aw 196 ASN Ax 2 ASN Ay 196 ASN Total number of N/Q/H flips: 48 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8553 moved from start: 0.2047 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.027 124440 Z= 0.193 Angle : 0.451 4.657 169680 Z= 0.239 Chirality : 0.042 0.130 19800 Planarity : 0.003 0.027 22200 Dihedral : 4.038 13.640 17460 Min Nonbonded Distance : 2.158 Molprobity Statistics. All-atom Clashscore : 3.64 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.14 % Favored : 98.86 % Rotamer: Outliers : 1.74 % Allowed : 14.68 % Favored : 83.58 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % 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: 1.70 (0.07), residues: 15780 helix: 1.98 (0.07), residues: 5400 sheet: 0.52 (0.08), residues: 4440 loop : 1.03 (0.09), residues: 5940 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.004 0.001 TRPAM 101 HIS 0.003 0.001 HISAj 237 PHE 0.011 0.001 PHEAA 120 TYR 0.005 0.001 TYRAk 5 ARG 0.002 0.000 ARGAN 35 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1333 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 228 poor density : 1105 time to evaluate : 10.189 Fit side-chains REVERT: A2 54 ARG cc_start: 0.8317 (OUTLIER) cc_final: 0.7751 (mtt180) REVERT: A2 97 LYS cc_start: 0.8857 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: A2 116 ASP cc_start: 0.7562 (OUTLIER) cc_final: 0.7311 (m-30) REVERT: A8 54 ARG cc_start: 0.8317 (OUTLIER) cc_final: 0.7750 (mtt180) REVERT: A8 97 LYS cc_start: 0.8857 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: A8 116 ASP cc_start: 0.7562 (OUTLIER) cc_final: 0.7311 (m-30) REVERT: AA 54 ARG cc_start: 0.8317 (OUTLIER) cc_final: 0.7751 (mtt180) REVERT: AA 97 LYS cc_start: 0.8857 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: AA 116 ASP cc_start: 0.7562 (OUTLIER) cc_final: 0.7311 (m-30) REVERT: AC 105 LYS cc_start: 0.8225 (OUTLIER) cc_final: 0.8022 (mtpt) REVERT: AH 105 LYS cc_start: 0.8223 (OUTLIER) cc_final: 0.8019 (mtpt) REVERT: AI 54 ARG cc_start: 0.8323 (OUTLIER) cc_final: 0.7757 (mtt180) REVERT: AI 97 LYS cc_start: 0.8848 (OUTLIER) cc_final: 0.8443 (mtmm) REVERT: AI 116 ASP cc_start: 0.7568 (OUTLIER) cc_final: 0.7317 (m-30) REVERT: AM 54 ARG cc_start: 0.8323 (OUTLIER) cc_final: 0.7757 (mtt180) REVERT: AM 97 LYS cc_start: 0.8848 (OUTLIER) cc_final: 0.8443 (mtmm) REVERT: AM 116 ASP cc_start: 0.7568 (OUTLIER) cc_final: 0.7317 (m-30) REVERT: AS 54 ARG cc_start: 0.8319 (OUTLIER) cc_final: 0.7753 (mtt180) REVERT: AS 97 LYS cc_start: 0.8852 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: AS 116 ASP cc_start: 0.7558 (OUTLIER) cc_final: 0.7307 (m-30) REVERT: Aa 105 LYS cc_start: 0.8223 (OUTLIER) cc_final: 0.8019 (mtpt) REVERT: Ad 54 ARG cc_start: 0.8324 (OUTLIER) cc_final: 0.7757 (mtt180) REVERT: Ad 97 LYS cc_start: 0.8848 (OUTLIER) cc_final: 0.8443 (mtmm) REVERT: Ad 116 ASP cc_start: 0.7568 (OUTLIER) cc_final: 0.7317 (m-30) REVERT: Ae 105 LYS cc_start: 0.8223 (OUTLIER) cc_final: 0.8019 (mtpt) REVERT: Ag 54 ARG cc_start: 0.8320 (OUTLIER) cc_final: 0.7753 (mtt180) REVERT: Ag 97 LYS cc_start: 0.8852 (OUTLIER) cc_final: 0.8445 (mtmm) REVERT: Ag 116 ASP cc_start: 0.7558 (OUTLIER) cc_final: 0.7307 (m-30) REVERT: Ah 54 ARG cc_start: 0.8324 (OUTLIER) cc_final: 0.7759 (mtt180) REVERT: Ah 97 LYS cc_start: 0.8850 (OUTLIER) cc_final: 0.8444 (mtmm) REVERT: Ah 116 ASP cc_start: 0.7561 (OUTLIER) cc_final: 0.7314 (m-30) REVERT: Ai 54 ARG cc_start: 0.8324 (OUTLIER) cc_final: 0.7758 (mtt180) REVERT: Ai 97 LYS cc_start: 0.8850 (OUTLIER) cc_final: 0.8444 (mtmm) REVERT: Ai 116 ASP cc_start: 0.7561 (OUTLIER) cc_final: 0.7314 (m-30) REVERT: Am 54 ARG cc_start: 0.8319 (OUTLIER) cc_final: 0.7753 (mtt180) REVERT: Am 97 LYS cc_start: 0.8852 (OUTLIER) cc_final: 0.8445 (mtmm) REVERT: Am 116 ASP cc_start: 0.7558 (OUTLIER) cc_final: 0.7307 (m-30) REVERT: Ar 54 ARG cc_start: 0.8324 (OUTLIER) cc_final: 0.7758 (mtt180) REVERT: Ar 97 LYS cc_start: 0.8850 (OUTLIER) cc_final: 0.8444 (mtmm) REVERT: Ar 116 ASP cc_start: 0.7561 (OUTLIER) cc_final: 0.7314 (m-30) REVERT: As 105 LYS cc_start: 0.8224 (OUTLIER) cc_final: 0.8021 (mtpt) REVERT: Ay 105 LYS cc_start: 0.8224 (OUTLIER) cc_final: 0.8021 (mtpt) outliers start: 228 outliers final: 72 residues processed: 1297 average time/residue: 2.1195 time to fit residues: 3707.2751 Evaluate side-chains 1195 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 114 poor density : 1081 time to evaluate : 10.097 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A1 residue 215 LEU Chi-restraints excluded: chain A2 residue 54 ARG Chi-restraints excluded: chain A2 residue 97 LYS Chi-restraints excluded: chain A2 residue 116 ASP Chi-restraints excluded: chain A2 residue 152 VAL Chi-restraints excluded: chain A4 residue 63 ASN Chi-restraints excluded: chain A5 residue 215 LEU Chi-restraints excluded: chain A7 residue 63 ASN Chi-restraints excluded: chain A8 residue 54 ARG Chi-restraints excluded: chain A8 residue 97 LYS Chi-restraints excluded: chain A8 residue 116 ASP Chi-restraints excluded: chain A8 residue 152 VAL Chi-restraints excluded: chain A9 residue 63 ASN Chi-restraints excluded: chain AA residue 54 ARG Chi-restraints excluded: chain AA residue 97 LYS Chi-restraints excluded: chain AA residue 116 ASP Chi-restraints excluded: chain AA residue 152 VAL Chi-restraints excluded: chain AC residue 21 LEU Chi-restraints excluded: chain AC residue 105 LYS Chi-restraints excluded: chain AC residue 116 ASP Chi-restraints excluded: chain AC residue 215 LEU Chi-restraints excluded: chain AD residue 63 ASN Chi-restraints excluded: chain AF residue 63 ASN Chi-restraints excluded: chain AG residue 63 ASN Chi-restraints excluded: chain AH residue 21 LEU Chi-restraints excluded: chain AH residue 105 LYS Chi-restraints excluded: chain AH residue 116 ASP Chi-restraints excluded: chain AH residue 215 LEU Chi-restraints excluded: chain AI residue 54 ARG Chi-restraints excluded: chain AI residue 97 LYS Chi-restraints excluded: chain AI residue 116 ASP Chi-restraints excluded: chain AI residue 152 VAL Chi-restraints excluded: chain AK residue 21 LEU Chi-restraints excluded: chain AK residue 116 ASP Chi-restraints excluded: chain AK residue 215 LEU Chi-restraints excluded: chain AL residue 63 ASN Chi-restraints excluded: chain AM residue 54 ARG Chi-restraints excluded: chain AM residue 97 LYS Chi-restraints excluded: chain AM residue 116 ASP Chi-restraints excluded: chain AM residue 152 VAL Chi-restraints excluded: chain AN residue 21 LEU Chi-restraints excluded: chain AN residue 116 ASP Chi-restraints excluded: chain AN residue 215 LEU Chi-restraints excluded: chain AR residue 21 LEU Chi-restraints excluded: chain AR residue 116 ASP Chi-restraints excluded: chain AR residue 215 LEU Chi-restraints excluded: chain AS residue 54 ARG Chi-restraints excluded: chain AS residue 97 LYS Chi-restraints excluded: chain AS residue 116 ASP Chi-restraints excluded: chain AS residue 152 VAL Chi-restraints excluded: chain AT residue 63 ASN Chi-restraints excluded: chain AU residue 21 LEU Chi-restraints excluded: chain AU residue 116 ASP Chi-restraints excluded: chain AU residue 215 LEU Chi-restraints excluded: chain AV residue 215 LEU Chi-restraints excluded: chain AX residue 215 LEU Chi-restraints excluded: chain AZ residue 215 LEU Chi-restraints excluded: chain Aa residue 21 LEU Chi-restraints excluded: chain Aa residue 105 LYS Chi-restraints excluded: chain Aa residue 116 ASP Chi-restraints excluded: chain Aa residue 215 LEU Chi-restraints excluded: chain Ab residue 63 ASN Chi-restraints excluded: chain Ac residue 63 ASN Chi-restraints excluded: chain Ad residue 54 ARG Chi-restraints excluded: chain Ad residue 97 LYS Chi-restraints excluded: chain Ad residue 116 ASP Chi-restraints excluded: chain Ad residue 152 VAL Chi-restraints excluded: chain Ae residue 21 LEU Chi-restraints excluded: chain Ae residue 105 LYS Chi-restraints excluded: chain Ae residue 116 ASP Chi-restraints excluded: chain Ae residue 215 LEU Chi-restraints excluded: chain Af residue 215 LEU Chi-restraints excluded: chain Ag residue 54 ARG Chi-restraints excluded: chain Ag residue 97 LYS Chi-restraints excluded: chain Ag residue 116 ASP Chi-restraints excluded: chain Ag residue 152 VAL Chi-restraints excluded: chain Ah residue 54 ARG Chi-restraints excluded: chain Ah residue 97 LYS Chi-restraints excluded: chain Ah residue 116 ASP Chi-restraints excluded: chain Ah residue 152 VAL Chi-restraints excluded: chain Ai residue 54 ARG Chi-restraints excluded: chain Ai residue 97 LYS Chi-restraints excluded: chain Ai residue 116 ASP Chi-restraints excluded: chain Ai residue 152 VAL Chi-restraints excluded: chain Aj residue 215 LEU Chi-restraints excluded: chain Al residue 21 LEU Chi-restraints excluded: chain Al residue 116 ASP Chi-restraints excluded: chain Al residue 215 LEU Chi-restraints excluded: chain Am residue 54 ARG Chi-restraints excluded: chain Am residue 97 LYS Chi-restraints excluded: chain Am residue 116 ASP Chi-restraints excluded: chain Am residue 152 VAL Chi-restraints excluded: chain An residue 215 LEU Chi-restraints excluded: chain Ao residue 215 LEU Chi-restraints excluded: chain Ap residue 215 LEU Chi-restraints excluded: chain Aq residue 63 ASN Chi-restraints excluded: chain Ar residue 54 ARG Chi-restraints excluded: chain Ar residue 97 LYS Chi-restraints excluded: chain Ar residue 116 ASP Chi-restraints excluded: chain Ar residue 152 VAL Chi-restraints excluded: chain As residue 21 LEU Chi-restraints excluded: chain As residue 105 LYS Chi-restraints excluded: chain As residue 116 ASP Chi-restraints excluded: chain As residue 215 LEU Chi-restraints excluded: chain Au residue 21 LEU Chi-restraints excluded: chain Au residue 116 ASP Chi-restraints excluded: chain Au residue 215 LEU Chi-restraints excluded: chain Av residue 215 LEU Chi-restraints excluded: chain Aw residue 63 ASN Chi-restraints excluded: chain Ax residue 215 LEU Chi-restraints excluded: chain Ay residue 21 LEU Chi-restraints excluded: chain Ay residue 105 LYS Chi-restraints excluded: chain Ay residue 116 ASP Chi-restraints excluded: chain Ay residue 215 LEU Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1455 optimal weight: 0.7980 chunk 170 optimal weight: 10.0000 chunk 859 optimal weight: 2.9990 chunk 1102 optimal weight: 1.9990 chunk 854 optimal weight: 7.9990 chunk 1270 optimal weight: 6.9990 chunk 842 optimal weight: 0.9980 chunk 1503 optimal weight: 1.9990 chunk 940 optimal weight: 1.9990 chunk 916 optimal weight: 5.9990 chunk 694 optimal weight: 9.9990 overall best weight: 1.5586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A1 2 ASN A3 2 ASN A4 196 ASN A5 2 ASN A6 2 ASN A7 196 ASN A9 196 ASN AB 2 ASN AC 196 ASN AD 196 ASN AE 2 ASN AF 196 ASN AG 196 ASN AJ 2 ASN AK 196 ASN AL 196 ASN AO 2 ASN AP 2 ASN AQ 2 ASN AR 196 ASN AT 196 ASN AU 196 ASN AV 2 ASN AW 2 ASN AX 2 ASN AY 2 ASN AZ 2 ASN Aa 196 ASN Ab 196 ASN Ac 196 ASN Af 2 ASN Aj 2 ASN Ak 2 ASN Al 196 ASN An 2 ASN Ao 2 ASN Ap 2 ASN Aq 196 ASN At 2 ASN Au 196 ASN Av 2 ASN Aw 196 ASN Ax 2 ASN Ay 196 ASN Total number of N/Q/H flips: 44 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8542 moved from start: 0.2114 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.023 124440 Z= 0.164 Angle : 0.438 4.634 169680 Z= 0.231 Chirality : 0.041 0.129 19800 Planarity : 0.003 0.027 22200 Dihedral : 3.923 13.354 17460 Min Nonbonded Distance : 2.166 Molprobity Statistics. All-atom Clashscore : 3.31 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.52 % Favored : 98.48 % Rotamer: Outliers : 1.38 % Allowed : 15.58 % Favored : 83.04 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.73 (0.07), residues: 15780 helix: 2.05 (0.07), residues: 5400 sheet: 0.44 (0.08), residues: 4500 loop : 1.09 (0.09), residues: 5880 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRPA2 101 HIS 0.003 0.001 HISAj 237 PHE 0.010 0.001 PHEAi 120 TYR 0.004 0.001 TYRAk 5 ARG 0.001 0.000 ARGAN 35 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1345 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 180 poor density : 1165 time to evaluate : 10.245 Fit side-chains REVERT: A2 54 ARG cc_start: 0.8318 (OUTLIER) cc_final: 0.7753 (mtt180) REVERT: A2 97 LYS cc_start: 0.8858 (OUTLIER) cc_final: 0.8444 (mtmm) REVERT: A2 116 ASP cc_start: 0.7548 (OUTLIER) cc_final: 0.7300 (m-30) REVERT: A8 54 ARG cc_start: 0.8318 (OUTLIER) cc_final: 0.7753 (mtt180) REVERT: A8 97 LYS cc_start: 0.8858 (OUTLIER) cc_final: 0.8444 (mtmm) REVERT: A8 116 ASP cc_start: 0.7548 (OUTLIER) cc_final: 0.7300 (m-30) REVERT: AA 54 ARG cc_start: 0.8318 (OUTLIER) cc_final: 0.7754 (mtt180) REVERT: AA 97 LYS cc_start: 0.8856 (OUTLIER) cc_final: 0.8444 (mtmm) REVERT: AA 116 ASP cc_start: 0.7548 (OUTLIER) cc_final: 0.7300 (m-30) REVERT: AC 105 LYS cc_start: 0.8202 (OUTLIER) cc_final: 0.7992 (mtpt) REVERT: AH 105 LYS cc_start: 0.8199 (OUTLIER) cc_final: 0.7988 (mtpt) REVERT: AI 54 ARG cc_start: 0.8324 (OUTLIER) cc_final: 0.7761 (mtt180) REVERT: AI 97 LYS cc_start: 0.8846 (OUTLIER) cc_final: 0.8441 (mtmm) REVERT: AI 116 ASP cc_start: 0.7555 (OUTLIER) cc_final: 0.7308 (m-30) REVERT: AM 54 ARG cc_start: 0.8324 (OUTLIER) cc_final: 0.7761 (mtt180) REVERT: AM 97 LYS cc_start: 0.8848 (OUTLIER) cc_final: 0.8444 (mtmm) REVERT: AM 116 ASP cc_start: 0.7555 (OUTLIER) cc_final: 0.7308 (m-30) REVERT: AS 54 ARG cc_start: 0.8322 (OUTLIER) cc_final: 0.7757 (mtt180) REVERT: AS 97 LYS cc_start: 0.8853 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: AS 116 ASP cc_start: 0.7546 (OUTLIER) cc_final: 0.7294 (m-30) REVERT: Aa 105 LYS cc_start: 0.8199 (OUTLIER) cc_final: 0.7988 (mtpt) REVERT: Ad 54 ARG cc_start: 0.8324 (OUTLIER) cc_final: 0.7761 (mtt180) REVERT: Ad 97 LYS cc_start: 0.8847 (OUTLIER) cc_final: 0.8444 (mtmm) REVERT: Ad 116 ASP cc_start: 0.7555 (OUTLIER) cc_final: 0.7308 (m-30) REVERT: Ae 105 LYS cc_start: 0.8199 (OUTLIER) cc_final: 0.7988 (mtpt) REVERT: Ag 54 ARG cc_start: 0.8322 (OUTLIER) cc_final: 0.7757 (mtt180) REVERT: Ag 97 LYS cc_start: 0.8853 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: Ag 116 ASP cc_start: 0.7547 (OUTLIER) cc_final: 0.7295 (m-30) REVERT: Ah 54 ARG cc_start: 0.8326 (OUTLIER) cc_final: 0.7760 (mtt180) REVERT: Ah 97 LYS cc_start: 0.8851 (OUTLIER) cc_final: 0.8445 (mtmm) REVERT: Ah 105 LYS cc_start: 0.8407 (mptt) cc_final: 0.8205 (mppt) REVERT: Ah 116 ASP cc_start: 0.7548 (OUTLIER) cc_final: 0.7302 (m-30) REVERT: Ai 54 ARG cc_start: 0.8327 (OUTLIER) cc_final: 0.7760 (mtt180) REVERT: Ai 97 LYS cc_start: 0.8851 (OUTLIER) cc_final: 0.8445 (mtmm) REVERT: Ai 105 LYS cc_start: 0.8407 (mptt) cc_final: 0.8205 (mppt) REVERT: Ai 116 ASP cc_start: 0.7548 (OUTLIER) cc_final: 0.7302 (m-30) REVERT: Am 54 ARG cc_start: 0.8322 (OUTLIER) cc_final: 0.7757 (mtt180) REVERT: Am 97 LYS cc_start: 0.8853 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: Am 116 ASP cc_start: 0.7546 (OUTLIER) cc_final: 0.7294 (m-30) REVERT: Ar 54 ARG cc_start: 0.8327 (OUTLIER) cc_final: 0.7760 (mtt180) REVERT: Ar 97 LYS cc_start: 0.8851 (OUTLIER) cc_final: 0.8445 (mtmm) REVERT: Ar 105 LYS cc_start: 0.8407 (mptt) cc_final: 0.8206 (mppt) REVERT: Ar 116 ASP cc_start: 0.7548 (OUTLIER) cc_final: 0.7302 (m-30) REVERT: As 105 LYS cc_start: 0.8200 (OUTLIER) cc_final: 0.7990 (mtpt) REVERT: Ay 105 LYS cc_start: 0.8200 (OUTLIER) cc_final: 0.7990 (mtpt) outliers start: 180 outliers final: 78 residues processed: 1315 average time/residue: 2.1981 time to fit residues: 3860.8974 Evaluate side-chains 1192 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 120 poor density : 1072 time to evaluate : 10.259 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A1 residue 215 LEU Chi-restraints excluded: chain A2 residue 54 ARG Chi-restraints excluded: chain A2 residue 97 LYS Chi-restraints excluded: chain A2 residue 116 ASP Chi-restraints excluded: chain A2 residue 152 VAL Chi-restraints excluded: chain A3 residue 200 ASP Chi-restraints excluded: chain A4 residue 63 ASN Chi-restraints excluded: chain A5 residue 215 LEU Chi-restraints excluded: chain A6 residue 200 ASP Chi-restraints excluded: chain A7 residue 63 ASN Chi-restraints excluded: chain A8 residue 54 ARG Chi-restraints excluded: chain A8 residue 97 LYS Chi-restraints excluded: chain A8 residue 116 ASP Chi-restraints excluded: chain A8 residue 152 VAL Chi-restraints excluded: chain A9 residue 63 ASN Chi-restraints excluded: chain AA residue 54 ARG Chi-restraints excluded: chain AA residue 97 LYS Chi-restraints excluded: chain AA residue 116 ASP Chi-restraints excluded: chain AA residue 152 VAL Chi-restraints excluded: chain AB residue 200 ASP Chi-restraints excluded: chain AC residue 105 LYS Chi-restraints excluded: chain AC residue 116 ASP Chi-restraints excluded: chain AC residue 215 LEU Chi-restraints excluded: chain AD residue 63 ASN Chi-restraints excluded: chain AE residue 200 ASP Chi-restraints excluded: chain AF residue 63 ASN Chi-restraints excluded: chain AG residue 63 ASN Chi-restraints excluded: chain AH residue 105 LYS Chi-restraints excluded: chain AH residue 116 ASP Chi-restraints excluded: chain AH residue 215 LEU Chi-restraints excluded: chain AI residue 54 ARG Chi-restraints excluded: chain AI residue 97 LYS Chi-restraints excluded: chain AI residue 116 ASP Chi-restraints excluded: chain AI residue 152 VAL Chi-restraints excluded: chain AJ residue 200 ASP Chi-restraints excluded: chain AK residue 21 LEU Chi-restraints excluded: chain AK residue 116 ASP Chi-restraints excluded: chain AK residue 215 LEU Chi-restraints excluded: chain AL residue 63 ASN Chi-restraints excluded: chain AM residue 54 ARG Chi-restraints excluded: chain AM residue 97 LYS Chi-restraints excluded: chain AM residue 116 ASP Chi-restraints excluded: chain AM residue 152 VAL Chi-restraints excluded: chain AN residue 21 LEU Chi-restraints excluded: chain AN residue 116 ASP Chi-restraints excluded: chain AN residue 215 LEU Chi-restraints excluded: chain AO residue 200 ASP Chi-restraints excluded: chain AP residue 200 ASP Chi-restraints excluded: chain AQ residue 200 ASP Chi-restraints excluded: chain AR residue 21 LEU Chi-restraints excluded: chain AR residue 116 ASP Chi-restraints excluded: chain AR residue 215 LEU Chi-restraints excluded: chain AS residue 54 ARG Chi-restraints excluded: chain AS residue 97 LYS Chi-restraints excluded: chain AS residue 116 ASP Chi-restraints excluded: chain AS residue 152 VAL Chi-restraints excluded: chain AT residue 63 ASN Chi-restraints excluded: chain AU residue 21 LEU Chi-restraints excluded: chain AU residue 116 ASP Chi-restraints excluded: chain AU residue 215 LEU Chi-restraints excluded: chain AV residue 215 LEU Chi-restraints excluded: chain AW residue 200 ASP Chi-restraints excluded: chain AX residue 215 LEU Chi-restraints excluded: chain AY residue 200 ASP Chi-restraints excluded: chain AZ residue 215 LEU Chi-restraints excluded: chain Aa residue 105 LYS Chi-restraints excluded: chain Aa residue 116 ASP Chi-restraints excluded: chain Aa residue 215 LEU Chi-restraints excluded: chain Ab residue 63 ASN Chi-restraints excluded: chain Ac residue 63 ASN Chi-restraints excluded: chain Ad residue 54 ARG Chi-restraints excluded: chain Ad residue 97 LYS Chi-restraints excluded: chain Ad residue 116 ASP Chi-restraints excluded: chain Ad residue 152 VAL Chi-restraints excluded: chain Ae residue 105 LYS Chi-restraints excluded: chain Ae residue 116 ASP Chi-restraints excluded: chain Ae residue 215 LEU Chi-restraints excluded: chain Af residue 215 LEU Chi-restraints excluded: chain Ag residue 54 ARG Chi-restraints excluded: chain Ag residue 97 LYS Chi-restraints excluded: chain Ag residue 116 ASP Chi-restraints excluded: chain Ag residue 152 VAL Chi-restraints excluded: chain Ah residue 54 ARG Chi-restraints excluded: chain Ah residue 97 LYS Chi-restraints excluded: chain Ah residue 116 ASP Chi-restraints excluded: chain Ah residue 152 VAL Chi-restraints excluded: chain Ai residue 54 ARG Chi-restraints excluded: chain Ai residue 97 LYS Chi-restraints excluded: chain Ai residue 116 ASP Chi-restraints excluded: chain Ai residue 152 VAL Chi-restraints excluded: chain Aj residue 215 LEU Chi-restraints excluded: chain Ak residue 200 ASP Chi-restraints excluded: chain Al residue 21 LEU Chi-restraints excluded: chain Al residue 116 ASP Chi-restraints excluded: chain Al residue 215 LEU Chi-restraints excluded: chain Am residue 54 ARG Chi-restraints excluded: chain Am residue 97 LYS Chi-restraints excluded: chain Am residue 116 ASP Chi-restraints excluded: chain Am residue 152 VAL Chi-restraints excluded: chain An residue 215 LEU Chi-restraints excluded: chain Ao residue 215 LEU Chi-restraints excluded: chain Ap residue 215 LEU Chi-restraints excluded: chain Aq residue 63 ASN Chi-restraints excluded: chain Ar residue 54 ARG Chi-restraints excluded: chain Ar residue 97 LYS Chi-restraints excluded: chain Ar residue 116 ASP Chi-restraints excluded: chain Ar residue 152 VAL Chi-restraints excluded: chain As residue 105 LYS Chi-restraints excluded: chain As residue 116 ASP Chi-restraints excluded: chain As residue 215 LEU Chi-restraints excluded: chain At residue 200 ASP Chi-restraints excluded: chain Au residue 21 LEU Chi-restraints excluded: chain Au residue 116 ASP Chi-restraints excluded: chain Au residue 215 LEU Chi-restraints excluded: chain Av residue 215 LEU Chi-restraints excluded: chain Aw residue 63 ASN Chi-restraints excluded: chain Ax residue 215 LEU Chi-restraints excluded: chain Ay residue 105 LYS Chi-restraints excluded: chain Ay residue 116 ASP Chi-restraints excluded: chain Ay residue 215 LEU Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 930 optimal weight: 4.9990 chunk 600 optimal weight: 1.9990 chunk 898 optimal weight: 7.9990 chunk 452 optimal weight: 1.9990 chunk 295 optimal weight: 9.9990 chunk 291 optimal weight: 10.0000 chunk 955 optimal weight: 3.9990 chunk 1024 optimal weight: 3.9990 chunk 743 optimal weight: 1.9990 chunk 140 optimal weight: 0.9990 chunk 1181 optimal weight: 5.9990 overall best weight: 2.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A3 2 ASN A4 196 ASN A6 2 ASN A7 196 ASN A9 196 ASN AB 2 ASN AC 196 ASN AD 196 ASN AE 2 ASN AF 196 ASN AG 196 ASN AJ 2 ASN AK 196 ASN AL 196 ASN AO 2 ASN AP 2 ASN AQ 2 ASN AR 196 ASN AT 196 ASN AU 196 ASN AW 2 ASN AY 2 ASN Aa 196 ASN Ab 196 ASN Ac 196 ASN Ae 196 ASN Ak 2 ASN Al 196 ASN Aq 196 ASN As 196 ASN At 2 ASN Au 196 ASN Aw 196 ASN Ay 196 ASN Total number of N/Q/H flips: 34 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8560 moved from start: 0.2097 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.031 124440 Z= 0.216 Angle : 0.463 4.687 169680 Z= 0.244 Chirality : 0.042 0.130 19800 Planarity : 0.003 0.027 22200 Dihedral : 4.088 13.815 17460 Min Nonbonded Distance : 2.156 Molprobity Statistics. All-atom Clashscore : 3.71 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.08 % Favored : 98.92 % Rotamer: Outliers : 1.25 % Allowed : 15.99 % Favored : 82.76 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % 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: 1.68 (0.07), residues: 15780 helix: 1.92 (0.07), residues: 5400 sheet: 0.50 (0.08), residues: 4440 loop : 1.06 (0.09), residues: 5940 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.004 0.001 TRPAr 101 HIS 0.003 0.001 HISAj 237 PHE 0.011 0.002 PHEAk 120 TYR 0.005 0.001 TYRA3 5 ARG 0.002 0.000 ARGAb 79 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1230 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 163 poor density : 1067 time to evaluate : 10.375 Fit side-chains REVERT: A2 54 ARG cc_start: 0.8315 (OUTLIER) cc_final: 0.7756 (mtt180) REVERT: A2 97 LYS cc_start: 0.8863 (OUTLIER) cc_final: 0.8456 (mtmm) REVERT: A2 116 ASP cc_start: 0.7581 (OUTLIER) cc_final: 0.7320 (m-30) REVERT: A6 97 LYS cc_start: 0.8770 (OUTLIER) cc_final: 0.8531 (mtmt) REVERT: A8 54 ARG cc_start: 0.8315 (OUTLIER) cc_final: 0.7756 (mtt180) REVERT: A8 97 LYS cc_start: 0.8864 (OUTLIER) cc_final: 0.8456 (mtmm) REVERT: A8 116 ASP cc_start: 0.7581 (OUTLIER) cc_final: 0.7320 (m-30) REVERT: AA 54 ARG cc_start: 0.8315 (OUTLIER) cc_final: 0.7756 (mtt180) REVERT: AA 97 LYS cc_start: 0.8863 (OUTLIER) cc_final: 0.8456 (mtmm) REVERT: AA 116 ASP cc_start: 0.7581 (OUTLIER) cc_final: 0.7320 (m-30) REVERT: AC 105 LYS cc_start: 0.8251 (OUTLIER) cc_final: 0.8037 (mtpt) REVERT: AH 105 LYS cc_start: 0.8245 (OUTLIER) cc_final: 0.8033 (mtpt) REVERT: AI 54 ARG cc_start: 0.8320 (OUTLIER) cc_final: 0.7765 (mtt180) REVERT: AI 97 LYS cc_start: 0.8854 (OUTLIER) cc_final: 0.8453 (mtmm) REVERT: AI 116 ASP cc_start: 0.7586 (OUTLIER) cc_final: 0.7326 (m-30) REVERT: AM 54 ARG cc_start: 0.8320 (OUTLIER) cc_final: 0.7765 (mtt180) REVERT: AM 97 LYS cc_start: 0.8854 (OUTLIER) cc_final: 0.8453 (mtmm) REVERT: AM 116 ASP cc_start: 0.7586 (OUTLIER) cc_final: 0.7326 (m-30) REVERT: AS 54 ARG cc_start: 0.8318 (OUTLIER) cc_final: 0.7761 (mtt180) REVERT: AS 97 LYS cc_start: 0.8860 (OUTLIER) cc_final: 0.8455 (mtmm) REVERT: AS 116 ASP cc_start: 0.7579 (OUTLIER) cc_final: 0.7316 (m-30) REVERT: Aa 105 LYS cc_start: 0.8245 (OUTLIER) cc_final: 0.8033 (mtpt) REVERT: Ad 54 ARG cc_start: 0.8320 (OUTLIER) cc_final: 0.7765 (mtt180) REVERT: Ad 97 LYS cc_start: 0.8854 (OUTLIER) cc_final: 0.8453 (mtmm) REVERT: Ad 116 ASP cc_start: 0.7586 (OUTLIER) cc_final: 0.7326 (m-30) REVERT: Ae 105 LYS cc_start: 0.8245 (OUTLIER) cc_final: 0.8032 (mtpt) REVERT: Ag 54 ARG cc_start: 0.8318 (OUTLIER) cc_final: 0.7761 (mtt180) REVERT: Ag 97 LYS cc_start: 0.8861 (OUTLIER) cc_final: 0.8455 (mtmm) REVERT: Ag 116 ASP cc_start: 0.7579 (OUTLIER) cc_final: 0.7316 (m-30) REVERT: Ah 54 ARG cc_start: 0.8322 (OUTLIER) cc_final: 0.7763 (mtt180) REVERT: Ah 97 LYS cc_start: 0.8857 (OUTLIER) cc_final: 0.8456 (mtmm) REVERT: Ah 116 ASP cc_start: 0.7579 (OUTLIER) cc_final: 0.7321 (m-30) REVERT: Ai 54 ARG cc_start: 0.8323 (OUTLIER) cc_final: 0.7763 (mtt180) REVERT: Ai 97 LYS cc_start: 0.8858 (OUTLIER) cc_final: 0.8456 (mtmm) REVERT: Ai 116 ASP cc_start: 0.7579 (OUTLIER) cc_final: 0.7321 (m-30) REVERT: Am 54 ARG cc_start: 0.8318 (OUTLIER) cc_final: 0.7761 (mtt180) REVERT: Am 97 LYS cc_start: 0.8860 (OUTLIER) cc_final: 0.8455 (mtmm) REVERT: Am 116 ASP cc_start: 0.7578 (OUTLIER) cc_final: 0.7315 (m-30) REVERT: Ar 54 ARG cc_start: 0.8322 (OUTLIER) cc_final: 0.7763 (mtt180) REVERT: Ar 97 LYS cc_start: 0.8857 (OUTLIER) cc_final: 0.8456 (mtmm) REVERT: Ar 116 ASP cc_start: 0.7579 (OUTLIER) cc_final: 0.7321 (m-30) REVERT: As 105 LYS cc_start: 0.8249 (OUTLIER) cc_final: 0.8035 (mtpt) REVERT: Ay 105 LYS cc_start: 0.8249 (OUTLIER) cc_final: 0.8035 (mtpt) outliers start: 163 outliers final: 81 residues processed: 1208 average time/residue: 2.2769 time to fit residues: 3697.1518 Evaluate side-chains 1192 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 124 poor density : 1068 time to evaluate : 10.134 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A1 residue 215 LEU Chi-restraints excluded: chain A2 residue 54 ARG Chi-restraints excluded: chain A2 residue 97 LYS Chi-restraints excluded: chain A2 residue 116 ASP Chi-restraints excluded: chain A2 residue 152 VAL Chi-restraints excluded: chain A3 residue 200 ASP Chi-restraints excluded: chain A4 residue 63 ASN Chi-restraints excluded: chain A5 residue 215 LEU Chi-restraints excluded: chain A6 residue 97 LYS Chi-restraints excluded: chain A6 residue 200 ASP Chi-restraints excluded: chain A7 residue 63 ASN Chi-restraints excluded: chain A8 residue 54 ARG Chi-restraints excluded: chain A8 residue 97 LYS Chi-restraints excluded: chain A8 residue 116 ASP Chi-restraints excluded: chain A8 residue 152 VAL Chi-restraints excluded: chain A9 residue 63 ASN Chi-restraints excluded: chain AA residue 54 ARG Chi-restraints excluded: chain AA residue 97 LYS Chi-restraints excluded: chain AA residue 116 ASP Chi-restraints excluded: chain AA residue 152 VAL Chi-restraints excluded: chain AB residue 200 ASP Chi-restraints excluded: chain AC residue 21 LEU Chi-restraints excluded: chain AC residue 105 LYS Chi-restraints excluded: chain AC residue 116 ASP Chi-restraints excluded: chain AC residue 215 LEU Chi-restraints excluded: chain AD residue 63 ASN Chi-restraints excluded: chain AE residue 200 ASP Chi-restraints excluded: chain AF residue 63 ASN Chi-restraints excluded: chain AG residue 63 ASN Chi-restraints excluded: chain AH residue 105 LYS Chi-restraints excluded: chain AH residue 116 ASP Chi-restraints excluded: chain AH residue 215 LEU Chi-restraints excluded: chain AI residue 54 ARG Chi-restraints excluded: chain AI residue 97 LYS Chi-restraints excluded: chain AI residue 116 ASP Chi-restraints excluded: chain AI residue 152 VAL Chi-restraints excluded: chain AJ residue 200 ASP Chi-restraints excluded: chain AK residue 21 LEU Chi-restraints excluded: chain AK residue 116 ASP Chi-restraints excluded: chain AK residue 215 LEU Chi-restraints excluded: chain AL residue 63 ASN Chi-restraints excluded: chain AM residue 54 ARG Chi-restraints excluded: chain AM residue 97 LYS Chi-restraints excluded: chain AM residue 116 ASP Chi-restraints excluded: chain AM residue 152 VAL Chi-restraints excluded: chain AN residue 21 LEU Chi-restraints excluded: chain AN residue 116 ASP Chi-restraints excluded: chain AN residue 215 LEU Chi-restraints excluded: chain AO residue 200 ASP Chi-restraints excluded: chain AP residue 200 ASP Chi-restraints excluded: chain AQ residue 200 ASP Chi-restraints excluded: chain AR residue 21 LEU Chi-restraints excluded: chain AR residue 116 ASP Chi-restraints excluded: chain AR residue 215 LEU Chi-restraints excluded: chain AS residue 54 ARG Chi-restraints excluded: chain AS residue 97 LYS Chi-restraints excluded: chain AS residue 116 ASP Chi-restraints excluded: chain AS residue 152 VAL Chi-restraints excluded: chain AT residue 63 ASN Chi-restraints excluded: chain AU residue 21 LEU Chi-restraints excluded: chain AU residue 116 ASP Chi-restraints excluded: chain AU residue 215 LEU Chi-restraints excluded: chain AV residue 215 LEU Chi-restraints excluded: chain AW residue 200 ASP Chi-restraints excluded: chain AX residue 215 LEU Chi-restraints excluded: chain AY residue 200 ASP Chi-restraints excluded: chain AZ residue 215 LEU Chi-restraints excluded: chain Aa residue 105 LYS Chi-restraints excluded: chain Aa residue 116 ASP Chi-restraints excluded: chain Aa residue 215 LEU Chi-restraints excluded: chain Ab residue 63 ASN Chi-restraints excluded: chain Ac residue 63 ASN Chi-restraints excluded: chain Ad residue 54 ARG Chi-restraints excluded: chain Ad residue 97 LYS Chi-restraints excluded: chain Ad residue 116 ASP Chi-restraints excluded: chain Ad residue 152 VAL Chi-restraints excluded: chain Ae residue 105 LYS Chi-restraints excluded: chain Ae residue 116 ASP Chi-restraints excluded: chain Ae residue 215 LEU Chi-restraints excluded: chain Af residue 215 LEU Chi-restraints excluded: chain Ag residue 54 ARG Chi-restraints excluded: chain Ag residue 97 LYS Chi-restraints excluded: chain Ag residue 116 ASP Chi-restraints excluded: chain Ag residue 152 VAL Chi-restraints excluded: chain Ah residue 54 ARG Chi-restraints excluded: chain Ah residue 97 LYS Chi-restraints excluded: chain Ah residue 116 ASP Chi-restraints excluded: chain Ah residue 152 VAL Chi-restraints excluded: chain Ai residue 54 ARG Chi-restraints excluded: chain Ai residue 97 LYS Chi-restraints excluded: chain Ai residue 116 ASP Chi-restraints excluded: chain Ai residue 152 VAL Chi-restraints excluded: chain Aj residue 215 LEU Chi-restraints excluded: chain Ak residue 200 ASP Chi-restraints excluded: chain Al residue 21 LEU Chi-restraints excluded: chain Al residue 116 ASP Chi-restraints excluded: chain Al residue 215 LEU Chi-restraints excluded: chain Am residue 54 ARG Chi-restraints excluded: chain Am residue 97 LYS Chi-restraints excluded: chain Am residue 116 ASP Chi-restraints excluded: chain Am residue 152 VAL Chi-restraints excluded: chain An residue 215 LEU Chi-restraints excluded: chain Ao residue 215 LEU Chi-restraints excluded: chain Ap residue 215 LEU Chi-restraints excluded: chain Aq residue 63 ASN Chi-restraints excluded: chain Ar residue 54 ARG Chi-restraints excluded: chain Ar residue 97 LYS Chi-restraints excluded: chain Ar residue 116 ASP Chi-restraints excluded: chain Ar residue 152 VAL Chi-restraints excluded: chain As residue 21 LEU Chi-restraints excluded: chain As residue 105 LYS Chi-restraints excluded: chain As residue 116 ASP Chi-restraints excluded: chain As residue 215 LEU Chi-restraints excluded: chain At residue 200 ASP Chi-restraints excluded: chain Au residue 21 LEU Chi-restraints excluded: chain Au residue 116 ASP Chi-restraints excluded: chain Au residue 215 LEU Chi-restraints excluded: chain Av residue 215 LEU Chi-restraints excluded: chain Aw residue 63 ASN Chi-restraints excluded: chain Ax residue 215 LEU Chi-restraints excluded: chain Ay residue 21 LEU Chi-restraints excluded: chain Ay residue 105 LYS Chi-restraints excluded: chain Ay residue 116 ASP Chi-restraints excluded: chain Ay residue 215 LEU Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1367 optimal weight: 0.9990 chunk 1440 optimal weight: 2.9990 chunk 1314 optimal weight: 8.9990 chunk 1401 optimal weight: 3.9990 chunk 843 optimal weight: 8.9990 chunk 610 optimal weight: 6.9990 chunk 1100 optimal weight: 0.9990 chunk 429 optimal weight: 10.0000 chunk 1266 optimal weight: 9.9990 chunk 1325 optimal weight: 0.8980 chunk 1396 optimal weight: 7.9990 overall best weight: 1.9788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A3 2 ASN A4 196 ASN A6 2 ASN A7 196 ASN A9 196 ASN AB 2 ASN AC 196 ASN AD 196 ASN AE 2 ASN AF 196 ASN AG 196 ASN AJ 2 ASN AK 196 ASN AL 196 ASN AN 196 ASN AO 2 ASN AP 2 ASN AQ 2 ASN AR 196 ASN AT 196 ASN AU 196 ASN AW 2 ASN AY 2 ASN Aa 196 ASN Ab 196 ASN Ac 196 ASN Ae 196 ASN Ak 2 ASN Al 196 ASN Aq 196 ASN As 196 ASN At 2 ASN Au 196 ASN Aw 196 ASN Ay 196 ASN Total number of N/Q/H flips: 35 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8555 moved from start: 0.2115 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.029 124440 Z= 0.198 Angle : 0.455 4.696 169680 Z= 0.240 Chirality : 0.042 0.129 19800 Planarity : 0.003 0.027 22200 Dihedral : 4.033 13.597 17460 Min Nonbonded Distance : 2.164 Molprobity Statistics. All-atom Clashscore : 3.68 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.32 % Favored : 98.68 % Rotamer: Outliers : 1.67 % Allowed : 15.57 % Favored : 82.77 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % 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: 1.66 (0.07), residues: 15780 helix: 1.95 (0.07), residues: 5400 sheet: 0.41 (0.08), residues: 4500 loop : 1.10 (0.09), residues: 5880 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRPAJ 16 HIS 0.003 0.001 HISAy 237 PHE 0.011 0.001 PHEAB 120 TYR 0.004 0.001 TYRAt 5 ARG 0.002 0.000 ARGAG 79 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1302 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 218 poor density : 1084 time to evaluate : 10.283 Fit side-chains REVERT: A2 54 ARG cc_start: 0.8321 (OUTLIER) cc_final: 0.7781 (mtt180) REVERT: A2 97 LYS cc_start: 0.8865 (OUTLIER) cc_final: 0.8447 (mtmm) REVERT: A2 116 ASP cc_start: 0.7582 (OUTLIER) cc_final: 0.7321 (m-30) REVERT: A8 54 ARG cc_start: 0.8320 (OUTLIER) cc_final: 0.7781 (mtt180) REVERT: A8 97 LYS cc_start: 0.8865 (OUTLIER) cc_final: 0.8448 (mtmm) REVERT: A8 116 ASP cc_start: 0.7582 (OUTLIER) cc_final: 0.7321 (m-30) REVERT: AA 54 ARG cc_start: 0.8320 (OUTLIER) cc_final: 0.7781 (mtt180) REVERT: AA 97 LYS cc_start: 0.8865 (OUTLIER) cc_final: 0.8448 (mtmm) REVERT: AA 116 ASP cc_start: 0.7582 (OUTLIER) cc_final: 0.7321 (m-30) REVERT: AC 105 LYS cc_start: 0.8215 (OUTLIER) cc_final: 0.8002 (mtpt) REVERT: AH 105 LYS cc_start: 0.8214 (OUTLIER) cc_final: 0.7999 (mtpt) REVERT: AI 54 ARG cc_start: 0.8328 (OUTLIER) cc_final: 0.7790 (mtt180) REVERT: AI 97 LYS cc_start: 0.8855 (OUTLIER) cc_final: 0.8445 (mtmm) REVERT: AI 116 ASP cc_start: 0.7590 (OUTLIER) cc_final: 0.7325 (m-30) REVERT: AM 54 ARG cc_start: 0.8328 (OUTLIER) cc_final: 0.7790 (mtt180) REVERT: AM 97 LYS cc_start: 0.8855 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: AM 116 ASP cc_start: 0.7589 (OUTLIER) cc_final: 0.7325 (m-30) REVERT: AS 54 ARG cc_start: 0.8324 (OUTLIER) cc_final: 0.7786 (mtt180) REVERT: AS 97 LYS cc_start: 0.8860 (OUTLIER) cc_final: 0.8448 (mtmm) REVERT: AS 116 ASP cc_start: 0.7579 (OUTLIER) cc_final: 0.7316 (m-30) REVERT: Aa 105 LYS cc_start: 0.8214 (OUTLIER) cc_final: 0.7999 (mtpt) REVERT: Ad 54 ARG cc_start: 0.8327 (OUTLIER) cc_final: 0.7790 (mtt180) REVERT: Ad 97 LYS cc_start: 0.8855 (OUTLIER) cc_final: 0.8445 (mtmm) REVERT: Ad 116 ASP cc_start: 0.7590 (OUTLIER) cc_final: 0.7325 (m-30) REVERT: Ae 105 LYS cc_start: 0.8214 (OUTLIER) cc_final: 0.7998 (mtpt) REVERT: Ag 54 ARG cc_start: 0.8323 (OUTLIER) cc_final: 0.7786 (mtt180) REVERT: Ag 97 LYS cc_start: 0.8860 (OUTLIER) cc_final: 0.8448 (mtmm) REVERT: Ag 116 ASP cc_start: 0.7579 (OUTLIER) cc_final: 0.7316 (m-30) REVERT: Ah 54 ARG cc_start: 0.8327 (OUTLIER) cc_final: 0.7789 (mtt180) REVERT: Ah 97 LYS cc_start: 0.8861 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: Ah 116 ASP cc_start: 0.7581 (OUTLIER) cc_final: 0.7327 (m-30) REVERT: Ai 54 ARG cc_start: 0.8328 (OUTLIER) cc_final: 0.7789 (mtt180) REVERT: Ai 97 LYS cc_start: 0.8861 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: Ai 116 ASP cc_start: 0.7581 (OUTLIER) cc_final: 0.7327 (m-30) REVERT: Am 54 ARG cc_start: 0.8324 (OUTLIER) cc_final: 0.7786 (mtt180) REVERT: Am 97 LYS cc_start: 0.8860 (OUTLIER) cc_final: 0.8448 (mtmm) REVERT: Am 116 ASP cc_start: 0.7579 (OUTLIER) cc_final: 0.7316 (m-30) REVERT: Ar 54 ARG cc_start: 0.8327 (OUTLIER) cc_final: 0.7789 (mtt180) REVERT: Ar 97 LYS cc_start: 0.8861 (OUTLIER) cc_final: 0.8446 (mtmm) REVERT: Ar 116 ASP cc_start: 0.7581 (OUTLIER) cc_final: 0.7327 (m-30) REVERT: As 105 LYS cc_start: 0.8213 (OUTLIER) cc_final: 0.7999 (mtpt) REVERT: Ay 105 LYS cc_start: 0.8213 (OUTLIER) cc_final: 0.8000 (mtpt) outliers start: 218 outliers final: 93 residues processed: 1249 average time/residue: 2.1900 time to fit residues: 3669.4940 Evaluate side-chains 1219 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 135 poor density : 1084 time to evaluate : 10.056 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A1 residue 215 LEU Chi-restraints excluded: chain A2 residue 54 ARG Chi-restraints excluded: chain A2 residue 97 LYS Chi-restraints excluded: chain A2 residue 116 ASP Chi-restraints excluded: chain A2 residue 152 VAL Chi-restraints excluded: chain A3 residue 180 LYS Chi-restraints excluded: chain A3 residue 200 ASP Chi-restraints excluded: chain A4 residue 63 ASN Chi-restraints excluded: chain A5 residue 215 LEU Chi-restraints excluded: chain A6 residue 180 LYS Chi-restraints excluded: chain A6 residue 200 ASP Chi-restraints excluded: chain A7 residue 63 ASN Chi-restraints excluded: chain A8 residue 54 ARG Chi-restraints excluded: chain A8 residue 97 LYS Chi-restraints excluded: chain A8 residue 116 ASP Chi-restraints excluded: chain A8 residue 152 VAL Chi-restraints excluded: chain A9 residue 63 ASN Chi-restraints excluded: chain AA residue 54 ARG Chi-restraints excluded: chain AA residue 97 LYS Chi-restraints excluded: chain AA residue 116 ASP Chi-restraints excluded: chain AA residue 152 VAL Chi-restraints excluded: chain AB residue 180 LYS Chi-restraints excluded: chain AB residue 200 ASP Chi-restraints excluded: chain AC residue 105 LYS Chi-restraints excluded: chain AC residue 116 ASP Chi-restraints excluded: chain AC residue 215 LEU Chi-restraints excluded: chain AD residue 63 ASN Chi-restraints excluded: chain AE residue 180 LYS Chi-restraints excluded: chain AE residue 200 ASP Chi-restraints excluded: chain AF residue 63 ASN Chi-restraints excluded: chain AG residue 63 ASN Chi-restraints excluded: chain AH residue 21 LEU Chi-restraints excluded: chain AH residue 105 LYS Chi-restraints excluded: chain AH residue 116 ASP Chi-restraints excluded: chain AH residue 215 LEU Chi-restraints excluded: chain AI residue 54 ARG Chi-restraints excluded: chain AI residue 97 LYS Chi-restraints excluded: chain AI residue 116 ASP Chi-restraints excluded: chain AI residue 152 VAL Chi-restraints excluded: chain AJ residue 180 LYS Chi-restraints excluded: chain AJ residue 200 ASP Chi-restraints excluded: chain AK residue 21 LEU Chi-restraints excluded: chain AK residue 116 ASP Chi-restraints excluded: chain AK residue 215 LEU Chi-restraints excluded: chain AL residue 63 ASN Chi-restraints excluded: chain AM residue 54 ARG Chi-restraints excluded: chain AM residue 97 LYS Chi-restraints excluded: chain AM residue 116 ASP Chi-restraints excluded: chain AM residue 152 VAL Chi-restraints excluded: chain AN residue 21 LEU Chi-restraints excluded: chain AN residue 116 ASP Chi-restraints excluded: chain AN residue 215 LEU Chi-restraints excluded: chain AO residue 180 LYS Chi-restraints excluded: chain AO residue 200 ASP Chi-restraints excluded: chain AP residue 180 LYS Chi-restraints excluded: chain AP residue 200 ASP Chi-restraints excluded: chain AQ residue 180 LYS Chi-restraints excluded: chain AQ residue 200 ASP Chi-restraints excluded: chain AR residue 21 LEU Chi-restraints excluded: chain AR residue 116 ASP Chi-restraints excluded: chain AR residue 215 LEU Chi-restraints excluded: chain AS residue 54 ARG Chi-restraints excluded: chain AS residue 97 LYS Chi-restraints excluded: chain AS residue 116 ASP Chi-restraints excluded: chain AS residue 152 VAL Chi-restraints excluded: chain AT residue 63 ASN Chi-restraints excluded: chain AU residue 21 LEU Chi-restraints excluded: chain AU residue 116 ASP Chi-restraints excluded: chain AU residue 215 LEU Chi-restraints excluded: chain AV residue 215 LEU Chi-restraints excluded: chain AW residue 180 LYS Chi-restraints excluded: chain AW residue 200 ASP Chi-restraints excluded: chain AX residue 215 LEU Chi-restraints excluded: chain AY residue 180 LYS Chi-restraints excluded: chain AY residue 200 ASP Chi-restraints excluded: chain AZ residue 215 LEU Chi-restraints excluded: chain Aa residue 21 LEU Chi-restraints excluded: chain Aa residue 105 LYS Chi-restraints excluded: chain Aa residue 116 ASP Chi-restraints excluded: chain Aa residue 215 LEU Chi-restraints excluded: chain Ab residue 63 ASN Chi-restraints excluded: chain Ac residue 63 ASN Chi-restraints excluded: chain Ad residue 54 ARG Chi-restraints excluded: chain Ad residue 97 LYS Chi-restraints excluded: chain Ad residue 116 ASP Chi-restraints excluded: chain Ad residue 152 VAL Chi-restraints excluded: chain Ae residue 21 LEU Chi-restraints excluded: chain Ae residue 105 LYS Chi-restraints excluded: chain Ae residue 116 ASP Chi-restraints excluded: chain Ae residue 215 LEU Chi-restraints excluded: chain Af residue 215 LEU Chi-restraints excluded: chain Ag residue 54 ARG Chi-restraints excluded: chain Ag residue 97 LYS Chi-restraints excluded: chain Ag residue 116 ASP Chi-restraints excluded: chain Ag residue 152 VAL Chi-restraints excluded: chain Ah residue 54 ARG Chi-restraints excluded: chain Ah residue 97 LYS Chi-restraints excluded: chain Ah residue 116 ASP Chi-restraints excluded: chain Ah residue 152 VAL Chi-restraints excluded: chain Ai residue 54 ARG Chi-restraints excluded: chain Ai residue 97 LYS Chi-restraints excluded: chain Ai residue 116 ASP Chi-restraints excluded: chain Ai residue 152 VAL Chi-restraints excluded: chain Aj residue 215 LEU Chi-restraints excluded: chain Ak residue 180 LYS Chi-restraints excluded: chain Ak residue 200 ASP Chi-restraints excluded: chain Al residue 21 LEU Chi-restraints excluded: chain Al residue 116 ASP Chi-restraints excluded: chain Al residue 215 LEU Chi-restraints excluded: chain Am residue 54 ARG Chi-restraints excluded: chain Am residue 97 LYS Chi-restraints excluded: chain Am residue 116 ASP Chi-restraints excluded: chain Am residue 152 VAL Chi-restraints excluded: chain An residue 215 LEU Chi-restraints excluded: chain Ao residue 215 LEU Chi-restraints excluded: chain Ap residue 215 LEU Chi-restraints excluded: chain Aq residue 63 ASN Chi-restraints excluded: chain Ar residue 54 ARG Chi-restraints excluded: chain Ar residue 97 LYS Chi-restraints excluded: chain Ar residue 116 ASP Chi-restraints excluded: chain Ar residue 152 VAL Chi-restraints excluded: chain As residue 105 LYS Chi-restraints excluded: chain As residue 116 ASP Chi-restraints excluded: chain As residue 215 LEU Chi-restraints excluded: chain At residue 180 LYS Chi-restraints excluded: chain At residue 200 ASP Chi-restraints excluded: chain Au residue 21 LEU Chi-restraints excluded: chain Au residue 116 ASP Chi-restraints excluded: chain Au residue 215 LEU Chi-restraints excluded: chain Av residue 215 LEU Chi-restraints excluded: chain Aw residue 63 ASN Chi-restraints excluded: chain Ax residue 215 LEU Chi-restraints excluded: chain Ay residue 105 LYS Chi-restraints excluded: chain Ay residue 116 ASP Chi-restraints excluded: chain Ay residue 215 LEU Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 920 optimal weight: 0.7980 chunk 1481 optimal weight: 5.9990 chunk 904 optimal weight: 8.9990 chunk 702 optimal weight: 2.9990 chunk 1029 optimal weight: 1.9990 chunk 1554 optimal weight: 4.9990 chunk 1430 optimal weight: 1.9990 chunk 1237 optimal weight: 1.9990 chunk 128 optimal weight: 1.9990 chunk 955 optimal weight: 0.9990 chunk 758 optimal weight: 0.5980 overall best weight: 1.2786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A1 2 ASN A3 2 ASN A4 196 ASN A5 2 ASN A6 2 ASN A7 196 ASN A9 196 ASN AB 2 ASN AC 2 ASN AC 196 ASN AD 196 ASN AE 2 ASN AF 196 ASN AG 196 ASN AH 2 ASN AJ 2 ASN AK 2 ASN AK 196 ASN AL 196 ASN AN 2 ASN AN 196 ASN AO 2 ASN AP 2 ASN AQ 2 ASN AR 2 ASN AR 196 ASN AT 196 ASN AU 2 ASN AU 196 ASN AV 2 ASN AW 2 ASN AX 2 ASN AY 2 ASN AZ 2 ASN Aa 2 ASN Aa 196 ASN Ab 196 ASN Ac 196 ASN Ae 2 ASN Ae 196 ASN Af 2 ASN Aj 2 ASN Ak 2 ASN Al 2 ASN Al 196 ASN An 2 ASN Ao 2 ASN Ap 2 ASN Aq 196 ASN As 2 ASN As 196 ASN At 2 ASN Au 2 ASN Au 196 ASN Av 2 ASN Aw 196 ASN Ax 2 ASN Ay 2 ASN Ay 196 ASN Total number of N/Q/H flips: 59 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8532 moved from start: 0.2196 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.023 124440 Z= 0.147 Angle : 0.431 4.621 169680 Z= 0.227 Chirality : 0.041 0.127 19800 Planarity : 0.003 0.027 22200 Dihedral : 3.823 13.168 17460 Min Nonbonded Distance : 2.176 Molprobity Statistics. All-atom Clashscore : 3.50 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.20 % Favored : 98.80 % Rotamer: Outliers : 1.31 % Allowed : 15.95 % Favored : 82.74 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % 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: 1.77 (0.07), residues: 15780 helix: 2.08 (0.07), residues: 5400 sheet: 0.44 (0.08), residues: 4500 loop : 1.13 (0.09), residues: 5880 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.001 TRPAQ 16 HIS 0.004 0.001 HISAh 237 PHE 0.009 0.001 PHEAb 120 TYR 0.004 0.001 TYRAT 178 ARG 0.001 0.000 ARGAl 35 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1318 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 171 poor density : 1147 time to evaluate : 10.256 Fit side-chains REVERT: A2 54 ARG cc_start: 0.8310 (OUTLIER) cc_final: 0.7769 (mtt180) REVERT: A2 97 LYS cc_start: 0.8853 (OUTLIER) cc_final: 0.8456 (mtmm) REVERT: A2 116 ASP cc_start: 0.7568 (OUTLIER) cc_final: 0.7327 (m-30) REVERT: A8 54 ARG cc_start: 0.8310 (OUTLIER) cc_final: 0.7769 (mtt180) REVERT: A8 97 LYS cc_start: 0.8853 (OUTLIER) cc_final: 0.8456 (mtmm) REVERT: A8 116 ASP cc_start: 0.7568 (OUTLIER) cc_final: 0.7327 (m-30) REVERT: AA 54 ARG cc_start: 0.8310 (OUTLIER) cc_final: 0.7769 (mtt180) REVERT: AA 97 LYS cc_start: 0.8853 (OUTLIER) cc_final: 0.8456 (mtmm) REVERT: AA 116 ASP cc_start: 0.7568 (OUTLIER) cc_final: 0.7327 (m-30) REVERT: AC 105 LYS cc_start: 0.8204 (OUTLIER) cc_final: 0.7993 (mtpt) REVERT: AH 105 LYS cc_start: 0.8202 (OUTLIER) cc_final: 0.7990 (mtpt) REVERT: AI 54 ARG cc_start: 0.8316 (OUTLIER) cc_final: 0.7779 (mtt180) REVERT: AI 97 LYS cc_start: 0.8843 (OUTLIER) cc_final: 0.8453 (mtmm) REVERT: AI 116 ASP cc_start: 0.7574 (OUTLIER) cc_final: 0.7333 (m-30) REVERT: AM 54 ARG cc_start: 0.8316 (OUTLIER) cc_final: 0.7779 (mtt180) REVERT: AM 97 LYS cc_start: 0.8844 (OUTLIER) cc_final: 0.8454 (mtmm) REVERT: AM 116 ASP cc_start: 0.7574 (OUTLIER) cc_final: 0.7333 (m-30) REVERT: AS 54 ARG cc_start: 0.8313 (OUTLIER) cc_final: 0.7773 (mtt180) REVERT: AS 97 LYS cc_start: 0.8849 (OUTLIER) cc_final: 0.8456 (mtmm) REVERT: AS 116 ASP cc_start: 0.7566 (OUTLIER) cc_final: 0.7325 (m-30) REVERT: Aa 105 LYS cc_start: 0.8201 (OUTLIER) cc_final: 0.7990 (mtpt) REVERT: Ad 54 ARG cc_start: 0.8316 (OUTLIER) cc_final: 0.7779 (mtt180) REVERT: Ad 97 LYS cc_start: 0.8843 (OUTLIER) cc_final: 0.8454 (mtmm) REVERT: Ad 116 ASP cc_start: 0.7574 (OUTLIER) cc_final: 0.7333 (m-30) REVERT: Ae 105 LYS cc_start: 0.8201 (OUTLIER) cc_final: 0.7991 (mtpt) REVERT: Ag 54 ARG cc_start: 0.8313 (OUTLIER) cc_final: 0.7773 (mtt180) REVERT: Ag 97 LYS cc_start: 0.8849 (OUTLIER) cc_final: 0.8457 (mtmm) REVERT: Ag 116 ASP cc_start: 0.7566 (OUTLIER) cc_final: 0.7325 (m-30) REVERT: Ah 54 ARG cc_start: 0.8319 (OUTLIER) cc_final: 0.7778 (mtt180) REVERT: Ah 97 LYS cc_start: 0.8846 (OUTLIER) cc_final: 0.8454 (mtmm) REVERT: Ah 116 ASP cc_start: 0.7568 (OUTLIER) cc_final: 0.7333 (m-30) REVERT: Ai 54 ARG cc_start: 0.8319 (OUTLIER) cc_final: 0.7778 (mtt180) REVERT: Ai 97 LYS cc_start: 0.8845 (OUTLIER) cc_final: 0.8453 (mtmm) REVERT: Ai 116 ASP cc_start: 0.7567 (OUTLIER) cc_final: 0.7333 (m-30) REVERT: Am 54 ARG cc_start: 0.8313 (OUTLIER) cc_final: 0.7773 (mtt180) REVERT: Am 97 LYS cc_start: 0.8849 (OUTLIER) cc_final: 0.8457 (mtmm) REVERT: Am 116 ASP cc_start: 0.7566 (OUTLIER) cc_final: 0.7325 (m-30) REVERT: Ar 54 ARG cc_start: 0.8319 (OUTLIER) cc_final: 0.7777 (mtt180) REVERT: Ar 97 LYS cc_start: 0.8846 (OUTLIER) cc_final: 0.8454 (mtmm) REVERT: Ar 116 ASP cc_start: 0.7567 (OUTLIER) cc_final: 0.7333 (m-30) REVERT: As 105 LYS cc_start: 0.8201 (OUTLIER) cc_final: 0.7990 (mtpt) REVERT: Ay 105 LYS cc_start: 0.8201 (OUTLIER) cc_final: 0.7990 (mtpt) outliers start: 171 outliers final: 72 residues processed: 1291 average time/residue: 2.0950 time to fit residues: 3652.0881 Evaluate side-chains 1219 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 114 poor density : 1105 time to evaluate : 10.056 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A1 residue 215 LEU Chi-restraints excluded: chain A2 residue 54 ARG Chi-restraints excluded: chain A2 residue 97 LYS Chi-restraints excluded: chain A2 residue 116 ASP Chi-restraints excluded: chain A2 residue 152 VAL Chi-restraints excluded: chain A3 residue 180 LYS Chi-restraints excluded: chain A4 residue 63 ASN Chi-restraints excluded: chain A5 residue 215 LEU Chi-restraints excluded: chain A6 residue 180 LYS Chi-restraints excluded: chain A7 residue 63 ASN Chi-restraints excluded: chain A8 residue 54 ARG Chi-restraints excluded: chain A8 residue 97 LYS Chi-restraints excluded: chain A8 residue 116 ASP Chi-restraints excluded: chain A8 residue 152 VAL Chi-restraints excluded: chain A9 residue 63 ASN Chi-restraints excluded: chain AA residue 54 ARG Chi-restraints excluded: chain AA residue 97 LYS Chi-restraints excluded: chain AA residue 116 ASP Chi-restraints excluded: chain AA residue 152 VAL Chi-restraints excluded: chain AB residue 180 LYS Chi-restraints excluded: chain AC residue 105 LYS Chi-restraints excluded: chain AC residue 116 ASP Chi-restraints excluded: chain AC residue 215 LEU Chi-restraints excluded: chain AD residue 63 ASN Chi-restraints excluded: chain AE residue 180 LYS Chi-restraints excluded: chain AF residue 63 ASN Chi-restraints excluded: chain AG residue 63 ASN Chi-restraints excluded: chain AH residue 105 LYS Chi-restraints excluded: chain AH residue 116 ASP Chi-restraints excluded: chain AH residue 215 LEU Chi-restraints excluded: chain AI residue 54 ARG Chi-restraints excluded: chain AI residue 97 LYS Chi-restraints excluded: chain AI residue 116 ASP Chi-restraints excluded: chain AI residue 152 VAL Chi-restraints excluded: chain AJ residue 180 LYS Chi-restraints excluded: chain AK residue 116 ASP Chi-restraints excluded: chain AK residue 215 LEU Chi-restraints excluded: chain AL residue 63 ASN Chi-restraints excluded: chain AM residue 54 ARG Chi-restraints excluded: chain AM residue 97 LYS Chi-restraints excluded: chain AM residue 116 ASP Chi-restraints excluded: chain AM residue 152 VAL Chi-restraints excluded: chain AN residue 116 ASP Chi-restraints excluded: chain AN residue 215 LEU Chi-restraints excluded: chain AO residue 180 LYS Chi-restraints excluded: chain AP residue 180 LYS Chi-restraints excluded: chain AQ residue 180 LYS Chi-restraints excluded: chain AR residue 116 ASP Chi-restraints excluded: chain AR residue 215 LEU Chi-restraints excluded: chain AS residue 54 ARG Chi-restraints excluded: chain AS residue 97 LYS Chi-restraints excluded: chain AS residue 116 ASP Chi-restraints excluded: chain AS residue 152 VAL Chi-restraints excluded: chain AT residue 63 ASN Chi-restraints excluded: chain AU residue 116 ASP Chi-restraints excluded: chain AU residue 215 LEU Chi-restraints excluded: chain AV residue 215 LEU Chi-restraints excluded: chain AW residue 180 LYS Chi-restraints excluded: chain AX residue 215 LEU Chi-restraints excluded: chain AY residue 180 LYS Chi-restraints excluded: chain AZ residue 215 LEU Chi-restraints excluded: chain Aa residue 105 LYS Chi-restraints excluded: chain Aa residue 116 ASP Chi-restraints excluded: chain Aa residue 215 LEU Chi-restraints excluded: chain Ab residue 63 ASN Chi-restraints excluded: chain Ac residue 63 ASN Chi-restraints excluded: chain Ad residue 54 ARG Chi-restraints excluded: chain Ad residue 97 LYS Chi-restraints excluded: chain Ad residue 116 ASP Chi-restraints excluded: chain Ad residue 152 VAL Chi-restraints excluded: chain Ae residue 105 LYS Chi-restraints excluded: chain Ae residue 116 ASP Chi-restraints excluded: chain Ae residue 215 LEU Chi-restraints excluded: chain Af residue 215 LEU Chi-restraints excluded: chain Ag residue 54 ARG Chi-restraints excluded: chain Ag residue 97 LYS Chi-restraints excluded: chain Ag residue 116 ASP Chi-restraints excluded: chain Ag residue 152 VAL Chi-restraints excluded: chain Ah residue 54 ARG Chi-restraints excluded: chain Ah residue 97 LYS Chi-restraints excluded: chain Ah residue 116 ASP Chi-restraints excluded: chain Ah residue 152 VAL Chi-restraints excluded: chain Ai residue 54 ARG Chi-restraints excluded: chain Ai residue 97 LYS Chi-restraints excluded: chain Ai residue 116 ASP Chi-restraints excluded: chain Ai residue 152 VAL Chi-restraints excluded: chain Aj residue 215 LEU Chi-restraints excluded: chain Ak residue 180 LYS Chi-restraints excluded: chain Al residue 116 ASP Chi-restraints excluded: chain Al residue 215 LEU Chi-restraints excluded: chain Am residue 54 ARG Chi-restraints excluded: chain Am residue 97 LYS Chi-restraints excluded: chain Am residue 116 ASP Chi-restraints excluded: chain Am residue 152 VAL Chi-restraints excluded: chain An residue 215 LEU Chi-restraints excluded: chain Ao residue 215 LEU Chi-restraints excluded: chain Ap residue 215 LEU Chi-restraints excluded: chain Aq residue 63 ASN Chi-restraints excluded: chain Ar residue 54 ARG Chi-restraints excluded: chain Ar residue 97 LYS Chi-restraints excluded: chain Ar residue 116 ASP Chi-restraints excluded: chain Ar residue 152 VAL Chi-restraints excluded: chain As residue 105 LYS Chi-restraints excluded: chain As residue 116 ASP Chi-restraints excluded: chain As residue 215 LEU Chi-restraints excluded: chain At residue 180 LYS Chi-restraints excluded: chain Au residue 116 ASP Chi-restraints excluded: chain Au residue 215 LEU Chi-restraints excluded: chain Av residue 215 LEU Chi-restraints excluded: chain Aw residue 63 ASN Chi-restraints excluded: chain Ax residue 215 LEU Chi-restraints excluded: chain Ay residue 105 LYS Chi-restraints excluded: chain Ay residue 116 ASP Chi-restraints excluded: chain Ay residue 215 LEU Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 983 optimal weight: 9.9990 chunk 1318 optimal weight: 10.0000 chunk 379 optimal weight: 0.9980 chunk 1141 optimal weight: 10.0000 chunk 182 optimal weight: 10.0000 chunk 343 optimal weight: 1.9990 chunk 1239 optimal weight: 5.9990 chunk 518 optimal weight: 8.9990 chunk 1272 optimal weight: 4.9990 chunk 156 optimal weight: 10.0000 chunk 228 optimal weight: 9.9990 overall best weight: 4.5988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A1 225 GLN A4 196 ASN A5 225 GLN A7 196 ASN A9 196 ASN AD 196 ASN AE 225 GLN AF 196 ASN AG 196 ASN AH 196 ASN AL 196 ASN AQ 225 GLN AR 196 ASN AT 196 ASN AV 225 GLN AX 225 GLN AZ 225 GLN Ab 196 ASN Ac 196 ASN Af 225 GLN Aj 225 GLN Al 196 ASN An 225 GLN Ao 225 GLN Ap 225 GLN Aq 196 ASN Au 196 ASN Av 225 GLN Aw 196 ASN Ax 225 GLN Ay 196 ASN Total number of N/Q/H flips: 31 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3279 r_free = 0.3279 target = 0.112258 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 42)----------------| | r_work = 0.3153 r_free = 0.3153 target = 0.103862 restraints weight = 161296.287| |-----------------------------------------------------------------------------| r_work (start): 0.3154 rms_B_bonded: 0.83 r_work: 0.3078 rms_B_bonded: 1.22 restraints_weight: 0.5000 r_work: 0.2983 rms_B_bonded: 2.20 restraints_weight: 0.2500 r_work (final): 0.2983 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8823 moved from start: 0.2043 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.047 124440 Z= 0.411 Angle : 0.552 5.403 169680 Z= 0.292 Chirality : 0.047 0.138 19800 Planarity : 0.004 0.029 22200 Dihedral : 4.580 14.580 17460 Min Nonbonded Distance : 2.143 Molprobity Statistics. All-atom Clashscore : 3.55 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.44 % Favored : 98.56 % Rotamer: Outliers : 1.26 % Allowed : 15.87 % Favored : 82.87 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % 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: 1.57 (0.07), residues: 15780 helix: 1.62 (0.07), residues: 5400 sheet: 0.83 (0.08), residues: 4080 loop : 0.88 (0.09), residues: 6300 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.004 0.001 TRPAp 16 HIS 0.003 0.001 HISAE 194 PHE 0.015 0.003 PHEAO 120 TYR 0.010 0.002 TYRAW 5 ARG 0.005 0.001 ARGA7 79 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 50073.74 seconds wall clock time: 860 minutes 16.91 seconds (51616.91 seconds total)