Starting phenix.real_space_refine on Thu Mar 21 03:42:21 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8deu_27399/03_2024/8deu_27399_trim_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8deu_27399/03_2024/8deu_27399.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.95 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8deu_27399/03_2024/8deu_27399.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8deu_27399/03_2024/8deu_27399.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8deu_27399/03_2024/8deu_27399_trim_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8deu_27399/03_2024/8deu_27399_trim_updated.pdb" } resolution = 2.95 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= -0.000 sd= 0.071 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: 6 Type Number sf(0) Gaussians P 7 5.49 5 S 137 5.16 5 C 15619 2.51 5 N 3905 2.21 5 O 4461 1.98 5 H 4959 0.53 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A ARG 8": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 67": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A GLU 100": "OE1" <-> "OE2" Residue "A ARG 133": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 158": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 166": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 174": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 180": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 183": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 224": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A GLU 243": "OE1" <-> "OE2" Residue "A ARG 250": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 278": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 307": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 361": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 416": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A PHE 457": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 504": "OE1" <-> "OE2" Residue "A GLU 525": "OE1" <-> "OE2" Residue "A ARG 527": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 533": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 537": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 555": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 583": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 632": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 683": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 695": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A GLU 697": "OE1" <-> "OE2" Residue "A ARG 714": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 730": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 744": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ASP 758": "OD1" <-> "OD2" Residue "A ARG 764": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 767": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 777": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 815": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A GLU 823": "OE1" <-> "OE2" Residue "A GLU 839": "OE1" <-> "OE2" Residue "A GLU 847": "OE1" <-> "OE2" Residue "A GLU 855": "OE1" <-> "OE2" Residue "A ARG 861": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A GLU 862": "OE1" <-> "OE2" Residue "A ARG 916": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A GLU 973": "OE1" <-> "OE2" Residue "A ARG 976": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 978": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 980": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 1008": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 1037": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 8": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B GLU 66": "OE1" <-> "OE2" Residue "B ARG 67": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B GLU 100": "OE1" <-> "OE2" Residue "B ARG 133": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B GLU 150": "OE1" <-> "OE2" Residue "B ARG 158": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 166": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B GLU 168": "OE1" <-> "OE2" Residue "B ARG 174": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 180": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 183": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 224": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 250": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ASP 262": "OD1" <-> "OD2" Residue "B ARG 278": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B GLU 306": "OE1" <-> "OE2" Residue "B ARG 307": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 361": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 416": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 527": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 533": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 537": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 555": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 583": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 632": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B GLU 669": "OE1" <-> "OE2" Residue "B ARG 683": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 703": "NH1" <-> "NH2" Residue "B ARG 714": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 730": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 744": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 764": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 767": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ASP 773": "OD1" <-> "OD2" Residue "B ARG 777": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 815": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B GLU 839": "OE1" <-> "OE2" Residue "B ARG 861": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B GLU 862": "OE1" <-> "OE2" Residue "B GLU 890": "OE1" <-> "OE2" Residue "B ARG 916": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B GLU 955": "OE1" <-> "OE2" Residue "B GLU 969": "OE1" <-> "OE2" Residue "B ARG 976": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 978": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 980": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 1037": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 8": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 58": "OE1" <-> "OE2" Residue "C GLU 66": "OE1" <-> "OE2" Residue "C ARG 67": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C GLU 73": "OE1" <-> "OE2" Residue "C ASP 83": "OD1" <-> "OD2" Residue "C ASP 97": "OD1" <-> "OD2" Residue "C GLU 100": "OE1" <-> "OE2" Residue "C TYR 125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 133": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 158": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 166": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 174": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 180": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 183": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 224": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 250": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ASP 254": "OD1" <-> "OD2" Residue "C ARG 278": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 307": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C GLU 336": "OE1" <-> "OE2" Residue "C ARG 361": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 416": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C GLU 505": "OE1" <-> "OE2" Residue "C GLU 525": "OE1" <-> "OE2" Residue "C ARG 533": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 537": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 555": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 583": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C GLU 631": "OE1" <-> "OE2" Residue "C ARG 632": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 683": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 695": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 714": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 730": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 744": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ASP 758": "OD1" <-> "OD2" Residue "C ARG 764": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 767": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 777": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 815": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 861": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C GLU 862": "OE1" <-> "OE2" Residue "C ARG 916": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C GLU 955": "OE1" <-> "OE2" Residue "C GLU 973": "OE1" <-> "OE2" Residue "C ARG 976": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 978": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 980": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 1008": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 1037": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "D ASP 124": "OD1" <-> "OD2" Time to flip residues: 0.09s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 29088 Number of models: 1 Model: "" Number of chains: 7 Chain: "A" Number of atoms: 9455 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1041, 9455 Classifications: {'peptide': 1041} Modifications used: {'NH3': 1} Link IDs: {'PTRANS': 40, 'TRANS': 1000} Chain: "B" Number of atoms: 9438 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1040, 9438 Classifications: {'peptide': 1040} Modifications used: {'NH3': 1} Link IDs: {'PTRANS': 40, 'TRANS': 999} Chain: "C" Number of atoms: 9442 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1040, 9442 Classifications: {'peptide': 1040} Modifications used: {'NH3': 1} Link IDs: {'PTRANS': 40, 'TRANS': 999} Chain breaks: 1 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 4 Unresolved non-hydrogen planarities: 1 Chain: "D" Number of atoms: 64 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 64 Classifications: {'peptide': 9} Link IDs: {'PTRANS': 1, 'TRANS': 7} Chain: "A" Number of atoms: 249 Number of conformers: 1 Conformer: "" Number of residues, atoms: 12, 249 Unusual residues: {'PTY': 12} Classifications: {'undetermined': 12} Link IDs: {None: 11} Unresolved non-hydrogen bonds: 355 Unresolved non-hydrogen angles: 412 Unresolved non-hydrogen dihedrals: 319 Unresolved non-hydrogen chiralities: 10 Planarities with less than four sites: {'PTY:plan-1': 8, 'PTY:plan-2': 5} Unresolved non-hydrogen planarities: 42 Chain: "B" Number of atoms: 209 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 209 Unusual residues: {'PTY': 6} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 93 Unresolved non-hydrogen angles: 109 Unresolved non-hydrogen dihedrals: 87 Unresolved non-hydrogen chiralities: 3 Planarities with less than four sites: {'PTY:plan-1': 1, 'PTY:plan-2': 1} Unresolved non-hydrogen planarities: 3 Chain: "C" Number of atoms: 231 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 231 Unusual residues: {'PTY': 9} Classifications: {'undetermined': 9} Link IDs: {None: 8} Unresolved non-hydrogen bonds: 224 Unresolved non-hydrogen angles: 268 Unresolved non-hydrogen dihedrals: 202 Unresolved non-hydrogen chiralities: 7 Planarities with less than four sites: {'PTY:plan-1': 5, 'PTY:plan-2': 6} Unresolved non-hydrogen planarities: 29 Time building chain proxies: 14.09, per 1000 atoms: 0.48 Number of scatterers: 29088 At special positions: 0 Unit cell: (118.8, 125.28, 147.96, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 6 Type Number sf(0) S 137 16.00 P 7 15.00 O 4461 8.00 N 3905 7.00 C 15619 6.00 H 4959 1.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=1, symmetry=0 Simple disulfide: pdb=" SG CYS D 120 " - pdb=" SG CYS D 128 " distance=2.03 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: 15.80 Conformation dependent library (CDL) restraints added in 4.7 seconds 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 5700 Finding SS restraints... running ksdssp... Secondary structure from input PDB file: 102 helices and 22 sheets defined 52.9% alpha, 11.4% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 6.83 Creating SS restraints... Processing helix chain 'A' and resid 2 through 7 Processing helix chain 'A' and resid 9 through 29 removed outlier: 3.542A pdb=" N SER A 29 " --> pdb=" O PHE A 25 " (cutoff:3.500A) Processing helix chain 'A' and resid 54 through 60 Processing helix chain 'A' and resid 62 through 68 removed outlier: 4.174A pdb=" N ASN A 68 " --> pdb=" O VAL A 64 " (cutoff:3.500A) Processing helix chain 'A' and resid 100 through 117 removed outlier: 4.749A pdb=" N SER A 116 " --> pdb=" O SER A 112 " (cutoff:3.500A) removed outlier: 6.016A pdb=" N THR A 117 " --> pdb=" O GLU A 113 " (cutoff:3.500A) Processing helix chain 'A' and resid 120 through 125 Processing helix chain 'A' and resid 149 through 165 removed outlier: 4.571A pdb=" N VAL A 161 " --> pdb=" O GLN A 157 " (cutoff:3.500A) Proline residue: A 162 - end of helix Processing helix chain 'A' and resid 188 through 194 Processing helix chain 'A' and resid 198 through 208 Processing helix chain 'A' and resid 241 through 246 removed outlier: 3.663A pdb=" N ASN A 246 " --> pdb=" O GLU A 242 " (cutoff:3.500A) Processing helix chain 'A' and resid 260 through 262 No H-bonds generated for 'chain 'A' and resid 260 through 262' Processing helix chain 'A' and resid 297 through 314 removed outlier: 4.470A pdb=" N LYS A 313 " --> pdb=" O ALA A 309 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N TYR A 314 " --> pdb=" O VAL A 310 " (cutoff:3.500A) Processing helix chain 'A' and resid 329 through 357 Processing helix chain 'A' and resid 363 through 383 Proline residue: A 371 - end of helix Processing helix chain 'A' and resid 390 through 421 removed outlier: 4.605A pdb=" N GLY A 401 " --> pdb=" O ILE A 397 " (cutoff:3.500A) removed outlier: 4.242A pdb=" N ILE A 402 " --> pdb=" O LEU A 398 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N ASP A 405 " --> pdb=" O GLY A 401 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N ASP A 406 " --> pdb=" O ILE A 402 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N ALA A 407 " --> pdb=" O VAL A 403 " (cutoff:3.500A) Processing helix chain 'A' and resid 425 through 456 removed outlier: 5.822A pdb=" N GLY A 438 " --> pdb=" O GLY A 434 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N ALA A 439 " --> pdb=" O GLN A 435 " (cutoff:3.500A) Proline residue: A 453 - end of helix removed outlier: 3.592A pdb=" N MET A 456 " --> pdb=" O VAL A 452 " (cutoff:3.500A) Processing helix chain 'A' and resid 462 through 493 removed outlier: 4.285A pdb=" N THR A 487 " --> pdb=" O ALA A 483 " (cutoff:3.500A) Proline residue: A 488 - end of helix Processing helix chain 'A' and resid 509 through 533 Processing helix chain 'A' and resid 537 through 554 Processing helix chain 'A' and resid 581 through 597 Processing helix chain 'A' and resid 639 through 653 Processing helix chain 'A' and resid 688 through 704 Processing helix chain 'A' and resid 730 through 733 No H-bonds generated for 'chain 'A' and resid 730 through 733' Processing helix chain 'A' and resid 740 through 751 removed outlier: 4.211A pdb=" N LEU A 751 " --> pdb=" O LEU A 747 " (cutoff:3.500A) Processing helix chain 'A' and resid 774 through 776 No H-bonds generated for 'chain 'A' and resid 774 through 776' Processing helix chain 'A' and resid 780 through 784 Processing helix chain 'A' and resid 834 through 847 Processing helix chain 'A' and resid 859 through 865 removed outlier: 3.875A pdb=" N LYS A 865 " --> pdb=" O ARG A 861 " (cutoff:3.500A) Processing helix chain 'A' and resid 870 through 889 Processing helix chain 'A' and resid 894 through 923 removed outlier: 3.943A pdb=" N LEU A 900 " --> pdb=" O ALA A 897 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N VAL A 901 " --> pdb=" O VAL A 898 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N MET A 902 " --> pdb=" O LEU A 899 " (cutoff:3.500A) Proline residue: A 903 - end of helix removed outlier: 4.230A pdb=" N LEU A 922 " --> pdb=" O PHE A 919 " (cutoff:3.500A) Processing helix chain 'A' and resid 933 through 961 removed outlier: 4.265A pdb=" N LEU A 952 " --> pdb=" O LYS A 948 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N ILE A 953 " --> pdb=" O ASN A 949 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLN A 961 " --> pdb=" O ALA A 957 " (cutoff:3.500A) Processing helix chain 'A' and resid 967 through 993 removed outlier: 3.582A pdb=" N ALA A 971 " --> pdb=" O ALA A 967 " (cutoff:3.500A) removed outlier: 5.196A pdb=" N ARG A 980 " --> pdb=" O ARG A 976 " (cutoff:3.500A) Proline residue: A 981 - end of helix Processing helix chain 'A' and resid 1004 through 1040 removed outlier: 3.586A pdb=" N THR A1013 " --> pdb=" O ALA A1009 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE A1027 " --> pdb=" O LEU A1023 " (cutoff:3.500A) Proline residue: A1030 - end of helix Processing helix chain 'B' and resid 3 through 6 No H-bonds generated for 'chain 'B' and resid 3 through 6' Processing helix chain 'B' and resid 9 through 29 removed outlier: 3.586A pdb=" N SER B 29 " --> pdb=" O PHE B 25 " (cutoff:3.500A) Processing helix chain 'B' and resid 54 through 68 removed outlier: 4.971A pdb=" N SER B 63 " --> pdb=" O GLY B 59 " (cutoff:3.500A) removed outlier: 5.370A pdb=" N VAL B 64 " --> pdb=" O SER B 60 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N ASN B 68 " --> pdb=" O VAL B 64 " (cutoff:3.500A) Processing helix chain 'B' and resid 100 through 113 removed outlier: 3.929A pdb=" N GLU B 113 " --> pdb=" O ASN B 109 " (cutoff:3.500A) Processing helix chain 'B' and resid 115 through 117 No H-bonds generated for 'chain 'B' and resid 115 through 117' Processing helix chain 'B' and resid 120 through 125 Processing helix chain 'B' and resid 149 through 159 Processing helix chain 'B' and resid 161 through 164 No H-bonds generated for 'chain 'B' and resid 161 through 164' Processing helix chain 'B' and resid 188 through 194 Processing helix chain 'B' and resid 198 through 208 Processing helix chain 'B' and resid 241 through 245 Processing helix chain 'B' and resid 297 through 314 removed outlier: 4.576A pdb=" N LYS B 313 " --> pdb=" O ALA B 309 " (cutoff:3.500A) removed outlier: 5.157A pdb=" N TYR B 314 " --> pdb=" O VAL B 310 " (cutoff:3.500A) Processing helix chain 'B' and resid 329 through 357 Processing helix chain 'B' and resid 365 through 383 Proline residue: B 371 - end of helix Processing helix chain 'B' and resid 390 through 421 removed outlier: 4.521A pdb=" N GLY B 401 " --> pdb=" O ILE B 397 " (cutoff:3.500A) removed outlier: 4.399A pdb=" N ILE B 402 " --> pdb=" O LEU B 398 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N ALA B 407 " --> pdb=" O VAL B 403 " (cutoff:3.500A) Processing helix chain 'B' and resid 425 through 455 removed outlier: 5.661A pdb=" N GLY B 438 " --> pdb=" O GLY B 434 " (cutoff:3.500A) removed outlier: 5.183A pdb=" N ALA B 439 " --> pdb=" O GLN B 435 " (cutoff:3.500A) Proline residue: B 453 - end of helix Processing helix chain 'B' and resid 460 through 494 removed outlier: 3.807A pdb=" N GLN B 467 " --> pdb=" O ASN B 463 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N PHE B 468 " --> pdb=" O ILE B 464 " (cutoff:3.500A) removed outlier: 4.643A pdb=" N THR B 487 " --> pdb=" O ALA B 483 " (cutoff:3.500A) Proline residue: B 488 - end of helix Processing helix chain 'B' and resid 509 through 533 Processing helix chain 'B' and resid 535 through 554 Processing helix chain 'B' and resid 581 through 597 removed outlier: 3.708A pdb=" N SER B 597 " --> pdb=" O GLN B 593 " (cutoff:3.500A) Processing helix chain 'B' and resid 639 through 653 Processing helix chain 'B' and resid 688 through 703 Processing helix chain 'B' and resid 730 through 735 Processing helix chain 'B' and resid 741 through 749 Processing helix chain 'B' and resid 774 through 776 No H-bonds generated for 'chain 'B' and resid 774 through 776' Processing helix chain 'B' and resid 780 through 784 Processing helix chain 'B' and resid 798 through 800 No H-bonds generated for 'chain 'B' and resid 798 through 800' Processing helix chain 'B' and resid 834 through 847 Processing helix chain 'B' and resid 858 through 864 removed outlier: 3.764A pdb=" N ALA B 864 " --> pdb=" O ARG B 861 " (cutoff:3.500A) Processing helix chain 'B' and resid 868 through 889 Processing helix chain 'B' and resid 894 through 898 Processing helix chain 'B' and resid 902 through 922 Processing helix chain 'B' and resid 933 through 962 removed outlier: 3.557A pdb=" N ASP B 959 " --> pdb=" O GLU B 955 " (cutoff:3.500A) Processing helix chain 'B' and resid 967 through 997 removed outlier: 5.163A pdb=" N ARG B 980 " --> pdb=" O ARG B 976 " (cutoff:3.500A) Proline residue: B 981 - end of helix Proline residue: B 995 - end of helix Processing helix chain 'B' and resid 1004 through 1039 removed outlier: 4.188A pdb=" N PHE B1027 " --> pdb=" O LEU B1023 " (cutoff:3.500A) Proline residue: B1030 - end of helix Processing helix chain 'C' and resid 2 through 5 No H-bonds generated for 'chain 'C' and resid 2 through 5' Processing helix chain 'C' and resid 9 through 29 removed outlier: 3.611A pdb=" N SER C 29 " --> pdb=" O PHE C 25 " (cutoff:3.500A) Processing helix chain 'C' and resid 54 through 68 removed outlier: 5.244A pdb=" N SER C 63 " --> pdb=" O GLY C 59 " (cutoff:3.500A) removed outlier: 5.192A pdb=" N VAL C 64 " --> pdb=" O SER C 60 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ASN C 68 " --> pdb=" O VAL C 64 " (cutoff:3.500A) Processing helix chain 'C' and resid 100 through 117 removed outlier: 3.656A pdb=" N VAL C 114 " --> pdb=" O LYS C 110 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N SER C 116 " --> pdb=" O SER C 112 " (cutoff:3.500A) removed outlier: 5.311A pdb=" N THR C 117 " --> pdb=" O GLU C 113 " (cutoff:3.500A) Processing helix chain 'C' and resid 120 through 125 Processing helix chain 'C' and resid 149 through 159 Processing helix chain 'C' and resid 161 through 165 Processing helix chain 'C' and resid 188 through 193 Processing helix chain 'C' and resid 198 through 208 Processing helix chain 'C' and resid 241 through 245 Processing helix chain 'C' and resid 260 through 262 No H-bonds generated for 'chain 'C' and resid 260 through 262' Processing helix chain 'C' and resid 297 through 314 removed outlier: 4.602A pdb=" N LYS C 313 " --> pdb=" O ALA C 309 " (cutoff:3.500A) removed outlier: 5.014A pdb=" N TYR C 314 " --> pdb=" O VAL C 310 " (cutoff:3.500A) Processing helix chain 'C' and resid 328 through 357 removed outlier: 3.504A pdb=" N GLU C 332 " --> pdb=" O SER C 328 " (cutoff:3.500A) Processing helix chain 'C' and resid 360 through 363 No H-bonds generated for 'chain 'C' and resid 360 through 363' Processing helix chain 'C' and resid 365 through 383 removed outlier: 3.829A pdb=" N VAL C 369 " --> pdb=" O ILE C 365 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N VAL C 370 " --> pdb=" O PRO C 366 " (cutoff:3.500A) Proline residue: C 371 - end of helix Processing helix chain 'C' and resid 390 through 401 removed outlier: 4.671A pdb=" N GLY C 401 " --> pdb=" O ILE C 397 " (cutoff:3.500A) Processing helix chain 'C' and resid 405 through 420 Processing helix chain 'C' and resid 425 through 455 removed outlier: 6.001A pdb=" N GLY C 438 " --> pdb=" O GLY C 434 " (cutoff:3.500A) removed outlier: 5.168A pdb=" N ALA C 439 " --> pdb=" O GLN C 435 " (cutoff:3.500A) removed outlier: 5.075A pdb=" N VAL C 446 " --> pdb=" O ILE C 441 " (cutoff:3.500A) removed outlier: 4.947A pdb=" N LEU C 447 " --> pdb=" O GLY C 442 " (cutoff:3.500A) removed outlier: 4.942A pdb=" N ILE C 448 " --> pdb=" O ILE C 443 " (cutoff:3.500A) removed outlier: 4.859A pdb=" N SER C 449 " --> pdb=" O THR C 444 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N PHE C 451 " --> pdb=" O LEU C 447 " (cutoff:3.500A) Proline residue: C 453 - end of helix Processing helix chain 'C' and resid 461 through 494 removed outlier: 3.571A pdb=" N PHE C 468 " --> pdb=" O ILE C 464 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N THR C 487 " --> pdb=" O ALA C 483 " (cutoff:3.500A) Proline residue: C 488 - end of helix Processing helix chain 'C' and resid 509 through 532 Processing helix chain 'C' and resid 535 through 554 Processing helix chain 'C' and resid 581 through 596 Processing helix chain 'C' and resid 639 through 653 Processing helix chain 'C' and resid 688 through 702 Processing helix chain 'C' and resid 730 through 735 Processing helix chain 'C' and resid 741 through 751 removed outlier: 4.065A pdb=" N LEU C 751 " --> pdb=" O LEU C 747 " (cutoff:3.500A) Processing helix chain 'C' and resid 774 through 776 No H-bonds generated for 'chain 'C' and resid 774 through 776' Processing helix chain 'C' and resid 781 through 784 No H-bonds generated for 'chain 'C' and resid 781 through 784' Processing helix chain 'C' and resid 834 through 847 Processing helix chain 'C' and resid 858 through 889 removed outlier: 3.893A pdb=" N GLY C 867 " --> pdb=" O ALA C 864 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N SER C 868 " --> pdb=" O LYS C 865 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N THR C 870 " --> pdb=" O GLY C 867 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N ILE C 871 " --> pdb=" O SER C 868 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N TYR C 889 " --> pdb=" O ALA C 886 " (cutoff:3.500A) Processing helix chain 'C' and resid 894 through 922 removed outlier: 4.341A pdb=" N VAL C 901 " --> pdb=" O ALA C 897 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N MET C 902 " --> pdb=" O VAL C 898 " (cutoff:3.500A) Proline residue: C 903 - end of helix Processing helix chain 'C' and resid 933 through 961 removed outlier: 3.859A pdb=" N ILE C 953 " --> pdb=" O ASN C 949 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N PHE C 956 " --> pdb=" O LEU C 952 " (cutoff:3.500A) Processing helix chain 'C' and resid 967 through 997 removed outlier: 4.988A pdb=" N ARG C 980 " --> pdb=" O ARG C 976 " (cutoff:3.500A) Proline residue: C 981 - end of helix Proline residue: C 995 - end of helix Processing helix chain 'C' and resid 1004 through 1039 removed outlier: 3.873A pdb=" N THR C1013 " --> pdb=" O ALA C1009 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N PHE C1027 " --> pdb=" O LEU C1023 " (cutoff:3.500A) Proline residue: C1030 - end of helix Processing sheet with id= A, first strand: chain 'A' and resid 128 through 130 removed outlier: 4.526A pdb=" N SER A 87 " --> pdb=" O ASP A 83 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ASP A 83 " --> pdb=" O SER A 87 " (cutoff:3.500A) Processing sheet with id= B, first strand: chain 'A' and resid 266 through 270 removed outlier: 8.683A pdb=" N ARG A 180 " --> pdb=" O LEU A 765 " (cutoff:3.500A) removed outlier: 4.687A pdb=" N ARG A 767 " --> pdb=" O ARG A 180 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N SER A 757 " --> pdb=" O VAL A 768 " (cutoff:3.500A) removed outlier: 6.761A pdb=" N VAL A 770 " --> pdb=" O TYR A 755 " (cutoff:3.500A) removed outlier: 5.425A pdb=" N TYR A 755 " --> pdb=" O VAL A 770 " (cutoff:3.500A) Processing sheet with id= C, first strand: chain 'A' and resid 215 through 217 removed outlier: 4.398A pdb=" N GLY A 215 " --> pdb=" O VAL A 232 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N VAL A 232 " --> pdb=" O GLY A 215 " (cutoff:3.500A) Processing sheet with id= D, first strand: chain 'A' and resid 276 through 279 removed outlier: 6.701A pdb=" N ILE A 625 " --> pdb=" O GLU A 602 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N ILE A 604 " --> pdb=" O PHE A 623 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N PHE A 623 " --> pdb=" O ILE A 604 " (cutoff:3.500A) removed outlier: 4.622A pdb=" N THR A 606 " --> pdb=" O MET A 621 " (cutoff:3.500A) removed outlier: 6.762A pdb=" N MET A 621 " --> pdb=" O THR A 606 " (cutoff:3.500A) removed outlier: 5.654A pdb=" N SER A 608 " --> pdb=" O MET A 619 " (cutoff:3.500A) removed outlier: 7.708A pdb=" N MET A 619 " --> pdb=" O SER A 608 " (cutoff:3.500A) Processing sheet with id= E, first strand: chain 'A' and resid 820 through 826 Processing sheet with id= F, first strand: chain 'A' and resid 721 through 725 Processing sheet with id= G, first strand: chain 'A' and resid 136 through 141 removed outlier: 6.774A pdb=" N VAL A 289 " --> pdb=" O LEU A 137 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N ILE A 139 " --> pdb=" O MET A 287 " (cutoff:3.500A) removed outlier: 6.125A pdb=" N MET A 287 " --> pdb=" O ILE A 139 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLN A 172 " --> pdb=" O MET A 290 " (cutoff:3.500A) Processing sheet with id= H, first strand: chain 'B' and resid 42 through 44 Processing sheet with id= I, first strand: chain 'B' and resid 320 through 322 removed outlier: 6.852A pdb=" N VAL B 289 " --> pdb=" O LEU B 137 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N ILE B 139 " --> pdb=" O MET B 287 " (cutoff:3.500A) removed outlier: 6.413A pdb=" N MET B 287 " --> pdb=" O ILE B 139 " (cutoff:3.500A) removed outlier: 4.610A pdb=" N MET B 141 " --> pdb=" O THR B 285 " (cutoff:3.500A) removed outlier: 6.393A pdb=" N THR B 285 " --> pdb=" O MET B 141 " (cutoff:3.500A) Processing sheet with id= J, first strand: chain 'B' and resid 264 through 270 removed outlier: 3.527A pdb=" N LYS B 265 " --> pdb=" O TRP B 185 " (cutoff:3.500A) removed outlier: 7.530A pdb=" N ARG B 180 " --> pdb=" O LEU B 765 " (cutoff:3.500A) removed outlier: 4.564A pdb=" N ARG B 767 " --> pdb=" O ARG B 180 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG B 764 " --> pdb=" O ASN B 761 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N SER B 757 " --> pdb=" O VAL B 768 " (cutoff:3.500A) removed outlier: 7.018A pdb=" N VAL B 770 " --> pdb=" O TYR B 755 " (cutoff:3.500A) removed outlier: 5.604A pdb=" N TYR B 755 " --> pdb=" O VAL B 770 " (cutoff:3.500A) Processing sheet with id= K, first strand: chain 'B' and resid 215 through 217 removed outlier: 4.285A pdb=" N GLY B 215 " --> pdb=" O VAL B 232 " (cutoff:3.500A) Processing sheet with id= L, first strand: chain 'B' and resid 277 through 279 removed outlier: 6.656A pdb=" N ILE B 625 " --> pdb=" O GLU B 602 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N ILE B 604 " --> pdb=" O PHE B 623 " (cutoff:3.500A) removed outlier: 6.210A pdb=" N PHE B 623 " --> pdb=" O ILE B 604 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N THR B 606 " --> pdb=" O MET B 621 " (cutoff:3.500A) removed outlier: 6.875A pdb=" N MET B 621 " --> pdb=" O THR B 606 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N SER B 608 " --> pdb=" O MET B 619 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N MET B 619 " --> pdb=" O SER B 608 " (cutoff:3.500A) Processing sheet with id= M, first strand: chain 'B' and resid 821 through 824 Processing sheet with id= N, first strand: chain 'B' and resid 721 through 725 Processing sheet with id= O, first strand: chain 'C' and resid 128 through 130 removed outlier: 4.068A pdb=" N SER C 87 " --> pdb=" O ASP C 83 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASP C 83 " --> pdb=" O SER C 87 " (cutoff:3.500A) Processing sheet with id= P, first strand: chain 'C' and resid 320 through 322 removed outlier: 3.683A pdb=" N MET C 138 " --> pdb=" O VAL C 289 " (cutoff:3.500A) Processing sheet with id= Q, first strand: chain 'C' and resid 264 through 270 removed outlier: 8.532A pdb=" N ARG C 180 " --> pdb=" O LEU C 765 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N ARG C 767 " --> pdb=" O ARG C 180 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N SER C 757 " --> pdb=" O VAL C 768 " (cutoff:3.500A) removed outlier: 6.864A pdb=" N VAL C 770 " --> pdb=" O TYR C 755 " (cutoff:3.500A) removed outlier: 5.508A pdb=" N TYR C 755 " --> pdb=" O VAL C 770 " (cutoff:3.500A) Processing sheet with id= R, first strand: chain 'C' and resid 276 through 279 removed outlier: 6.749A pdb=" N ILE C 625 " --> pdb=" O GLU C 602 " (cutoff:3.500A) removed outlier: 4.165A pdb=" N ILE C 604 " --> pdb=" O PHE C 623 " (cutoff:3.500A) removed outlier: 6.236A pdb=" N PHE C 623 " --> pdb=" O ILE C 604 " (cutoff:3.500A) Processing sheet with id= S, first strand: chain 'C' and resid 572 through 575 Processing sheet with id= T, first strand: chain 'C' and resid 820 through 826 Processing sheet with id= U, first strand: chain 'C' and resid 722 through 726 Processing sheet with id= V, first strand: chain 'C' and resid 248 through 251 removed outlier: 6.534A pdb=" N ILE C 258 " --> pdb=" O LEU C 249 " (cutoff:3.500A) 1331 hydrogen bonds defined for protein. 3774 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: 10.91 Time building geometry restraints manager: 16.79 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 0.82 - 1.02: 4959 1.02 - 1.21: 63 1.21 - 1.41: 9424 1.41 - 1.61: 14747 1.61 - 1.81: 281 Bond restraints: 29474 Sorted by residual: bond pdb=" C8 PTY C1106 " pdb=" O7 PTY C1106 " ideal model delta sigma weight residual 1.331 1.183 0.148 2.00e-02 2.50e+03 5.44e+01 bond pdb=" C30 PTY B1103 " pdb=" O4 PTY B1103 " ideal model delta sigma weight residual 1.331 1.184 0.147 2.00e-02 2.50e+03 5.42e+01 bond pdb=" ND2 ASN B 135 " pdb="HD21 ASN B 135 " ideal model delta sigma weight residual 0.860 0.982 -0.122 2.00e-02 2.50e+03 3.69e+01 bond pdb=" ND2 ASN B 672 " pdb="HD21 ASN B 672 " ideal model delta sigma weight residual 0.860 0.981 -0.121 2.00e-02 2.50e+03 3.65e+01 bond pdb=" ND2 ASN A 679 " pdb="HD21 ASN A 679 " ideal model delta sigma weight residual 0.860 0.981 -0.121 2.00e-02 2.50e+03 3.65e+01 ... (remaining 29469 not shown) Histogram of bond angle deviations from ideal: 99.57 - 106.48: 663 106.48 - 113.40: 15455 113.40 - 120.31: 13166 120.31 - 127.23: 12510 127.23 - 134.14: 200 Bond angle restraints: 41994 Sorted by residual: angle pdb=" N VAL C 756 " pdb=" CA VAL C 756 " pdb=" C VAL C 756 " ideal model delta sigma weight residual 110.72 121.62 -10.90 1.01e+00 9.80e-01 1.16e+02 angle pdb=" N SER A 143 " pdb=" CA SER A 143 " pdb=" C SER A 143 " ideal model delta sigma weight residual 111.17 124.20 -13.03 1.41e+00 5.03e-01 8.53e+01 angle pdb=" N VAL A 61 " pdb=" CA VAL A 61 " pdb=" C VAL A 61 " ideal model delta sigma weight residual 111.56 119.43 -7.87 8.60e-01 1.35e+00 8.37e+01 angle pdb=" N VAL A 756 " pdb=" CA VAL A 756 " pdb=" C VAL A 756 " ideal model delta sigma weight residual 111.67 119.76 -8.09 9.50e-01 1.11e+00 7.25e+01 angle pdb=" N THR A 712 " pdb=" CA THR A 712 " pdb=" C THR A 712 " ideal model delta sigma weight residual 111.36 119.80 -8.44 1.09e+00 8.42e-01 6.00e+01 ... (remaining 41989 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 33.96: 18154 33.96 - 67.91: 574 67.91 - 101.87: 30 101.87 - 135.82: 7 135.82 - 169.78: 2 Dihedral angle restraints: 18767 sinusoidal: 9827 harmonic: 8940 Sorted by residual: dihedral pdb=" CB CYS D 120 " pdb=" SG CYS D 120 " pdb=" SG CYS D 128 " pdb=" CB CYS D 128 " ideal model delta sinusoidal sigma weight residual -86.00 -127.02 41.02 1 1.00e+01 1.00e-02 2.36e+01 dihedral pdb=" C3 PTY B1101 " pdb=" O11 PTY B1101 " pdb=" P1 PTY B1101 " pdb=" O12 PTY B1101 " ideal model delta sinusoidal sigma weight residual 300.23 130.45 169.78 1 3.00e+01 1.11e-03 2.12e+01 dihedral pdb=" N1 PTY A1105 " pdb=" C2 PTY A1105 " pdb=" C3 PTY A1105 " pdb=" O11 PTY A1105 " ideal model delta sinusoidal sigma weight residual 65.33 -126.48 -168.19 1 3.00e+01 1.11e-03 2.11e+01 ... (remaining 18764 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.098: 3577 0.098 - 0.196: 225 0.196 - 0.294: 25 0.294 - 0.392: 10 0.392 - 0.490: 2 Chirality restraints: 3839 Sorted by residual: chirality pdb=" CA LEU C 654 " pdb=" N LEU C 654 " pdb=" C LEU C 654 " pdb=" CB LEU C 654 " both_signs ideal model delta sigma weight residual False 2.51 2.02 0.49 2.00e-01 2.50e+01 5.99e+00 chirality pdb=" CA LEU B 220 " pdb=" N LEU B 220 " pdb=" C LEU B 220 " pdb=" CB LEU B 220 " both_signs ideal model delta sigma weight residual False 2.51 2.09 0.42 2.00e-01 2.50e+01 4.51e+00 chirality pdb=" CA ASP C 99 " pdb=" N ASP C 99 " pdb=" C ASP C 99 " pdb=" CB ASP C 99 " both_signs ideal model delta sigma weight residual False 2.51 2.12 0.39 2.00e-01 2.50e+01 3.74e+00 ... (remaining 3836 not shown) Planarity restraints: 7093 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB ASN A 514 " 0.288 2.00e-02 2.50e+03 3.17e-01 1.51e+03 pdb=" CG ASN A 514 " -0.023 2.00e-02 2.50e+03 pdb=" OD1 ASN A 514 " -0.281 2.00e-02 2.50e+03 pdb=" ND2 ASN A 514 " 0.004 2.00e-02 2.50e+03 pdb="HD21 ASN A 514 " -0.463 2.00e-02 2.50e+03 pdb="HD22 ASN A 514 " 0.475 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CG GLN B 859 " 0.215 2.00e-02 2.50e+03 2.64e-01 1.05e+03 pdb=" CD GLN B 859 " -0.014 2.00e-02 2.50e+03 pdb=" OE1 GLN B 859 " -0.214 2.00e-02 2.50e+03 pdb=" NE2 GLN B 859 " 0.008 2.00e-02 2.50e+03 pdb="HE21 GLN B 859 " -0.402 2.00e-02 2.50e+03 pdb="HE22 GLN B 859 " 0.407 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CG GLN C 869 " 0.216 2.00e-02 2.50e+03 2.62e-01 1.03e+03 pdb=" CD GLN C 869 " -0.017 2.00e-02 2.50e+03 pdb=" OE1 GLN C 869 " -0.210 2.00e-02 2.50e+03 pdb=" NE2 GLN C 869 " 0.005 2.00e-02 2.50e+03 pdb="HE21 GLN C 869 " -0.397 2.00e-02 2.50e+03 pdb="HE22 GLN C 869 " 0.404 2.00e-02 2.50e+03 ... (remaining 7090 not shown) Histogram of nonbonded interaction distances: 1.63 - 2.23: 447 2.23 - 2.82: 22441 2.82 - 3.41: 49699 3.41 - 4.01: 65379 4.01 - 4.60: 97321 Nonbonded interactions: 235287 Sorted by model distance: nonbonded pdb=" OE2 GLU B 412 " pdb="HH21 ARG B 980 " model vdw 1.634 1.850 nonbonded pdb=" O LEU A 707 " pdb=" H ALA A 829 " model vdw 1.641 1.850 nonbonded pdb=" O ASN A 293 " pdb=" HG SER A 294 " model vdw 1.672 1.850 nonbonded pdb="HH22 ARG C 158 " pdb=" O ASN C 761 " model vdw 1.673 1.850 nonbonded pdb="HH22 ARG B 158 " pdb=" O ASN B 761 " model vdw 1.675 1.850 ... (remaining 235282 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 'A' and (resid 1 through 184 or (resid 185 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or name C \ E2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 186 through 219 or \ (resid 220 and (name N or name CA or name C or name O or name CB or name CG or \ name CD1 or name CD2)) or resid 221 through 320 or (resid 321 and (name N or nam \ e CA or name C or name O or name CB or name CG or name CD1 or name CD2 or name N \ E1 or name CE2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 322 th \ rough 444 or resid 446 through 477 or (resid 478 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2 or name CE2 or name CZ \ or name H )) or resid 479 through 519 or (resid 520 and (name N or name CA or n \ ame C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or nam \ e CE2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 521 through 628 \ or (resid 629 and (name N or name CA or name C or name O or name CB or name CG \ or name CD1 or name CD2 or name NE1 or name CE2 or name CE3 or name CZ2 or name \ CZ3 or name CH2 or name H or name HB3 or name HE1)) or resid 630 through 855 or \ (resid 856 and (name N or name CA or name C or name O or name CB or name CG or n \ ame CD1 or name CD2 or name NE1 or name CE2 or name CE3 or name CZ2 or name CZ3 \ or name CH2)) or resid 857 through 891 or (resid 892 and (name N or name CA or n \ ame C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or nam \ e CE2 or name CE3 or name CZ2 or name CZ3 or name CH2 or name H or name HB2 or n \ ame HE1)) or resid 893 through 917 or (resid 918 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2)) or resid 919 through \ 1040 or (resid 1107 and (name C13 or name C14 or name C15 or name C16 or name C \ 17 or name C18 or name C19)) or (resid 1109 and (name C11 or name C12 or name C1 \ 3 or name C14 or name C15 or name C16 or name C17 or name C18 or name C19 or nam \ e C20 or name C21 or name C22 or name C23 or name C24 or name C25 or name C26 or \ name C27 or name C28 or name C29)))) selection = (chain 'B' and (resid 1 through 184 or (resid 185 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or name C \ E2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 186 through 219 or \ (resid 220 and (name N or name CA or name C or name O or name CB or name CG or \ name CD1 or name CD2)) or resid 221 through 444 or resid 446 through 477 or (res \ id 478 and (name N or name CA or name C or name O or name CB or name CG or name \ CD1 or name CD2 or name CE2 or name CZ or name H )) or resid 479 through 519 or \ (resid 520 and (name N or name CA or name C or name O or name CB or name CG or n \ ame CD1 or name CD2 or name NE1 or name CE2 or name CE3 or name CZ2 or name CZ3 \ or name CH2)) or resid 521 through 628 or (resid 629 and (name N or name CA or n \ ame C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or nam \ e CE2 or name CE3 or name CZ2 or name CZ3 or name CH2 or name H or name HB3 or n \ ame HE1)) or resid 630 through 805 or (resid 806 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or name CE \ 2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 807 through 1040 or \ (resid 1101 and (name C13 or name C14 or name C15 or name C16 or name C17 or na \ me C18 or name C19)) or (resid 1103 and (name C11 or name C12 or name C13 or nam \ e C14 or name C15 or name C16 or name C17 or name C18 or name C19 or name C20 or \ name C21 or name C22 or name C23 or name C24 or name C25 or name C26 or name C2 \ 7 or name C28 or name C29)))) selection = (chain 'C' and (resid 1 through 320 or (resid 321 and (name N or name CA or name \ C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or name C \ E2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 322 through 805 or \ (resid 806 and (name N or name CA or name C or name O or name CB or name CG or \ name CD1 or name CD2 or name NE1 or name CE2 or name CE3 or name CZ2 or name CZ3 \ or name CH2)) or resid 807 through 855 or (resid 856 and (name N or name CA or \ name C or name O or name CB or name CG or name CD1 or name CD2 or name NE1 or na \ me CE2 or name CE3 or name CZ2 or name CZ3 or name CH2)) or resid 857 through 91 \ 7 or (resid 918 and (name N or name CA or name C or name O or name CB or name CG \ or name CD1 or name CD2)) or resid 919 through 1040 or (resid 1107 and (name C1 \ 3 or name C14 or name C15 or name C16 or name C17 or name C18 or name C19)) or ( \ resid 1109 and (name C11 or name C12 or name C13 or name C14 or name C15 or name \ C16 or name C17 or name C18 or name C19 or name C20 or name C21 or name C22 or \ name C23 or name C24 or name C25 or name C26 or name C27 or name C28 or name C29 \ )))) } 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: 1.780 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: 0.670 Extract box with map and model: 7.700 Check model and map are aligned: 0.450 Set scattering table: 0.250 Process input model: 81.520 Find NCS groups from input model: 2.150 Set up NCS constraints: 0.140 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: 0.000 Load rotamer database and sin/cos tables:12.790 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 107.450 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8035 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.148 24515 Z= 0.389 Angle : 0.969 17.293 33040 Z= 0.531 Chirality : 0.055 0.490 3839 Planarity : 0.004 0.052 4147 Dihedral : 15.988 169.778 9079 Min Nonbonded Distance : 2.211 Molprobity Statistics. All-atom Clashscore : 14.97 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.68 % Favored : 95.32 % Rotamer: Outliers : 3.07 % Allowed : 16.08 % Favored : 80.85 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.69 (0.14), residues: 3120 helix: -0.14 (0.12), residues: 1687 sheet: -2.02 (0.22), residues: 466 loop : -2.21 (0.18), residues: 967 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.001 TRP B1016 HIS 0.002 0.001 HIS C 46 PHE 0.019 0.001 PHE A 457 TYR 0.010 0.001 TYR B 889 ARG 0.004 0.000 ARG A 764 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 495 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 77 poor density : 418 time to evaluate : 2.858 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 354 TYR cc_start: 0.8160 (t80) cc_final: 0.7878 (t80) REVERT: A 364 LEU cc_start: 0.8488 (mt) cc_final: 0.8283 (mm) REVERT: A 415 GLU cc_start: 0.7868 (OUTLIER) cc_final: 0.7666 (tm-30) REVERT: A 466 LYS cc_start: 0.8177 (tttt) cc_final: 0.7933 (tttp) REVERT: A 554 MET cc_start: 0.7761 (mtt) cc_final: 0.7468 (mtp) REVERT: A 621 MET cc_start: 0.8679 (ptt) cc_final: 0.8296 (ptm) REVERT: A 769 MET cc_start: 0.9033 (mtt) cc_final: 0.8501 (mtm) REVERT: A 792 SER cc_start: 0.8654 (OUTLIER) cc_final: 0.8359 (m) REVERT: A 808 MET cc_start: 0.8738 (OUTLIER) cc_final: 0.8440 (mmm) REVERT: A 838 MET cc_start: 0.8224 (mtt) cc_final: 0.7947 (mtm) REVERT: A 843 LYS cc_start: 0.8454 (ttpt) cc_final: 0.8135 (tttm) REVERT: A 973 GLU cc_start: 0.6735 (tt0) cc_final: 0.6343 (tp30) REVERT: A 1038 LYS cc_start: 0.7818 (tttt) cc_final: 0.7609 (tttm) REVERT: A 1039 PHE cc_start: 0.7353 (t80) cc_final: 0.7007 (t80) REVERT: B 298 MET cc_start: 0.8470 (mtp) cc_final: 0.8200 (mtm) REVERT: B 340 HIS cc_start: 0.7428 (m-70) cc_final: 0.7043 (m90) REVERT: B 384 MET cc_start: 0.8809 (mmm) cc_final: 0.8593 (mmp) REVERT: B 496 LYS cc_start: 0.8366 (mttt) cc_final: 0.8093 (mttm) REVERT: B 570 MET cc_start: 0.8306 (ttp) cc_final: 0.8095 (ttp) REVERT: B 808 MET cc_start: 0.8377 (mmm) cc_final: 0.8123 (tpp) REVERT: B 846 ASP cc_start: 0.7557 (m-30) cc_final: 0.7295 (m-30) REVERT: C 57 MET cc_start: 0.8236 (tpp) cc_final: 0.7844 (tpt) REVERT: C 210 ILE cc_start: 0.8783 (tt) cc_final: 0.8477 (tp) REVERT: C 393 MET cc_start: 0.8554 (mmp) cc_final: 0.7728 (mmp) REVERT: C 433 MET cc_start: 0.8393 (mmm) cc_final: 0.8119 (mmm) REVERT: C 527 ARG cc_start: 0.6349 (mtt180) cc_final: 0.5588 (mmp80) REVERT: C 619 MET cc_start: 0.9136 (mmt) cc_final: 0.8890 (mmm) REVERT: C 838 MET cc_start: 0.8797 (mtp) cc_final: 0.8477 (mtm) REVERT: C 920 GLU cc_start: 0.7557 (mt-10) cc_final: 0.7353 (mm-30) outliers start: 77 outliers final: 34 residues processed: 479 average time/residue: 1.5242 time to fit residues: 846.7559 Evaluate side-chains 353 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 37 poor density : 316 time to evaluate : 2.706 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 263 VAL Chi-restraints excluded: chain A residue 360 ILE Chi-restraints excluded: chain A residue 369 VAL Chi-restraints excluded: chain A residue 373 SER Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 721 SER Chi-restraints excluded: chain A residue 752 SER Chi-restraints excluded: chain A residue 792 SER Chi-restraints excluded: chain A residue 799 SER Chi-restraints excluded: chain A residue 808 MET Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 832 VAL Chi-restraints excluded: chain B residue 111 LEU Chi-restraints excluded: chain B residue 217 ILE Chi-restraints excluded: chain B residue 231 THR Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 485 THR Chi-restraints excluded: chain B residue 606 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 721 SER Chi-restraints excluded: chain B residue 804 VAL Chi-restraints excluded: chain B residue 841 VAL Chi-restraints excluded: chain B residue 994 VAL Chi-restraints excluded: chain B residue 1014 VAL Chi-restraints excluded: chain B residue 1034 VAL Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 334 SER Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 531 VAL Chi-restraints excluded: chain C residue 535 THR Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 804 VAL Chi-restraints excluded: chain C residue 1006 SER Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 263 optimal weight: 2.9990 chunk 236 optimal weight: 6.9990 chunk 131 optimal weight: 4.9990 chunk 80 optimal weight: 5.9990 chunk 159 optimal weight: 6.9990 chunk 126 optimal weight: 4.9990 chunk 244 optimal weight: 4.9990 chunk 94 optimal weight: 0.9990 chunk 148 optimal weight: 4.9990 chunk 182 optimal weight: 1.9990 chunk 283 optimal weight: 0.9990 overall best weight: 2.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 34 GLN A 193 ASN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 283 ASN B 317 GLN B 389 ASN B 463 ASN B 593 GLN B 762 GLN B 807 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 235 GLN C 593 GLN C 812 GLN C 869 GLN C 963 GLN Total number of N/Q/H flips: 14 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8119 moved from start: 0.1820 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.046 24515 Z= 0.330 Angle : 0.524 7.010 33040 Z= 0.277 Chirality : 0.042 0.143 3839 Planarity : 0.004 0.042 4147 Dihedral : 11.459 175.858 3885 Min Nonbonded Distance : 2.157 Molprobity Statistics. All-atom Clashscore : 15.17 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.53 % Favored : 96.47 % Rotamer: Outliers : 4.55 % Allowed : 20.07 % Favored : 75.38 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.48 (0.15), residues: 3120 helix: 0.94 (0.12), residues: 1692 sheet: -1.53 (0.22), residues: 514 loop : -1.89 (0.19), residues: 914 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.015 0.002 TRP B1016 HIS 0.004 0.001 HIS C 46 PHE 0.019 0.001 PHE C 11 TYR 0.016 0.001 TYR C 77 ARG 0.003 0.001 ARG C1008 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 452 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 114 poor density : 338 time to evaluate : 2.830 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 354 TYR cc_start: 0.8120 (t80) cc_final: 0.7918 (t80) REVERT: A 415 GLU cc_start: 0.7949 (OUTLIER) cc_final: 0.7394 (pp20) REVERT: A 466 LYS cc_start: 0.8242 (tttt) cc_final: 0.7926 (tttp) REVERT: A 554 MET cc_start: 0.7773 (mtt) cc_final: 0.7450 (mtp) REVERT: A 555 ARG cc_start: 0.7480 (ppp80) cc_final: 0.7236 (ptt-90) REVERT: A 628 ASP cc_start: 0.7947 (OUTLIER) cc_final: 0.7700 (t70) REVERT: A 752 SER cc_start: 0.8352 (OUTLIER) cc_final: 0.8065 (m) REVERT: A 838 MET cc_start: 0.8260 (mtt) cc_final: 0.7942 (mtm) REVERT: A 843 LYS cc_start: 0.8524 (ttpt) cc_final: 0.8248 (tttm) REVERT: A 973 GLU cc_start: 0.6888 (tt0) cc_final: 0.6257 (tp30) REVERT: A 1039 PHE cc_start: 0.7527 (t80) cc_final: 0.7187 (t80) REVERT: B 168 GLU cc_start: 0.8291 (OUTLIER) cc_final: 0.7908 (tt0) REVERT: B 290 MET cc_start: 0.8347 (OUTLIER) cc_final: 0.7193 (mtt) REVERT: B 298 MET cc_start: 0.8643 (mtp) cc_final: 0.8417 (mtm) REVERT: B 346 MET cc_start: 0.7641 (OUTLIER) cc_final: 0.6436 (mpp) REVERT: B 384 MET cc_start: 0.8861 (mmm) cc_final: 0.8646 (mmp) REVERT: B 496 LYS cc_start: 0.8348 (mttt) cc_final: 0.8146 (mttp) REVERT: B 570 MET cc_start: 0.8291 (ttp) cc_final: 0.7994 (ttm) REVERT: B 727 ASP cc_start: 0.7376 (m-30) cc_final: 0.7153 (m-30) REVERT: B 808 MET cc_start: 0.8509 (mmm) cc_final: 0.8238 (tpp) REVERT: C 527 ARG cc_start: 0.6518 (mtt180) cc_final: 0.5746 (tpt170) REVERT: C 563 THR cc_start: 0.9360 (OUTLIER) cc_final: 0.9136 (t) REVERT: C 920 GLU cc_start: 0.7664 (mt-10) cc_final: 0.7419 (mm-30) REVERT: C 937 VAL cc_start: 0.8393 (OUTLIER) cc_final: 0.8115 (m) outliers start: 114 outliers final: 65 residues processed: 417 average time/residue: 1.5770 time to fit residues: 760.9262 Evaluate side-chains 390 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 73 poor density : 317 time to evaluate : 2.835 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 66 GLU Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 116 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 495 LEU Chi-restraints excluded: chain A residue 559 SER Chi-restraints excluded: chain A residue 563 THR Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 752 SER Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 832 VAL Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 933 ILE Chi-restraints excluded: chain A residue 942 VAL Chi-restraints excluded: chain A residue 945 LEU Chi-restraints excluded: chain A residue 984 MET Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1022 THR Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1026 VAL Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 33 SER Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 97 ASP Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 168 GLU Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 282 VAL Chi-restraints excluded: chain B residue 290 MET Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 560 PHE Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 606 THR Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 773 ASP Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 563 THR Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 718 LEU Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 798 LEU Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 928 SER Chi-restraints excluded: chain C residue 933 ILE Chi-restraints excluded: chain C residue 937 VAL Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 157 optimal weight: 0.0000 chunk 87 optimal weight: 0.9990 chunk 235 optimal weight: 3.9990 chunk 192 optimal weight: 0.8980 chunk 78 optimal weight: 0.9980 chunk 283 optimal weight: 0.9990 chunk 306 optimal weight: 2.9990 chunk 252 optimal weight: 2.9990 chunk 281 optimal weight: 7.9990 chunk 96 optimal weight: 8.9990 chunk 227 optimal weight: 3.9990 overall best weight: 0.7788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 208 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 593 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8078 moved from start: 0.2099 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.044 24515 Z= 0.130 Angle : 0.397 5.844 33040 Z= 0.214 Chirality : 0.037 0.137 3839 Planarity : 0.003 0.035 4147 Dihedral : 10.210 171.012 3850 Min Nonbonded Distance : 2.197 Molprobity Statistics. All-atom Clashscore : 16.09 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.88 % Favored : 97.12 % Rotamer: Outliers : 3.35 % Allowed : 21.99 % Favored : 74.66 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.41 (0.15), residues: 3120 helix: 1.67 (0.13), residues: 1695 sheet: -0.89 (0.24), residues: 480 loop : -1.67 (0.19), residues: 945 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.010 0.001 TRP B1016 HIS 0.002 0.000 HIS B 503 PHE 0.012 0.001 PHE A 457 TYR 0.009 0.001 TYR A 524 ARG 0.003 0.000 ARG C1008 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 420 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 84 poor density : 336 time to evaluate : 2.872 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 58 GLU cc_start: 0.7751 (OUTLIER) cc_final: 0.7361 (tt0) REVERT: A 237 GLN cc_start: 0.8755 (OUTLIER) cc_final: 0.8298 (mt0) REVERT: A 415 GLU cc_start: 0.7989 (OUTLIER) cc_final: 0.7473 (pp20) REVERT: A 466 LYS cc_start: 0.8175 (tttt) cc_final: 0.7870 (tttp) REVERT: A 554 MET cc_start: 0.7711 (mtt) cc_final: 0.7466 (mtp) REVERT: A 555 ARG cc_start: 0.7364 (ppp80) cc_final: 0.7096 (ptt-90) REVERT: A 596 LYS cc_start: 0.7858 (ttpp) cc_final: 0.7545 (ttmm) REVERT: A 621 MET cc_start: 0.8529 (ptt) cc_final: 0.8250 (ptm) REVERT: A 628 ASP cc_start: 0.7928 (OUTLIER) cc_final: 0.7662 (t70) REVERT: A 752 SER cc_start: 0.8306 (OUTLIER) cc_final: 0.8070 (m) REVERT: A 838 MET cc_start: 0.8253 (mtt) cc_final: 0.7980 (mtm) REVERT: A 942 VAL cc_start: 0.8443 (p) cc_final: 0.8030 (m) REVERT: A 955 GLU cc_start: 0.7293 (tp30) cc_final: 0.6673 (tm-30) REVERT: A 973 GLU cc_start: 0.6780 (tt0) cc_final: 0.6431 (tm-30) REVERT: A 1039 PHE cc_start: 0.7551 (t80) cc_final: 0.7179 (t80) REVERT: B 496 LYS cc_start: 0.8331 (mttt) cc_final: 0.8124 (mttp) REVERT: B 570 MET cc_start: 0.8288 (ttp) cc_final: 0.8018 (ttm) REVERT: B 604 ILE cc_start: 0.8802 (OUTLIER) cc_final: 0.8574 (tt) REVERT: B 808 MET cc_start: 0.8617 (mmm) cc_final: 0.8414 (tpp) REVERT: C 229 THR cc_start: 0.9173 (OUTLIER) cc_final: 0.8922 (t) REVERT: C 426 LYS cc_start: 0.7192 (OUTLIER) cc_final: 0.6970 (mttp) REVERT: C 527 ARG cc_start: 0.6482 (mtt180) cc_final: 0.5788 (tpt170) REVERT: C 769 MET cc_start: 0.9225 (OUTLIER) cc_final: 0.8490 (mtm) REVERT: C 838 MET cc_start: 0.8887 (mtp) cc_final: 0.8651 (mtm) REVERT: C 920 GLU cc_start: 0.7642 (mt-10) cc_final: 0.7436 (mm-30) outliers start: 84 outliers final: 38 residues processed: 389 average time/residue: 1.6157 time to fit residues: 724.6138 Evaluate side-chains 369 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 47 poor density : 322 time to evaluate : 2.871 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 116 SER Chi-restraints excluded: chain A residue 192 GLN Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 752 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 418 MET Chi-restraints excluded: chain B residue 560 PHE Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 604 ILE Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 229 THR Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 426 LYS Chi-restraints excluded: chain C residue 452 VAL Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 718 LEU Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 769 MET Chi-restraints excluded: chain C residue 801 ILE Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 280 optimal weight: 4.9990 chunk 213 optimal weight: 6.9990 chunk 147 optimal weight: 2.9990 chunk 31 optimal weight: 5.9990 chunk 135 optimal weight: 3.9990 chunk 190 optimal weight: 5.9990 chunk 284 optimal weight: 3.9990 chunk 301 optimal weight: 1.9990 chunk 148 optimal weight: 0.9990 chunk 269 optimal weight: 3.9990 chunk 81 optimal weight: 3.9990 overall best weight: 2.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 34 GLN A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 688 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 859 GLN A 936 GLN B 317 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN C 812 GLN Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8150 moved from start: 0.2453 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.039 24515 Z= 0.374 Angle : 0.529 8.222 33040 Z= 0.277 Chirality : 0.042 0.153 3839 Planarity : 0.004 0.051 4147 Dihedral : 10.667 169.344 3845 Min Nonbonded Distance : 2.092 Molprobity Statistics. All-atom Clashscore : 14.50 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.58 % Favored : 95.42 % Rotamer: Outliers : 5.55 % Allowed : 21.03 % Favored : 73.42 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.28 (0.15), residues: 3120 helix: 1.46 (0.13), residues: 1701 sheet: -0.82 (0.23), residues: 513 loop : -1.62 (0.19), residues: 906 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.002 TRP B1016 HIS 0.004 0.001 HIS C 46 PHE 0.019 0.002 PHE C 11 TYR 0.012 0.002 TYR C 155 ARG 0.004 0.000 ARG B 632 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 460 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 139 poor density : 321 time to evaluate : 2.939 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 58 GLU cc_start: 0.7950 (OUTLIER) cc_final: 0.7544 (tt0) REVERT: A 237 GLN cc_start: 0.8874 (OUTLIER) cc_final: 0.8400 (mt0) REVERT: A 415 GLU cc_start: 0.8080 (OUTLIER) cc_final: 0.7496 (pp20) REVERT: A 466 LYS cc_start: 0.8259 (tttt) cc_final: 0.7954 (tttp) REVERT: A 554 MET cc_start: 0.7729 (mtt) cc_final: 0.7433 (mtp) REVERT: A 555 ARG cc_start: 0.7561 (OUTLIER) cc_final: 0.7235 (ptt-90) REVERT: A 628 ASP cc_start: 0.7857 (OUTLIER) cc_final: 0.7577 (t70) REVERT: A 838 MET cc_start: 0.8291 (mtt) cc_final: 0.7897 (mtm) REVERT: A 942 VAL cc_start: 0.8646 (OUTLIER) cc_final: 0.8311 (m) REVERT: A 945 LEU cc_start: 0.8440 (OUTLIER) cc_final: 0.7834 (mt) REVERT: A 973 GLU cc_start: 0.6871 (tt0) cc_final: 0.6584 (tm-30) REVERT: A 1018 MET cc_start: 0.8050 (tpt) cc_final: 0.7744 (mmm) REVERT: B 168 GLU cc_start: 0.8288 (OUTLIER) cc_final: 0.7897 (tt0) REVERT: B 496 LYS cc_start: 0.8396 (mttt) cc_final: 0.8156 (mttm) REVERT: B 560 PHE cc_start: 0.7578 (OUTLIER) cc_final: 0.7325 (t80) REVERT: B 570 MET cc_start: 0.8311 (ttp) cc_final: 0.8025 (ttm) REVERT: B 702 MET cc_start: 0.7410 (mtp) cc_final: 0.7209 (mtp) REVERT: B 808 MET cc_start: 0.8581 (mmm) cc_final: 0.8346 (tpp) REVERT: C 69 MET cc_start: 0.9174 (tpp) cc_final: 0.8840 (mmt) REVERT: C 229 THR cc_start: 0.9213 (OUTLIER) cc_final: 0.8970 (t) REVERT: C 307 ARG cc_start: 0.8403 (OUTLIER) cc_final: 0.7332 (tpt170) REVERT: C 496 LYS cc_start: 0.8327 (mtmm) cc_final: 0.8034 (mtmt) REVERT: C 527 ARG cc_start: 0.6583 (mtt180) cc_final: 0.5887 (tpt170) REVERT: C 563 THR cc_start: 0.9248 (OUTLIER) cc_final: 0.9013 (t) REVERT: C 764 ARG cc_start: 0.8543 (OUTLIER) cc_final: 0.8044 (mtp180) REVERT: C 937 VAL cc_start: 0.8327 (OUTLIER) cc_final: 0.7957 (m) outliers start: 139 outliers final: 84 residues processed: 418 average time/residue: 1.5916 time to fit residues: 768.9377 Evaluate side-chains 416 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 98 poor density : 318 time to evaluate : 2.889 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 66 GLU Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 116 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 192 GLN Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 555 ARG Chi-restraints excluded: chain A residue 563 THR Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 785 ASN Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 942 VAL Chi-restraints excluded: chain A residue 945 LEU Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1004 SER Chi-restraints excluded: chain A residue 1022 THR Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 97 ASP Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 168 GLU Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 231 THR Chi-restraints excluded: chain B residue 233 THR Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 282 VAL Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 485 THR Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 560 PHE Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 606 THR Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 804 VAL Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1014 VAL Chi-restraints excluded: chain B residue 1022 THR Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 229 THR Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 307 ARG Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 452 VAL Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 535 THR Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 563 THR Chi-restraints excluded: chain C residue 606 THR Chi-restraints excluded: chain C residue 628 ASP Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 718 LEU Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 769 MET Chi-restraints excluded: chain C residue 798 LEU Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 871 ILE Chi-restraints excluded: chain C residue 937 VAL Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 251 optimal weight: 3.9990 chunk 171 optimal weight: 9.9990 chunk 4 optimal weight: 0.9990 chunk 224 optimal weight: 2.9990 chunk 124 optimal weight: 2.9990 chunk 257 optimal weight: 0.5980 chunk 208 optimal weight: 3.9990 chunk 0 optimal weight: 7.9990 chunk 153 optimal weight: 1.9990 chunk 270 optimal weight: 3.9990 chunk 76 optimal weight: 1.9990 overall best weight: 1.7188 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 593 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN C 812 GLN Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8123 moved from start: 0.2588 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.040 24515 Z= 0.234 Angle : 0.442 5.927 33040 Z= 0.235 Chirality : 0.039 0.143 3839 Planarity : 0.003 0.039 4147 Dihedral : 10.192 168.580 3844 Min Nonbonded Distance : 2.136 Molprobity Statistics. All-atom Clashscore : 15.50 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.17 % Favored : 96.83 % Rotamer: Outliers : 4.67 % Allowed : 22.11 % Favored : 73.22 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.68 (0.16), residues: 3120 helix: 1.81 (0.13), residues: 1693 sheet: -0.55 (0.24), residues: 492 loop : -1.53 (0.19), residues: 935 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.001 TRP B1016 HIS 0.002 0.000 HIS C 46 PHE 0.015 0.001 PHE A 457 TYR 0.009 0.001 TYR C 997 ARG 0.003 0.000 ARG B 632 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 443 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 117 poor density : 326 time to evaluate : 2.930 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8612 (OUTLIER) cc_final: 0.7874 (tt0) REVERT: A 58 GLU cc_start: 0.7949 (OUTLIER) cc_final: 0.7446 (tt0) REVERT: A 237 GLN cc_start: 0.8826 (OUTLIER) cc_final: 0.8360 (mt0) REVERT: A 396 MET cc_start: 0.8044 (OUTLIER) cc_final: 0.7230 (mmt) REVERT: A 415 GLU cc_start: 0.8073 (OUTLIER) cc_final: 0.7495 (pp20) REVERT: A 466 LYS cc_start: 0.8201 (tttt) cc_final: 0.7918 (tttp) REVERT: A 555 ARG cc_start: 0.7457 (OUTLIER) cc_final: 0.7154 (ptt-90) REVERT: A 628 ASP cc_start: 0.7872 (OUTLIER) cc_final: 0.7604 (t70) REVERT: A 838 MET cc_start: 0.8268 (mtt) cc_final: 0.7880 (mtm) REVERT: A 942 VAL cc_start: 0.8614 (p) cc_final: 0.8296 (m) REVERT: A 945 LEU cc_start: 0.8420 (mt) cc_final: 0.7817 (mt) REVERT: A 973 GLU cc_start: 0.6990 (tt0) cc_final: 0.6555 (tm-30) REVERT: A 1018 MET cc_start: 0.8116 (tpt) cc_final: 0.7722 (mmm) REVERT: B 141 MET cc_start: 0.8801 (OUTLIER) cc_final: 0.8253 (mmt) REVERT: B 346 MET cc_start: 0.7625 (OUTLIER) cc_final: 0.6426 (mpp) REVERT: B 393 MET cc_start: 0.8785 (mmm) cc_final: 0.8575 (mpm) REVERT: B 496 LYS cc_start: 0.8386 (mttt) cc_final: 0.8143 (mttm) REVERT: B 560 PHE cc_start: 0.7602 (OUTLIER) cc_final: 0.7357 (t80) REVERT: B 570 MET cc_start: 0.8314 (ttp) cc_final: 0.8033 (ttm) REVERT: B 963 GLN cc_start: 0.7699 (OUTLIER) cc_final: 0.7380 (mt0) REVERT: C 69 MET cc_start: 0.9171 (tpp) cc_final: 0.8836 (mmt) REVERT: C 229 THR cc_start: 0.9186 (OUTLIER) cc_final: 0.8958 (t) REVERT: C 496 LYS cc_start: 0.8290 (mtmm) cc_final: 0.7952 (mtmt) REVERT: C 527 ARG cc_start: 0.6519 (mtt180) cc_final: 0.5794 (tpt170) REVERT: C 563 THR cc_start: 0.9217 (OUTLIER) cc_final: 0.9016 (t) REVERT: C 764 ARG cc_start: 0.8519 (OUTLIER) cc_final: 0.8163 (mtp180) REVERT: C 769 MET cc_start: 0.9235 (OUTLIER) cc_final: 0.8571 (mtm) REVERT: C 798 LEU cc_start: 0.7891 (OUTLIER) cc_final: 0.7651 (tp) outliers start: 117 outliers final: 73 residues processed: 406 average time/residue: 1.5676 time to fit residues: 734.5933 Evaluate side-chains 411 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 89 poor density : 322 time to evaluate : 2.902 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 116 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 192 GLN Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 396 MET Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 555 ARG Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 712 THR Chi-restraints excluded: chain A residue 785 ASN Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1004 SER Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 141 MET Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 233 THR Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 426 LYS Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 560 PHE Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 963 GLN Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 994 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1022 THR Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 37 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 138 MET Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 229 THR Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 257 ASN Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 452 VAL Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 563 THR Chi-restraints excluded: chain C residue 606 THR Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 718 LEU Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 769 MET Chi-restraints excluded: chain C residue 796 VAL Chi-restraints excluded: chain C residue 798 LEU Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 871 ILE Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 101 optimal weight: 4.9990 chunk 271 optimal weight: 4.9990 chunk 59 optimal weight: 3.9990 chunk 177 optimal weight: 6.9990 chunk 74 optimal weight: 4.9990 chunk 301 optimal weight: 0.5980 chunk 250 optimal weight: 8.9990 chunk 139 optimal weight: 4.9990 chunk 25 optimal weight: 9.9990 chunk 99 optimal weight: 0.8980 chunk 158 optimal weight: 5.9990 overall best weight: 3.0986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 688 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 859 GLN B 317 GLN B 762 GLN ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 104 GLN C 108 GLN C 211 GLN Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8160 moved from start: 0.2705 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.043 24515 Z= 0.407 Angle : 0.537 7.865 33040 Z= 0.281 Chirality : 0.043 0.154 3839 Planarity : 0.004 0.060 4147 Dihedral : 10.503 166.330 3844 Min Nonbonded Distance : 2.121 Molprobity Statistics. All-atom Clashscore : 14.67 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.94 % Favored : 95.06 % Rotamer: Outliers : 6.03 % Allowed : 21.19 % Favored : 72.79 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.44 (0.15), residues: 3120 helix: 1.52 (0.13), residues: 1705 sheet: -0.64 (0.24), residues: 522 loop : -1.48 (0.20), residues: 893 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.002 TRP B1016 HIS 0.004 0.001 HIS C 46 PHE 0.017 0.002 PHE C 987 TYR 0.011 0.002 TYR C 155 ARG 0.005 0.001 ARG B 632 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 467 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 151 poor density : 316 time to evaluate : 3.107 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8696 (OUTLIER) cc_final: 0.7801 (tt0) REVERT: A 58 GLU cc_start: 0.7971 (OUTLIER) cc_final: 0.7561 (tt0) REVERT: A 237 GLN cc_start: 0.8868 (OUTLIER) cc_final: 0.8378 (mt0) REVERT: A 396 MET cc_start: 0.8091 (OUTLIER) cc_final: 0.7344 (mmt) REVERT: A 415 GLU cc_start: 0.8039 (OUTLIER) cc_final: 0.7353 (pp20) REVERT: A 466 LYS cc_start: 0.8380 (tttt) cc_final: 0.7980 (tttp) REVERT: A 555 ARG cc_start: 0.7534 (OUTLIER) cc_final: 0.7212 (ptt-90) REVERT: A 628 ASP cc_start: 0.7852 (OUTLIER) cc_final: 0.7570 (t70) REVERT: A 838 MET cc_start: 0.8171 (mtt) cc_final: 0.7746 (mtm) REVERT: A 863 GLU cc_start: 0.7014 (OUTLIER) cc_final: 0.6805 (mp0) REVERT: A 942 VAL cc_start: 0.8663 (OUTLIER) cc_final: 0.8245 (m) REVERT: A 945 LEU cc_start: 0.8456 (OUTLIER) cc_final: 0.7860 (mt) REVERT: A 973 GLU cc_start: 0.6926 (tt0) cc_final: 0.6621 (tm-30) REVERT: A 990 ILE cc_start: 0.7906 (OUTLIER) cc_final: 0.7516 (mp) REVERT: B 168 GLU cc_start: 0.8270 (OUTLIER) cc_final: 0.7885 (tt0) REVERT: B 346 MET cc_start: 0.7671 (OUTLIER) cc_final: 0.6482 (mpp) REVERT: B 393 MET cc_start: 0.8812 (mmm) cc_final: 0.8318 (mpm) REVERT: B 496 LYS cc_start: 0.8396 (mttt) cc_final: 0.8146 (mttm) REVERT: B 570 MET cc_start: 0.8313 (ttp) cc_final: 0.8033 (ttm) REVERT: B 702 MET cc_start: 0.7422 (mtp) cc_final: 0.7214 (mtp) REVERT: C 69 MET cc_start: 0.9145 (tpp) cc_final: 0.8835 (mmt) REVERT: C 229 THR cc_start: 0.9220 (OUTLIER) cc_final: 0.8965 (t) REVERT: C 307 ARG cc_start: 0.8467 (OUTLIER) cc_final: 0.7444 (tpt170) REVERT: C 496 LYS cc_start: 0.8329 (mtmm) cc_final: 0.8011 (mtmt) REVERT: C 527 ARG cc_start: 0.6524 (mtt180) cc_final: 0.5813 (tpm170) REVERT: C 563 THR cc_start: 0.9238 (OUTLIER) cc_final: 0.9019 (t) REVERT: C 764 ARG cc_start: 0.8556 (OUTLIER) cc_final: 0.8039 (mtp180) REVERT: C 798 LEU cc_start: 0.7937 (OUTLIER) cc_final: 0.7706 (tp) REVERT: C 937 VAL cc_start: 0.8347 (OUTLIER) cc_final: 0.8015 (m) outliers start: 151 outliers final: 97 residues processed: 420 average time/residue: 1.5831 time to fit residues: 768.2926 Evaluate side-chains 432 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 116 poor density : 316 time to evaluate : 2.570 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 116 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 192 GLN Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 396 MET Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 555 ARG Chi-restraints excluded: chain A residue 563 THR Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 703 ARG Chi-restraints excluded: chain A residue 712 THR Chi-restraints excluded: chain A residue 785 ASN Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 863 GLU Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 942 VAL Chi-restraints excluded: chain A residue 945 LEU Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 990 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1004 SER Chi-restraints excluded: chain A residue 1022 THR Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 168 GLU Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 233 THR Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 282 VAL Chi-restraints excluded: chain B residue 310 VAL Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 426 LYS Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 485 THR Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 606 THR Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 804 VAL Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 994 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1022 THR Chi-restraints excluded: chain B residue 1034 VAL Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 37 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 139 ILE Chi-restraints excluded: chain C residue 143 SER Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 229 THR Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 257 ASN Chi-restraints excluded: chain C residue 307 ARG Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 452 VAL Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 535 THR Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 563 THR Chi-restraints excluded: chain C residue 606 THR Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 700 GLN Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 769 MET Chi-restraints excluded: chain C residue 798 LEU Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 871 ILE Chi-restraints excluded: chain C residue 922 LEU Chi-restraints excluded: chain C residue 933 ILE Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 951 ILE Chi-restraints excluded: chain C residue 1018 MET Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 291 optimal weight: 1.9990 chunk 34 optimal weight: 0.7980 chunk 171 optimal weight: 9.9990 chunk 220 optimal weight: 5.9990 chunk 170 optimal weight: 3.9990 chunk 254 optimal weight: 2.9990 chunk 168 optimal weight: 0.9980 chunk 300 optimal weight: 3.9990 chunk 188 optimal weight: 2.9990 chunk 183 optimal weight: 8.9990 chunk 138 optimal weight: 4.9990 overall best weight: 1.9586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 859 GLN B 317 GLN B 593 GLN B 762 GLN ** B 859 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8135 moved from start: 0.2769 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.039 24515 Z= 0.266 Angle : 0.459 6.392 33040 Z= 0.243 Chirality : 0.040 0.146 3839 Planarity : 0.004 0.041 4147 Dihedral : 10.098 164.361 3844 Min Nonbonded Distance : 2.172 Molprobity Statistics. All-atom Clashscore : 15.24 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.65 % Favored : 96.35 % Rotamer: Outliers : 4.99 % Allowed : 22.19 % Favored : 72.83 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.75 (0.16), residues: 3120 helix: 1.82 (0.13), residues: 1691 sheet: -0.45 (0.24), residues: 507 loop : -1.44 (0.20), residues: 922 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.001 TRP B1016 HIS 0.002 0.001 HIS C 46 PHE 0.016 0.001 PHE A 457 TYR 0.010 0.001 TYR A 354 ARG 0.003 0.000 ARG B 632 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 447 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 125 poor density : 322 time to evaluate : 3.136 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8625 (OUTLIER) cc_final: 0.7768 (tt0) REVERT: A 58 GLU cc_start: 0.7978 (OUTLIER) cc_final: 0.7561 (tt0) REVERT: A 237 GLN cc_start: 0.8845 (OUTLIER) cc_final: 0.8404 (mt0) REVERT: A 415 GLU cc_start: 0.8010 (OUTLIER) cc_final: 0.7339 (pp20) REVERT: A 466 LYS cc_start: 0.8332 (tttt) cc_final: 0.7953 (tttp) REVERT: A 555 ARG cc_start: 0.7451 (OUTLIER) cc_final: 0.7164 (ptt-90) REVERT: A 628 ASP cc_start: 0.7849 (OUTLIER) cc_final: 0.7572 (t70) REVERT: A 838 MET cc_start: 0.8162 (mtt) cc_final: 0.7770 (mtm) REVERT: A 863 GLU cc_start: 0.6986 (OUTLIER) cc_final: 0.6772 (mp0) REVERT: A 942 VAL cc_start: 0.8618 (p) cc_final: 0.8220 (m) REVERT: A 945 LEU cc_start: 0.8426 (mt) cc_final: 0.7863 (mt) REVERT: A 973 GLU cc_start: 0.7096 (tt0) cc_final: 0.6657 (tm-30) REVERT: A 990 ILE cc_start: 0.7867 (OUTLIER) cc_final: 0.7462 (mp) REVERT: B 141 MET cc_start: 0.8832 (OUTLIER) cc_final: 0.8162 (mmt) REVERT: B 168 GLU cc_start: 0.8241 (OUTLIER) cc_final: 0.7863 (tt0) REVERT: B 346 MET cc_start: 0.7740 (OUTLIER) cc_final: 0.6534 (mpp) REVERT: B 496 LYS cc_start: 0.8382 (mttt) cc_final: 0.8130 (mttm) REVERT: B 570 MET cc_start: 0.8281 (ttp) cc_final: 0.8007 (ttm) REVERT: B 859 GLN cc_start: 0.7521 (mm110) cc_final: 0.7307 (mm-40) REVERT: C 69 MET cc_start: 0.9150 (tpp) cc_final: 0.8851 (mmt) REVERT: C 229 THR cc_start: 0.9198 (OUTLIER) cc_final: 0.8963 (t) REVERT: C 496 LYS cc_start: 0.8317 (mtmm) cc_final: 0.8017 (mtmt) REVERT: C 527 ARG cc_start: 0.6484 (mtt180) cc_final: 0.5799 (tpm170) REVERT: C 764 ARG cc_start: 0.8539 (OUTLIER) cc_final: 0.8175 (mtp180) REVERT: C 769 MET cc_start: 0.9238 (OUTLIER) cc_final: 0.8537 (mtm) REVERT: C 798 LEU cc_start: 0.7920 (OUTLIER) cc_final: 0.7682 (tp) REVERT: C 937 VAL cc_start: 0.8272 (OUTLIER) cc_final: 0.8057 (m) outliers start: 125 outliers final: 89 residues processed: 412 average time/residue: 1.5534 time to fit residues: 739.8506 Evaluate side-chains 426 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 105 poor density : 321 time to evaluate : 2.771 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 43 ILE Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 66 GLU Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 116 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 237 GLN Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 555 ARG Chi-restraints excluded: chain A residue 563 THR Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 712 THR Chi-restraints excluded: chain A residue 721 SER Chi-restraints excluded: chain A residue 785 ASN Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 863 GLU Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 943 MET Chi-restraints excluded: chain A residue 953 ILE Chi-restraints excluded: chain A residue 990 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1004 SER Chi-restraints excluded: chain A residue 1022 THR Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 141 MET Chi-restraints excluded: chain B residue 168 GLU Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 231 THR Chi-restraints excluded: chain B residue 233 THR Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 310 VAL Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 406 ASP Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 426 LYS Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 813 SER Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 994 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1022 THR Chi-restraints excluded: chain B residue 1023 LEU Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 37 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 229 THR Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 257 ASN Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 452 VAL Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 606 THR Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 769 MET Chi-restraints excluded: chain C residue 798 LEU Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 871 ILE Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 951 ILE Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 186 optimal weight: 3.9990 chunk 120 optimal weight: 2.9990 chunk 179 optimal weight: 4.9990 chunk 90 optimal weight: 0.4980 chunk 59 optimal weight: 3.9990 chunk 58 optimal weight: 0.9980 chunk 191 optimal weight: 0.8980 chunk 204 optimal weight: 7.9990 chunk 148 optimal weight: 4.9990 chunk 28 optimal weight: 5.9990 chunk 236 optimal weight: 3.9990 overall best weight: 1.8784 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 859 GLN B 317 GLN B 762 GLN ** B 859 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN C 812 GLN Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8132 moved from start: 0.2811 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.039 24515 Z= 0.258 Angle : 0.455 5.922 33040 Z= 0.241 Chirality : 0.040 0.146 3839 Planarity : 0.003 0.041 4147 Dihedral : 9.768 165.749 3844 Min Nonbonded Distance : 2.178 Molprobity Statistics. All-atom Clashscore : 15.38 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.97 % Favored : 96.03 % Rotamer: Outliers : 4.79 % Allowed : 22.31 % Favored : 72.91 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.88 (0.16), residues: 3120 helix: 1.92 (0.13), residues: 1690 sheet: -0.37 (0.24), residues: 507 loop : -1.40 (0.20), residues: 923 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.001 TRP B1016 HIS 0.003 0.001 HIS C 46 PHE 0.016 0.001 PHE A 457 TYR 0.009 0.001 TYR C 77 ARG 0.003 0.000 ARG B 632 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 447 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 120 poor density : 327 time to evaluate : 2.931 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8630 (OUTLIER) cc_final: 0.7882 (tt0) REVERT: A 58 GLU cc_start: 0.7953 (OUTLIER) cc_final: 0.7520 (tt0) REVERT: A 415 GLU cc_start: 0.8025 (OUTLIER) cc_final: 0.7338 (pp20) REVERT: A 466 LYS cc_start: 0.8305 (tttt) cc_final: 0.7936 (tttp) REVERT: A 555 ARG cc_start: 0.7439 (OUTLIER) cc_final: 0.7139 (ptt-90) REVERT: A 628 ASP cc_start: 0.7842 (OUTLIER) cc_final: 0.7574 (t70) REVERT: A 838 MET cc_start: 0.8167 (mtt) cc_final: 0.7788 (mtm) REVERT: A 863 GLU cc_start: 0.6988 (OUTLIER) cc_final: 0.6721 (mp0) REVERT: A 942 VAL cc_start: 0.8621 (p) cc_final: 0.8243 (m) REVERT: A 945 LEU cc_start: 0.8354 (mt) cc_final: 0.7800 (mt) REVERT: A 973 GLU cc_start: 0.7084 (tt0) cc_final: 0.6657 (tm-30) REVERT: A 990 ILE cc_start: 0.7905 (OUTLIER) cc_final: 0.7513 (mp) REVERT: B 141 MET cc_start: 0.8835 (OUTLIER) cc_final: 0.8111 (mmt) REVERT: B 168 GLU cc_start: 0.8240 (OUTLIER) cc_final: 0.7862 (tt0) REVERT: B 346 MET cc_start: 0.7737 (OUTLIER) cc_final: 0.6534 (mpp) REVERT: B 496 LYS cc_start: 0.8392 (mttt) cc_final: 0.8140 (mttm) REVERT: B 570 MET cc_start: 0.8311 (ttp) cc_final: 0.8047 (ttm) REVERT: B 859 GLN cc_start: 0.7560 (mm110) cc_final: 0.7347 (mm-40) REVERT: C 69 MET cc_start: 0.9149 (OUTLIER) cc_final: 0.8852 (mmt) REVERT: C 104 GLN cc_start: 0.8822 (OUTLIER) cc_final: 0.8079 (tt0) REVERT: C 229 THR cc_start: 0.9200 (OUTLIER) cc_final: 0.8932 (t) REVERT: C 496 LYS cc_start: 0.8320 (mtmm) cc_final: 0.8014 (mtmt) REVERT: C 527 ARG cc_start: 0.6507 (mtt180) cc_final: 0.5860 (tpm170) REVERT: C 764 ARG cc_start: 0.8510 (OUTLIER) cc_final: 0.8205 (mtp180) REVERT: C 769 MET cc_start: 0.9241 (OUTLIER) cc_final: 0.8555 (mtm) REVERT: C 798 LEU cc_start: 0.7920 (OUTLIER) cc_final: 0.7682 (tp) REVERT: C 937 VAL cc_start: 0.8251 (OUTLIER) cc_final: 0.8033 (m) outliers start: 120 outliers final: 92 residues processed: 416 average time/residue: 1.5791 time to fit residues: 761.0684 Evaluate side-chains 432 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 109 poor density : 323 time to evaluate : 2.861 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 43 ILE Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 66 GLU Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 116 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 555 ARG Chi-restraints excluded: chain A residue 563 THR Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 703 ARG Chi-restraints excluded: chain A residue 712 THR Chi-restraints excluded: chain A residue 721 SER Chi-restraints excluded: chain A residue 785 ASN Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 863 GLU Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 943 MET Chi-restraints excluded: chain A residue 990 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1004 SER Chi-restraints excluded: chain A residue 1022 THR Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 141 MET Chi-restraints excluded: chain B residue 168 GLU Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 231 THR Chi-restraints excluded: chain B residue 233 THR Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 310 VAL Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 406 ASP Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 426 LYS Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 798 LEU Chi-restraints excluded: chain B residue 804 VAL Chi-restraints excluded: chain B residue 813 SER Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 994 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1014 VAL Chi-restraints excluded: chain B residue 1022 THR Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 37 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 69 MET Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 104 GLN Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 229 THR Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 257 ASN Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 452 VAL Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 702 MET Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 769 MET Chi-restraints excluded: chain C residue 798 LEU Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 871 ILE Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 951 ILE Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 273 optimal weight: 4.9990 chunk 288 optimal weight: 2.9990 chunk 262 optimal weight: 3.9990 chunk 280 optimal weight: 2.9990 chunk 168 optimal weight: 3.9990 chunk 122 optimal weight: 0.9980 chunk 220 optimal weight: 5.9990 chunk 85 optimal weight: 2.9990 chunk 253 optimal weight: 4.9990 chunk 265 optimal weight: 2.9990 chunk 279 optimal weight: 0.0980 overall best weight: 2.0186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 593 GLN B 762 GLN ** B 859 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8135 moved from start: 0.2846 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.038 24515 Z= 0.273 Angle : 0.463 5.920 33040 Z= 0.245 Chirality : 0.040 0.146 3839 Planarity : 0.003 0.041 4147 Dihedral : 9.584 167.626 3844 Min Nonbonded Distance : 2.178 Molprobity Statistics. All-atom Clashscore : 15.46 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.78 % Favored : 96.22 % Rotamer: Outliers : 5.31 % Allowed : 22.03 % Favored : 72.67 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.89 (0.16), residues: 3120 helix: 1.92 (0.13), residues: 1690 sheet: -0.27 (0.25), residues: 493 loop : -1.41 (0.20), residues: 937 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.001 TRP B1016 HIS 0.003 0.001 HIS C 46 PHE 0.016 0.001 PHE A 457 TYR 0.009 0.001 TYR C 77 ARG 0.003 0.000 ARG B 632 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 458 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 133 poor density : 325 time to evaluate : 2.735 Fit side-chains revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8632 (OUTLIER) cc_final: 0.7881 (tt0) REVERT: A 58 GLU cc_start: 0.7909 (OUTLIER) cc_final: 0.7473 (tt0) REVERT: A 192 GLN cc_start: 0.7797 (OUTLIER) cc_final: 0.7507 (tt0) REVERT: A 415 GLU cc_start: 0.8063 (OUTLIER) cc_final: 0.7366 (pp20) REVERT: A 466 LYS cc_start: 0.8304 (tttt) cc_final: 0.7939 (tttp) REVERT: A 555 ARG cc_start: 0.7425 (OUTLIER) cc_final: 0.7133 (ptt-90) REVERT: A 628 ASP cc_start: 0.7835 (OUTLIER) cc_final: 0.7568 (t70) REVERT: A 838 MET cc_start: 0.8171 (mtt) cc_final: 0.7793 (mtm) REVERT: A 863 GLU cc_start: 0.7032 (OUTLIER) cc_final: 0.6729 (mp0) REVERT: A 942 VAL cc_start: 0.8622 (p) cc_final: 0.8248 (m) REVERT: A 945 LEU cc_start: 0.8424 (mt) cc_final: 0.7866 (mt) REVERT: A 973 GLU cc_start: 0.7106 (tt0) cc_final: 0.6647 (tm-30) REVERT: A 990 ILE cc_start: 0.7911 (OUTLIER) cc_final: 0.7521 (mp) REVERT: B 168 GLU cc_start: 0.8245 (OUTLIER) cc_final: 0.7865 (tt0) REVERT: B 346 MET cc_start: 0.7741 (OUTLIER) cc_final: 0.6534 (mpp) REVERT: B 482 LEU cc_start: 0.8432 (OUTLIER) cc_final: 0.7971 (mm) REVERT: B 496 LYS cc_start: 0.8400 (mttt) cc_final: 0.8164 (mttp) REVERT: B 570 MET cc_start: 0.8312 (ttp) cc_final: 0.8051 (ttm) REVERT: B 859 GLN cc_start: 0.7530 (mm110) cc_final: 0.7321 (mm-40) REVERT: B 963 GLN cc_start: 0.7686 (OUTLIER) cc_final: 0.7396 (mt0) REVERT: C 69 MET cc_start: 0.9148 (OUTLIER) cc_final: 0.8851 (mmt) REVERT: C 104 GLN cc_start: 0.8823 (OUTLIER) cc_final: 0.8113 (tt0) REVERT: C 229 THR cc_start: 0.9225 (OUTLIER) cc_final: 0.8959 (t) REVERT: C 496 LYS cc_start: 0.8336 (mtmm) cc_final: 0.8022 (mtmt) REVERT: C 527 ARG cc_start: 0.6549 (mtt180) cc_final: 0.5922 (tpm170) REVERT: C 764 ARG cc_start: 0.8511 (OUTLIER) cc_final: 0.8174 (mtp180) REVERT: C 769 MET cc_start: 0.9229 (OUTLIER) cc_final: 0.8496 (mtm) REVERT: C 798 LEU cc_start: 0.7923 (OUTLIER) cc_final: 0.7677 (tp) REVERT: C 937 VAL cc_start: 0.8250 (OUTLIER) cc_final: 0.8020 (m) outliers start: 133 outliers final: 97 residues processed: 422 average time/residue: 1.5628 time to fit residues: 764.1637 Evaluate side-chains 439 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 116 poor density : 323 time to evaluate : 2.826 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 43 ILE Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 66 GLU Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 116 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 192 GLN Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain A residue 320 SER Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 555 ARG Chi-restraints excluded: chain A residue 563 THR Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 703 ARG Chi-restraints excluded: chain A residue 712 THR Chi-restraints excluded: chain A residue 721 SER Chi-restraints excluded: chain A residue 785 ASN Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 863 GLU Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 943 MET Chi-restraints excluded: chain A residue 990 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1004 SER Chi-restraints excluded: chain A residue 1022 THR Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 139 ILE Chi-restraints excluded: chain B residue 168 GLU Chi-restraints excluded: chain B residue 179 GLN Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 231 THR Chi-restraints excluded: chain B residue 233 THR Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 310 VAL Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 406 ASP Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 426 LYS Chi-restraints excluded: chain B residue 452 VAL Chi-restraints excluded: chain B residue 482 LEU Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 798 LEU Chi-restraints excluded: chain B residue 813 SER Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 963 GLN Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 994 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1014 VAL Chi-restraints excluded: chain B residue 1022 THR Chi-restraints excluded: chain B residue 1034 VAL Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 37 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 69 MET Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 104 GLN Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 138 MET Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 229 THR Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 257 ASN Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 452 VAL Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 535 THR Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 702 MET Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 769 MET Chi-restraints excluded: chain C residue 798 LEU Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 871 ILE Chi-restraints excluded: chain C residue 893 SER Chi-restraints excluded: chain C residue 933 ILE Chi-restraints excluded: chain C residue 937 VAL Chi-restraints excluded: chain C residue 951 ILE Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 184 optimal weight: 5.9990 chunk 296 optimal weight: 1.9990 chunk 180 optimal weight: 2.9990 chunk 140 optimal weight: 0.9980 chunk 205 optimal weight: 3.9990 chunk 310 optimal weight: 0.8980 chunk 286 optimal weight: 3.9990 chunk 247 optimal weight: 2.9990 chunk 25 optimal weight: 8.9990 chunk 191 optimal weight: 0.9990 chunk 151 optimal weight: 2.9990 overall best weight: 1.5786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 762 GLN ** B 859 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8122 moved from start: 0.2881 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.040 24515 Z= 0.221 Angle : 0.436 5.972 33040 Z= 0.231 Chirality : 0.039 0.144 3839 Planarity : 0.003 0.040 4147 Dihedral : 9.210 168.006 3844 Min Nonbonded Distance : 2.172 Molprobity Statistics. All-atom Clashscore : 15.66 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.91 % Favored : 96.09 % Rotamer: Outliers : 4.67 % Allowed : 22.87 % Favored : 72.47 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.08 (0.16), residues: 3120 helix: 2.07 (0.13), residues: 1689 sheet: -0.19 (0.25), residues: 491 loop : -1.33 (0.20), residues: 940 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.001 TRP B1016 HIS 0.002 0.001 HIS C 46 PHE 0.016 0.001 PHE A 457 TYR 0.010 0.001 TYR C 77 ARG 0.003 0.000 ARG C 683 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 6240 Ramachandran restraints generated. 3120 Oldfield, 0 Emsley, 3120 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Residue MET 1 is missing expected H atoms. Skipping. Residue ALA 2 is missing expected H atoms. Skipping. Residue ILE 6 is missing expected H atoms. Skipping. Residue ILE 10 is missing expected H atoms. Skipping. Residue ALA 12 is missing expected H atoms. Skipping. Residue VAL 14 is missing expected H atoms. Skipping. Residue ILE 15 is missing expected H atoms. Skipping. Residue ILE 17 is missing expected H atoms. Skipping. Residue ILE 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue ALA 21 is missing expected H atoms. Skipping. Residue ALA 22 is missing expected H atoms. Skipping. Residue ILE 24 is missing expected H atoms. Skipping. Residue ILE 27 is missing expected H atoms. Skipping. Residue LEU 30 is missing expected H atoms. Skipping. Residue VAL 32 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue ILE 43 is missing expected H atoms. Skipping. Residue THR 44 is missing expected H atoms. Skipping. Residue LEU 45 is missing expected H atoms. Skipping. Residue ALA 47 is missing expected H atoms. Skipping. Residue ILE 48 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue ALA 54 is missing expected H atoms. Skipping. Residue VAL 56 is missing expected H atoms. Skipping. Residue MET 57 is missing expected H atoms. Skipping. Residue VAL 61 is missing expected H atoms. Skipping. Residue LEU 62 is missing expected H atoms. Skipping. Residue VAL 64 is missing expected H atoms. Skipping. Residue ILE 65 is missing expected H atoms. Skipping. Residue MET 69 is missing expected H atoms. Skipping. Residue VAL 72 is missing expected H atoms. Skipping. Residue LEU 75 is missing expected H atoms. Skipping. Residue MET 78 is missing expected H atoms. Skipping. Residue THR 80 is missing expected H atoms. Skipping. Residue ALA 82 is missing expected H atoms. Skipping. Residue VAL 90 is missing expected H atoms. Skipping. Residue LEU 92 is missing expected H atoms. Skipping. Residue THR 93 is missing expected H atoms. Skipping. Residue THR 95 is missing expected H atoms. Skipping. Residue THR 98 is missing expected H atoms. Skipping. Residue LEU 102 is missing expected H atoms. Skipping. Residue ALA 103 is missing expected H atoms. Skipping. Residue VAL 105 is missing expected H atoms. Skipping. Residue VAL 107 is missing expected H atoms. Skipping. Residue LEU 111 is missing expected H atoms. Skipping. Residue VAL 114 is missing expected H atoms. Skipping. Residue LEU 115 is missing expected H atoms. Skipping. Residue THR 117 is missing expected H atoms. Skipping. Residue LEU 118 is missing expected H atoms. Skipping. Residue ALA 120 is missing expected H atoms. Skipping. Residue THR 121 is missing expected H atoms. Skipping. Residue VAL 122 is missing expected H atoms. Skipping. Residue VAL 127 is missing expected H atoms. Skipping. Residue THR 128 is missing expected H atoms. Skipping. Residue VAL 129 is missing expected H atoms. Skipping. Residue ALA 132 is missing expected H atoms. Skipping. Residue LEU 137 is missing expected H atoms. Skipping. Residue MET 138 is missing expected H atoms. Skipping. Residue ILE 139 is missing expected H atoms. Skipping. Residue VAL 140 is missing expected H atoms. Skipping. Residue MET 141 is missing expected H atoms. Skipping. Residue LEU 142 is missing expected H atoms. Skipping. Residue VAL 146 is missing expected H atoms. Skipping. Residue THR 149 is missing expected H atoms. Skipping. Residue MET 152 is missing expected H atoms. Skipping. Residue ALA 156 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue VAL 161 is missing expected H atoms. Skipping. Residue LEU 164 is missing expected H atoms. Skipping. Residue ILE 167 is missing expected H atoms. Skipping. Residue VAL 170 is missing expected H atoms. Skipping. Residue VAL 173 is missing expected H atoms. Skipping. Residue LEU 175 is missing expected H atoms. Skipping. Residue ALA 178 is missing expected H atoms. Skipping. Residue ALA 181 is missing expected H atoms. Skipping. Residue MET 182 is missing expected H atoms. Skipping. Residue ILE 184 is missing expected H atoms. Skipping. Residue VAL 186 is missing expected H atoms. Skipping. Residue LEU 191 is missing expected H atoms. Skipping. Residue LEU 196 is missing expected H atoms. Skipping. Residue ALA 199 is missing expected H atoms. Skipping. Residue VAL 201 is missing expected H atoms. Skipping. Residue ALA 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue ALA 207 is missing expected H atoms. Skipping. Residue ILE 210 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue ALA 214 is missing expected H atoms. Skipping. Residue ILE 217 is missing expected H atoms. Skipping. Residue ALA 222 is missing expected H atoms. Skipping. Residue VAL 223 is missing expected H atoms. Skipping. Residue THR 227 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 229 is missing expected H atoms. Skipping. Residue ALA 230 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue VAL 232 is missing expected H atoms. Skipping. Residue THR 233 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue LEU 238 is missing expected H atoms. Skipping. Residue THR 240 is missing expected H atoms. Skipping. Residue ALA 241 is missing expected H atoms. Skipping. Residue VAL 247 is missing expected H atoms. Skipping. Residue ILE 248 is missing expected H atoms. Skipping. Residue LEU 249 is missing expected H atoms. Skipping. Residue ALA 251 is missing expected H atoms. Skipping. Residue THR 253 is missing expected H atoms. Skipping. Residue ILE 258 is missing expected H atoms. Skipping. Residue LEU 260 is missing expected H atoms. Skipping. Residue VAL 263 is missing expected H atoms. Skipping. Residue ALA 264 is missing expected H atoms. Skipping. Residue VAL 266 is missing expected H atoms. Skipping. Residue LEU 268 is missing expected H atoms. Skipping. Residue MET 270 is missing expected H atoms. Skipping. Residue THR 277 is missing expected H atoms. Skipping. Residue LEU 279 is missing expected H atoms. Skipping. Residue VAL 282 is missing expected H atoms. Skipping. Residue THR 284 is missing expected H atoms. Skipping. Residue THR 285 is missing expected H atoms. Skipping. Residue MET 287 is missing expected H atoms. Skipping. Residue ALA 288 is missing expected H atoms. Skipping. Residue VAL 289 is missing expected H atoms. Skipping. Residue MET 290 is missing expected H atoms. Skipping. Residue LEU 291 is missing expected H atoms. Skipping. Residue ALA 297 is missing expected H atoms. Skipping. Residue MET 298 is missing expected H atoms. Skipping. Residue ALA 299 is missing expected H atoms. Skipping. Residue THR 300 is missing expected H atoms. Skipping. Residue ALA 301 is missing expected H atoms. Skipping. Residue ALA 303 is missing expected H atoms. Skipping. Residue VAL 304 is missing expected H atoms. Skipping. Residue LEU 308 is missing expected H atoms. Skipping. Residue ALA 309 is missing expected H atoms. Skipping. Residue VAL 310 is missing expected H atoms. Skipping. Residue LEU 311 is missing expected H atoms. Skipping. Residue MET 319 is missing expected H atoms. Skipping. Residue THR 323 is missing expected H atoms. Skipping. Residue THR 327 is missing expected H atoms. Skipping. Residue VAL 331 is missing expected H atoms. Skipping. Residue ILE 333 is missing expected H atoms. Skipping. Residue ILE 335 is missing expected H atoms. Skipping. Residue VAL 338 is missing expected H atoms. Skipping. Residue ILE 339 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue LEU 342 is missing expected H atoms. Skipping. Residue ILE 343 is missing expected H atoms. Skipping. Residue ALA 345 is missing expected H atoms. Skipping. Residue MET 346 is missing expected H atoms. Skipping. Residue VAL 347 is missing expected H atoms. Skipping. Residue LEU 348 is missing expected H atoms. Skipping. Residue VAL 349 is missing expected H atoms. Skipping. Residue VAL 351 is missing expected H atoms. Skipping. Residue VAL 352 is missing expected H atoms. Skipping. Residue MET 353 is missing expected H atoms. Skipping. Residue LEU 355 is missing expected H atoms. Skipping. Residue LEU 357 is missing expected H atoms. Skipping. Residue ILE 360 is missing expected H atoms. Skipping. Residue THR 363 is missing expected H atoms. Skipping. Residue LEU 364 is missing expected H atoms. Skipping. Residue ILE 365 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 368 is missing expected H atoms. Skipping. Residue VAL 369 is missing expected H atoms. Skipping. Residue VAL 370 is missing expected H atoms. Skipping. Residue ILE 372 is missing expected H atoms. Skipping. Residue LEU 374 is missing expected H atoms. Skipping. Residue LEU 375 is missing expected H atoms. Skipping. Residue ALA 379 is missing expected H atoms. Skipping. Residue ILE 381 is missing expected H atoms. Skipping. Residue MET 384 is missing expected H atoms. Skipping. Residue MET 386 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue LEU 391 is missing expected H atoms. Skipping. Residue THR 392 is missing expected H atoms. Skipping. Residue MET 393 is missing expected H atoms. Skipping. Residue ALA 395 is missing expected H atoms. Skipping. Residue MET 396 is missing expected H atoms. Skipping. Residue ILE 397 is missing expected H atoms. Skipping. Residue LEU 398 is missing expected H atoms. Skipping. Residue VAL 399 is missing expected H atoms. Skipping. Residue ILE 400 is missing expected H atoms. Skipping. Residue ILE 402 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue VAL 404 is missing expected H atoms. Skipping. Residue ALA 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue VAL 409 is missing expected H atoms. Skipping. Residue VAL 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue VAL 414 is missing expected H atoms. Skipping. Residue ILE 417 is missing expected H atoms. Skipping. Residue MET 418 is missing expected H atoms. Skipping. Residue ALA 419 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 428 is missing expected H atoms. Skipping. Residue THR 429 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue MET 433 is missing expected H atoms. Skipping. Residue ILE 436 is missing expected H atoms. Skipping. Residue ALA 439 is missing expected H atoms. Skipping. Residue VAL 440 is missing expected H atoms. Skipping. Residue ILE 441 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue THR 444 is missing expected H atoms. Skipping. Residue VAL 446 is missing expected H atoms. Skipping. Residue LEU 447 is missing expected H atoms. Skipping. Residue ILE 448 is missing expected H atoms. Skipping. Residue VAL 450 is missing expected H atoms. Skipping. Residue VAL 452 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue ALA 455 is missing expected H atoms. Skipping. Residue MET 456 is missing expected H atoms. Skipping. Residue ALA 460 is missing expected H atoms. Skipping. Residue ALA 461 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ALA 469 is missing expected H atoms. Skipping. Residue LEU 470 is missing expected H atoms. Skipping. Residue THR 471 is missing expected H atoms. Skipping. Residue MET 472 is missing expected H atoms. Skipping. Residue ALA 473 is missing expected H atoms. Skipping. Residue ILE 476 is missing expected H atoms. Skipping. Residue ALA 477 is missing expected H atoms. Skipping. Residue ALA 480 is missing expected H atoms. Skipping. Residue LEU 482 is missing expected H atoms. Skipping. Residue ALA 483 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue THR 485 is missing expected H atoms. Skipping. Residue LEU 486 is missing expected H atoms. Skipping. Residue THR 487 is missing expected H atoms. Skipping. Residue ALA 489 is missing expected H atoms. Skipping. Residue LEU 490 is missing expected H atoms. Skipping. Residue ALA 492 is missing expected H atoms. Skipping. Residue THR 493 is missing expected H atoms. Skipping. Residue MET 494 is missing expected H atoms. Skipping. Residue LEU 495 is missing expected H atoms. Skipping. Residue THR 497 is missing expected H atoms. Skipping. Residue ILE 498 is missing expected H atoms. Skipping. Residue THR 521 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 529 is missing expected H atoms. Skipping. Residue VAL 531 is missing expected H atoms. Skipping. Residue LEU 532 is missing expected H atoms. Skipping. Residue THR 535 is missing expected H atoms. Skipping. Residue MET 538 is missing expected H atoms. Skipping. Residue MET 539 is missing expected H atoms. Skipping. Residue VAL 540 is missing expected H atoms. Skipping. Residue VAL 541 is missing expected H atoms. Skipping. Residue ILE 543 is missing expected H atoms. Skipping. Residue LEU 545 is missing expected H atoms. Skipping. Residue ALA 546 is missing expected H atoms. Skipping. Residue VAL 547 is missing expected H atoms. Skipping. Residue VAL 548 is missing expected H atoms. Skipping. Residue VAL 550 is missing expected H atoms. Skipping. Residue LEU 552 is missing expected H atoms. Skipping. Residue MET 554 is missing expected H atoms. Skipping. Residue LEU 556 is missing expected H atoms. Skipping. Residue THR 558 is missing expected H atoms. Skipping. Residue LEU 561 is missing expected H atoms. Skipping. Residue THR 563 is missing expected H atoms. Skipping. Residue VAL 569 is missing expected H atoms. Skipping. Residue MET 570 is missing expected H atoms. Skipping. Residue VAL 571 is missing expected H atoms. Skipping. Residue VAL 573 is missing expected H atoms. Skipping. Residue LEU 575 is missing expected H atoms. Skipping. Residue ALA 577 is missing expected H atoms. Skipping. Residue ALA 579 is missing expected H atoms. Skipping. Residue THR 580 is missing expected H atoms. Skipping. Residue THR 584 is missing expected H atoms. Skipping. Residue ALA 586 is missing expected H atoms. Skipping. Residue THR 587 is missing expected H atoms. Skipping. Residue LEU 588 is missing expected H atoms. Skipping. Residue ALA 589 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue THR 592 is missing expected H atoms. Skipping. Residue LEU 594 is missing expected H atoms. Skipping. Residue ALA 595 is missing expected H atoms. Skipping. Residue ILE 598 is missing expected H atoms. Skipping. Residue ILE 601 is missing expected H atoms. Skipping. Residue ILE 604 is missing expected H atoms. Skipping. Residue ILE 605 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue VAL 607 is missing expected H atoms. Skipping. Residue MET 619 is missing expected H atoms. Skipping. Residue ALA 620 is missing expected H atoms. Skipping. Residue MET 621 is missing expected H atoms. Skipping. Residue ALA 624 is missing expected H atoms. Skipping. Residue ILE 625 is missing expected H atoms. Skipping. Residue LEU 626 is missing expected H atoms. Skipping. Residue THR 633 is missing expected H atoms. Skipping. Residue ALA 634 is missing expected H atoms. Skipping. Residue ALA 639 is missing expected H atoms. Skipping. Residue VAL 640 is missing expected H atoms. Skipping. Residue ALA 641 is missing expected H atoms. Skipping. Residue VAL 642 is missing expected H atoms. Skipping. Residue ALA 643 is missing expected H atoms. Skipping. Residue LEU 646 is missing expected H atoms. Skipping. Residue THR 647 is missing expected H atoms. Skipping. Residue MET 649 is missing expected H atoms. Skipping. Residue MET 650 is missing expected H atoms. Skipping. Residue MET 651 is missing expected H atoms. Skipping. Residue THR 653 is missing expected H atoms. Skipping. Residue LEU 654 is missing expected H atoms. Skipping. Residue ILE 660 is missing expected H atoms. Skipping. Residue ALA 661 is missing expected H atoms. Skipping. Residue VAL 662 is missing expected H atoms. Skipping. Residue VAL 663 is missing expected H atoms. Skipping. Residue ILE 667 is missing expected H atoms. Skipping. Residue LEU 668 is missing expected H atoms. Skipping. Residue LEU 670 is missing expected H atoms. Skipping. Residue LEU 676 is missing expected H atoms. Skipping. Residue ILE 678 is missing expected H atoms. Skipping. Residue LEU 680 is missing expected H atoms. Skipping. Residue THR 686 is missing expected H atoms. Skipping. Residue THR 689 is missing expected H atoms. Skipping. Residue ALA 690 is missing expected H atoms. Skipping. Residue LEU 691 is missing expected H atoms. Skipping. Residue LEU 692 is missing expected H atoms. Skipping. Residue ALA 693 is missing expected H atoms. Skipping. Residue LEU 698 is missing expected H atoms. Skipping. Residue ILE 699 is missing expected H atoms. Skipping. Residue MET 702 is missing expected H atoms. Skipping. Residue ALA 704 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue THR 712 is missing expected H atoms. Skipping. Residue VAL 713 is missing expected H atoms. Skipping. Residue ALA 715 is missing expected H atoms. Skipping. Residue LEU 718 is missing expected H atoms. Skipping. Residue LEU 724 is missing expected H atoms. Skipping. Residue ILE 726 is missing expected H atoms. Skipping. Residue ILE 728 is missing expected H atoms. Skipping. Residue ALA 731 is missing expected H atoms. Skipping. Residue ALA 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue ALA 734 is missing expected H atoms. Skipping. Residue ALA 735 is missing expected H atoms. Skipping. Residue VAL 738 is missing expected H atoms. Skipping. Residue ALA 741 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue THR 745 is missing expected H atoms. Skipping. Residue ALA 746 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue ALA 748 is missing expected H atoms. Skipping. Residue ALA 750 is missing expected H atoms. Skipping. Residue LEU 751 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue LEU 765 is missing expected H atoms. Skipping. Residue VAL 768 is missing expected H atoms. Skipping. Residue MET 769 is missing expected H atoms. Skipping. Residue VAL 770 is missing expected H atoms. Skipping. Residue ALA 772 is missing expected H atoms. Skipping. Residue ALA 776 is missing expected H atoms. Skipping. Residue MET 778 is missing expected H atoms. Skipping. Residue ALA 781 is missing expected H atoms. Skipping. Residue ILE 783 is missing expected H atoms. Skipping. Residue LEU 784 is missing expected H atoms. Skipping. Residue LEU 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue VAL 788 is missing expected H atoms. Skipping. Residue ILE 794 is missing expected H atoms. Skipping. Residue ALA 795 is missing expected H atoms. Skipping. Residue VAL 796 is missing expected H atoms. Skipping. Residue LEU 798 is missing expected H atoms. Skipping. Residue ILE 801 is missing expected H atoms. Skipping. Residue ALA 802 is missing expected H atoms. Skipping. Residue THR 803 is missing expected H atoms. Skipping. Residue VAL 804 is missing expected H atoms. Skipping. Residue MET 808 is missing expected H atoms. Skipping. Residue THR 810 is missing expected H atoms. Skipping. Residue VAL 814 is missing expected H atoms. Skipping. Residue ALA 821 is missing expected H atoms. Skipping. Residue MET 822 is missing expected H atoms. Skipping. Residue LEU 824 is missing expected H atoms. Skipping. Residue ALA 829 is missing expected H atoms. Skipping. Residue THR 830 is missing expected H atoms. Skipping. Residue VAL 832 is missing expected H atoms. Skipping. Residue THR 834 is missing expected H atoms. Skipping. Residue ALA 837 is missing expected H atoms. Skipping. Residue MET 838 is missing expected H atoms. Skipping. Residue ALA 840 is missing expected H atoms. Skipping. Residue VAL 841 is missing expected H atoms. Skipping. Residue MET 844 is missing expected H atoms. Skipping. Residue VAL 845 is missing expected H atoms. Skipping. Residue LEU 848 is missing expected H atoms. Skipping. Residue LEU 854 is missing expected H atoms. Skipping. Residue ALA 864 is missing expected H atoms. Skipping. Residue THR 870 is missing expected H atoms. Skipping. Residue ILE 871 is missing expected H atoms. Skipping. Residue ALA 872 is missing expected H atoms. Skipping. Residue LEU 873 is missing expected H atoms. Skipping. Residue ALA 875 is missing expected H atoms. Skipping. Residue LEU 876 is missing expected H atoms. Skipping. Residue ALA 877 is missing expected H atoms. Skipping. Residue ALA 878 is missing expected H atoms. Skipping. Residue VAL 879 is missing expected H atoms. Skipping. Residue ALA 880 is missing expected H atoms. Skipping. Residue VAL 881 is missing expected H atoms. Skipping. Residue LEU 883 is missing expected H atoms. Skipping. Residue VAL 884 is missing expected H atoms. Skipping. Residue LEU 885 is missing expected H atoms. Skipping. Residue ALA 886 is missing expected H atoms. Skipping. Residue ALA 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue ILE 894 is missing expected H atoms. Skipping. Residue LEU 896 is missing expected H atoms. Skipping. Residue ALA 897 is missing expected H atoms. Skipping. Residue VAL 898 is missing expected H atoms. Skipping. Residue LEU 899 is missing expected H atoms. Skipping. Residue LEU 900 is missing expected H atoms. Skipping. Residue VAL 901 is missing expected H atoms. Skipping. Residue MET 902 is missing expected H atoms. Skipping. Residue LEU 904 is missing expected H atoms. Skipping. Residue LEU 906 is missing expected H atoms. Skipping. Residue ALA 907 is missing expected H atoms. Skipping. Residue ALA 909 is missing expected H atoms. Skipping. Residue ALA 910 is missing expected H atoms. Skipping. Residue ALA 911 is missing expected H atoms. Skipping. Residue VAL 913 is missing expected H atoms. Skipping. Residue THR 914 is missing expected H atoms. Skipping. Residue LEU 918 is missing expected H atoms. Skipping. Residue ALA 930 is missing expected H atoms. Skipping. Residue ILE 933 is missing expected H atoms. Skipping. Residue VAL 937 is missing expected H atoms. Skipping. Residue VAL 940 is missing expected H atoms. Skipping. Residue THR 941 is missing expected H atoms. Skipping. Residue VAL 942 is missing expected H atoms. Skipping. Residue MET 943 is missing expected H atoms. Skipping. Residue LEU 945 is missing expected H atoms. Skipping. Residue ALA 947 is missing expected H atoms. Skipping. Residue ALA 950 is missing expected H atoms. Skipping. Residue ILE 951 is missing expected H atoms. Skipping. Residue LEU 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 954 is missing expected H atoms. Skipping. Residue ALA 957 is missing expected H atoms. Skipping. Residue ALA 962 is missing expected H atoms. Skipping. Residue ALA 967 is missing expected H atoms. Skipping. Residue VAL 968 is missing expected H atoms. Skipping. Residue ALA 970 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue LEU 972 is missing expected H atoms. Skipping. Residue ALA 974 is missing expected H atoms. Skipping. Residue ALA 975 is missing expected H atoms. Skipping. Residue LEU 977 is missing expected H atoms. Skipping. Residue ILE 982 is missing expected H atoms. Skipping. Residue ILE 983 is missing expected H atoms. Skipping. Residue MET 984 is missing expected H atoms. Skipping. Residue THR 985 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 990 is missing expected H atoms. Skipping. Residue LEU 991 is missing expected H atoms. Skipping. Residue VAL 993 is missing expected H atoms. Skipping. Residue VAL 994 is missing expected H atoms. Skipping. Residue LEU 996 is missing expected H atoms. Skipping. Residue ILE 998 is missing expected H atoms. Skipping. Residue ALA 999 is missing expected H atoms. Skipping. Residue ALA 1002 is missing expected H atoms. Skipping. Residue ALA 1005 is missing expected H atoms. Skipping. Residue ALA 1009 is missing expected H atoms. Skipping. Residue ILE 1010 is missing expected H atoms. Skipping. Residue THR 1012 is missing expected H atoms. Skipping. Residue THR 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1020 is missing expected H atoms. Skipping. Residue THR 1022 is missing expected H atoms. Skipping. Residue LEU 1023 is missing expected H atoms. Skipping. Residue LEU 1024 is missing expected H atoms. Skipping. Residue VAL 1026 is missing expected H atoms. Skipping. Residue LEU 1028 is missing expected H atoms. Skipping. Residue VAL 1029 is missing expected H atoms. Skipping. Residue LEU 1031 is missing expected H atoms. Skipping. Residue VAL 1034 is missing expected H atoms. Skipping. Residue VAL 1035 is missing expected H atoms. Skipping. Residue VAL 1036 is missing expected H atoms. Skipping. Evaluate side-chains 443 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 117 poor density : 326 time to evaluate : 2.968 Fit side-chains revert: symmetry clash revert: symmetry clash REVERT: A 34 GLN cc_start: 0.8617 (OUTLIER) cc_final: 0.7760 (tt0) REVERT: A 58 GLU cc_start: 0.7925 (OUTLIER) cc_final: 0.7498 (tt0) REVERT: A 192 GLN cc_start: 0.7790 (OUTLIER) cc_final: 0.7492 (tt0) REVERT: A 415 GLU cc_start: 0.8135 (OUTLIER) cc_final: 0.7468 (pp20) REVERT: A 466 LYS cc_start: 0.8276 (tttt) cc_final: 0.7918 (tttp) REVERT: A 555 ARG cc_start: 0.7386 (OUTLIER) cc_final: 0.7123 (ptt-90) REVERT: A 628 ASP cc_start: 0.7823 (OUTLIER) cc_final: 0.7567 (t70) REVERT: A 838 MET cc_start: 0.8216 (mtt) cc_final: 0.7853 (mtm) REVERT: A 863 GLU cc_start: 0.7021 (OUTLIER) cc_final: 0.6721 (mp0) REVERT: A 942 VAL cc_start: 0.8605 (p) cc_final: 0.8244 (m) REVERT: A 945 LEU cc_start: 0.8342 (mt) cc_final: 0.7796 (mt) REVERT: A 973 GLU cc_start: 0.7095 (tt0) cc_final: 0.6745 (tm-30) REVERT: A 990 ILE cc_start: 0.7893 (OUTLIER) cc_final: 0.7504 (mp) REVERT: B 168 GLU cc_start: 0.8232 (OUTLIER) cc_final: 0.7857 (tt0) REVERT: B 346 MET cc_start: 0.7724 (OUTLIER) cc_final: 0.6526 (mpp) REVERT: B 482 LEU cc_start: 0.8420 (OUTLIER) cc_final: 0.7955 (mm) REVERT: B 496 LYS cc_start: 0.8397 (mttt) cc_final: 0.8172 (mttp) REVERT: B 570 MET cc_start: 0.8306 (ttp) cc_final: 0.8023 (ttm) REVERT: B 859 GLN cc_start: 0.7520 (mm110) cc_final: 0.7308 (mm-40) REVERT: B 963 GLN cc_start: 0.7680 (OUTLIER) cc_final: 0.7389 (mt0) REVERT: B 966 SER cc_start: 0.8577 (t) cc_final: 0.8307 (p) REVERT: C 69 MET cc_start: 0.9128 (OUTLIER) cc_final: 0.8827 (mmt) REVERT: C 104 GLN cc_start: 0.8810 (OUTLIER) cc_final: 0.8069 (tt0) REVERT: C 229 THR cc_start: 0.9213 (OUTLIER) cc_final: 0.8970 (t) REVERT: C 496 LYS cc_start: 0.8304 (mtmm) cc_final: 0.8058 (mtmt) REVERT: C 527 ARG cc_start: 0.6515 (mtt180) cc_final: 0.5848 (tpm170) REVERT: C 764 ARG cc_start: 0.8489 (OUTLIER) cc_final: 0.8192 (mtp180) REVERT: C 769 MET cc_start: 0.9225 (OUTLIER) cc_final: 0.8556 (mtm) REVERT: C 798 LEU cc_start: 0.7924 (OUTLIER) cc_final: 0.7678 (tp) outliers start: 117 outliers final: 89 residues processed: 411 average time/residue: 1.5694 time to fit residues: 745.5493 Evaluate side-chains 429 residues out of total 2506 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 107 poor density : 322 time to evaluate : 2.766 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 34 GLN Chi-restraints excluded: chain A residue 43 ILE Chi-restraints excluded: chain A residue 58 GLU Chi-restraints excluded: chain A residue 66 GLU Chi-restraints excluded: chain A residue 80 THR Chi-restraints excluded: chain A residue 91 SER Chi-restraints excluded: chain A residue 116 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 192 GLN Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 233 THR Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 352 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 389 ASN Chi-restraints excluded: chain A residue 408 ILE Chi-restraints excluded: chain A residue 415 GLU Chi-restraints excluded: chain A residue 446 VAL Chi-restraints excluded: chain A residue 449 SER Chi-restraints excluded: chain A residue 450 VAL Chi-restraints excluded: chain A residue 555 ARG Chi-restraints excluded: chain A residue 563 THR Chi-restraints excluded: chain A residue 593 GLN Chi-restraints excluded: chain A residue 628 ASP Chi-restraints excluded: chain A residue 703 ARG Chi-restraints excluded: chain A residue 721 SER Chi-restraints excluded: chain A residue 785 ASN Chi-restraints excluded: chain A residue 800 SER Chi-restraints excluded: chain A residue 824 LEU Chi-restraints excluded: chain A residue 853 SER Chi-restraints excluded: chain A residue 863 GLU Chi-restraints excluded: chain A residue 873 LEU Chi-restraints excluded: chain A residue 943 MET Chi-restraints excluded: chain A residue 990 ILE Chi-restraints excluded: chain A residue 991 LEU Chi-restraints excluded: chain A residue 994 VAL Chi-restraints excluded: chain A residue 1004 SER Chi-restraints excluded: chain A residue 1022 THR Chi-restraints excluded: chain A residue 1025 SER Chi-restraints excluded: chain A residue 1036 VAL Chi-restraints excluded: chain B residue 44 THR Chi-restraints excluded: chain B residue 66 GLU Chi-restraints excluded: chain B residue 80 THR Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 116 SER Chi-restraints excluded: chain B residue 139 ILE Chi-restraints excluded: chain B residue 168 GLU Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 231 THR Chi-restraints excluded: chain B residue 240 THR Chi-restraints excluded: chain B residue 310 VAL Chi-restraints excluded: chain B residue 346 MET Chi-restraints excluded: chain B residue 381 ILE Chi-restraints excluded: chain B residue 409 VAL Chi-restraints excluded: chain B residue 482 LEU Chi-restraints excluded: chain B residue 500 LYS Chi-restraints excluded: chain B residue 528 VAL Chi-restraints excluded: chain B residue 597 SER Chi-restraints excluded: chain B residue 653 THR Chi-restraints excluded: chain B residue 707 LEU Chi-restraints excluded: chain B residue 796 VAL Chi-restraints excluded: chain B residue 798 LEU Chi-restraints excluded: chain B residue 804 VAL Chi-restraints excluded: chain B residue 813 SER Chi-restraints excluded: chain B residue 854 LEU Chi-restraints excluded: chain B residue 913 VAL Chi-restraints excluded: chain B residue 918 LEU Chi-restraints excluded: chain B residue 926 VAL Chi-restraints excluded: chain B residue 946 SER Chi-restraints excluded: chain B residue 963 GLN Chi-restraints excluded: chain B residue 993 VAL Chi-restraints excluded: chain B residue 1010 ILE Chi-restraints excluded: chain B residue 1014 VAL Chi-restraints excluded: chain B residue 1022 THR Chi-restraints excluded: chain B residue 1034 VAL Chi-restraints excluded: chain C residue 3 LYS Chi-restraints excluded: chain C residue 29 SER Chi-restraints excluded: chain C residue 37 SER Chi-restraints excluded: chain C residue 56 VAL Chi-restraints excluded: chain C residue 69 MET Chi-restraints excluded: chain C residue 80 THR Chi-restraints excluded: chain C residue 104 GLN Chi-restraints excluded: chain C residue 114 VAL Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 229 THR Chi-restraints excluded: chain C residue 237 GLN Chi-restraints excluded: chain C residue 257 ASN Chi-restraints excluded: chain C residue 399 VAL Chi-restraints excluded: chain C residue 408 ILE Chi-restraints excluded: chain C residue 452 VAL Chi-restraints excluded: chain C residue 454 LEU Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 528 VAL Chi-restraints excluded: chain C residue 535 THR Chi-restraints excluded: chain C residue 554 MET Chi-restraints excluded: chain C residue 697 GLU Chi-restraints excluded: chain C residue 702 MET Chi-restraints excluded: chain C residue 752 SER Chi-restraints excluded: chain C residue 764 ARG Chi-restraints excluded: chain C residue 769 MET Chi-restraints excluded: chain C residue 798 LEU Chi-restraints excluded: chain C residue 801 ILE Chi-restraints excluded: chain C residue 871 ILE Chi-restraints excluded: chain C residue 893 SER Chi-restraints excluded: chain C residue 951 ILE Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 312 random chunks: chunk 196 optimal weight: 0.5980 chunk 263 optimal weight: 0.9990 chunk 75 optimal weight: 5.9990 chunk 228 optimal weight: 5.9990 chunk 36 optimal weight: 0.0670 chunk 68 optimal weight: 4.9990 chunk 247 optimal weight: 3.9990 chunk 103 optimal weight: 0.7980 chunk 254 optimal weight: 1.9990 chunk 31 optimal weight: 0.4980 chunk 45 optimal weight: 6.9990 overall best weight: 0.5920 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 55 GLN ** A 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 GLN B 762 GLN ** B 859 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 211 GLN Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3416 r_free = 0.3416 target = 0.123950 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 38)----------------| | r_work = 0.3102 r_free = 0.3102 target = 0.099617 restraints weight = 41766.399| |-----------------------------------------------------------------------------| r_work (start): 0.3125 rms_B_bonded: 1.80 r_work: 0.2994 rms_B_bonded: 2.49 restraints_weight: 0.5000 r_work: 0.2860 rms_B_bonded: 4.16 restraints_weight: 0.2500 r_work (final): 0.2860 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8264 moved from start: 0.2967 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.045 24515 Z= 0.114 Angle : 0.383 5.934 33040 Z= 0.204 Chirality : 0.037 0.137 3839 Planarity : 0.003 0.037 4147 Dihedral : 8.588 167.241 3844 Min Nonbonded Distance : 2.185 Molprobity Statistics. All-atom Clashscore : 16.15 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.85 % Favored : 97.15 % Rotamer: Outliers : 3.23 % Allowed : 24.34 % Favored : 72.43 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.47 (0.16), residues: 3120 helix: 2.42 (0.13), residues: 1685 sheet: -0.07 (0.25), residues: 489 loop : -1.16 (0.20), residues: 946 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.010 0.001 TRP B1016 HIS 0.001 0.000 HIS C 46 PHE 0.016 0.001 PHE A 457 TYR 0.009 0.001 TYR B 77 ARG 0.002 0.000 ARG A 166 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 11282.51 seconds wall clock time: 198 minutes 30.76 seconds (11910.76 seconds total)