Starting phenix.real_space_refine on Sat Mar 7 07:57:55 2026 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/cci-nas-00/data/ceres_data/9r1q_53512/03_2026/9r1q_53512_trim.cif Found real_map, /net/cci-nas-00/data/ceres_data/9r1q_53512/03_2026/9r1q_53512.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.24 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { model { file = "/net/cci-nas-00/data/ceres_data/9r1q_53512/03_2026/9r1q_53512_trim.cif" } default_model = "/net/cci-nas-00/data/ceres_data/9r1q_53512/03_2026/9r1q_53512_trim.cif" real_map_files = "/net/cci-nas-00/data/ceres_data/9r1q_53512/03_2026/9r1q_53512.map" default_real_map = "/net/cci-nas-00/data/ceres_data/9r1q_53512/03_2026/9r1q_53512.map" } resolution = 2.24 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.002 sd= 0.055 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 5 Type Number sf(0) Gaussians S 186 5.16 5 C 20337 2.51 5 N 4980 2.21 5 O 6753 1.98 5 H 6342 0.53 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped. Time to flip 9 residue(s): 0.02s Monomer Library directory: "/net/cci-filer3/home/dcliebschner/04_cryoem/Phenix-dev-5986/lib/python3.9/site-packages/chem_data/mon_lib" Total number of atoms: 38598 Number of models: 1 Model: "" Number of chains: 54 Chain: "A" Number of atoms: 11947 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1259, 11947 Classifications: {'peptide': 1259} Link IDs: {'PTRANS': 48, 'TRANS': 1210} Chain breaks: 7 Chain: "B" Number of atoms: 11947 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1259, 11947 Classifications: {'peptide': 1259} Link IDs: {'PTRANS': 48, 'TRANS': 1210} Chain breaks: 7 Chain: "C" Number of atoms: 11947 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1259, 11947 Classifications: {'peptide': 1259} Link IDs: {'PTRANS': 48, 'TRANS': 1210} Chain breaks: 7 Chain: "D" Number of atoms: 61 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 61 Unusual residues: {'BMA': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "E" Number of atoms: 39 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 39 Unusual residues: {'BMA': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "F" Number of atoms: 60 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 60 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 1, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "G" Number of atoms: 39 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 39 Unusual residues: {'BMA': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "H" Number of atoms: 50 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 50 Unusual residues: {'BMA': 1, 'MAN': 1, 'NAG': 2} Classifications: {'undetermined': 4} Link IDs: {None: 3} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "I" Number of atoms: 39 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 39 Unusual residues: {'BMA': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "J" Number of atoms: 61 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 61 Unusual residues: {'BMA': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "K" Number of atoms: 50 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 50 Unusual residues: {'BMA': 1, 'MAN': 1, 'NAG': 2} Classifications: {'undetermined': 4} Link IDs: {None: 3} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "L" Number of atoms: 71 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 71 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "M" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "N" Number of atoms: 49 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 49 Unusual residues: {'BMA': 1, 'FUC': 1, 'NAG': 2} Classifications: {'undetermined': 4} Link IDs: {None: 3} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "O" Number of atoms: 71 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 71 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "P" Number of atoms: 24 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 24 Unusual residues: {'FUC': 1, 'NAG': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "Q" Number of atoms: 71 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 71 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "R" Number of atoms: 38 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 38 Unusual residues: {'FUC': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "S" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "T" Number of atoms: 61 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 61 Unusual residues: {'BMA': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "U" Number of atoms: 39 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 39 Unusual residues: {'BMA': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "V" Number of atoms: 60 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 60 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 1, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "W" Number of atoms: 39 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 39 Unusual residues: {'BMA': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "X" Number of atoms: 50 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 50 Unusual residues: {'BMA': 1, 'MAN': 1, 'NAG': 2} Classifications: {'undetermined': 4} Link IDs: {None: 3} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "Y" Number of atoms: 39 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 39 Unusual residues: {'BMA': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "Z" Number of atoms: 61 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 61 Unusual residues: {'BMA': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "a" Number of atoms: 50 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 50 Unusual residues: {'BMA': 1, 'MAN': 1, 'NAG': 2} Classifications: {'undetermined': 4} Link IDs: {None: 3} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "b" Number of atoms: 71 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 71 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "c" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "d" Number of atoms: 49 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 49 Unusual residues: {'BMA': 1, 'FUC': 1, 'NAG': 2} Classifications: {'undetermined': 4} Link IDs: {None: 3} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "e" Number of atoms: 71 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 71 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "f" Number of atoms: 24 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 24 Unusual residues: {'FUC': 1, 'NAG': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "g" Number of atoms: 71 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 71 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "h" Number of atoms: 38 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 38 Unusual residues: {'FUC': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "i" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "j" Number of atoms: 61 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 61 Unusual residues: {'BMA': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "k" Number of atoms: 39 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 39 Unusual residues: {'BMA': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "l" Number of atoms: 60 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 60 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 1, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "m" Number of atoms: 39 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 39 Unusual residues: {'BMA': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "n" Number of atoms: 50 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 50 Unusual residues: {'BMA': 1, 'MAN': 1, 'NAG': 2} Classifications: {'undetermined': 4} Link IDs: {None: 3} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "o" Number of atoms: 39 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 39 Unusual residues: {'BMA': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "p" Number of atoms: 61 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 61 Unusual residues: {'BMA': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "q" Number of atoms: 50 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 50 Unusual residues: {'BMA': 1, 'MAN': 1, 'NAG': 2} Classifications: {'undetermined': 4} Link IDs: {None: 3} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "r" Number of atoms: 71 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 71 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "s" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "t" Number of atoms: 49 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 49 Unusual residues: {'BMA': 1, 'FUC': 1, 'NAG': 2} Classifications: {'undetermined': 4} Link IDs: {None: 3} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "u" Number of atoms: 71 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 71 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "v" Number of atoms: 24 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 24 Unusual residues: {'FUC': 1, 'NAG': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "w" Number of atoms: 71 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 71 Unusual residues: {'BMA': 1, 'FUC': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "x" Number of atoms: 38 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 38 Unusual residues: {'FUC': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "y" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "A" Number of atoms: 140 Number of conformers: 1 Conformer: "" Number of residues, atoms: 10, 140 Unusual residues: {'NAG': 10} Classifications: {'undetermined': 10} Link IDs: {None: 9} Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 20 Unresolved non-hydrogen dihedrals: 30 Unresolved non-hydrogen chiralities: 10 Chain: "B" Number of atoms: 140 Number of conformers: 1 Conformer: "" Number of residues, atoms: 10, 140 Unusual residues: {'NAG': 10} Classifications: {'undetermined': 10} Link IDs: {None: 9} Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 20 Unresolved non-hydrogen dihedrals: 30 Unresolved non-hydrogen chiralities: 10 Chain: "C" Number of atoms: 140 Number of conformers: 1 Conformer: "" Number of residues, atoms: 10, 140 Unusual residues: {'NAG': 10} Classifications: {'undetermined': 10} Link IDs: {None: 9} Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 20 Unresolved non-hydrogen dihedrals: 30 Unresolved non-hydrogen chiralities: 10 Time building chain proxies: 8.85, per 1000 atoms: 0.23 Number of scatterers: 38598 At special positions: 0 Unit cell: (154.573, 161.104, 205.734, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 5 Type Number sf(0) S 186 16.00 O 6753 8.00 N 4980 7.00 C 20337 6.00 H 6342 1.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=54, symmetry=0 Simple disulfide: pdb=" SG CYS A 79 " - pdb=" SG CYS A 101 " distance=2.03 Simple disulfide: pdb=" SG CYS A 124 " - pdb=" SG CYS A 129 " distance=2.03 Simple disulfide: pdb=" SG CYS A 213 " - pdb=" SG CYS A 223 " distance=2.03 Simple disulfide: pdb=" SG CYS A 325 " - pdb=" SG CYS A 393 " distance=2.03 Simple disulfide: pdb=" SG CYS A 474 " - pdb=" SG CYS A 485 " distance=2.03 Simple disulfide: pdb=" SG CYS A 537 " - pdb=" SG CYS A 620 " distance=2.03 Simple disulfide: pdb=" SG CYS A 544 " - pdb=" SG CYS A 612 " distance=2.03 Simple disulfide: pdb=" SG CYS A 559 " - pdb=" SG CYS A 574 " distance=2.03 Simple disulfide: pdb=" SG CYS A 595 " - pdb=" SG CYS A 626 " distance=2.03 Simple disulfide: pdb=" SG CYS A 676 " - pdb=" SG CYS A 728 " distance=2.03 Simple disulfide: pdb=" SG CYS A 762 " - pdb=" SG CYS A 771 " distance=2.03 Simple disulfide: pdb=" SG CYS A 791 " - pdb=" SG CYS A 802 " distance=2.03 Simple disulfide: pdb=" SG CYS A 859 " - pdb=" SG CYS A 881 " distance=2.03 Simple disulfide: pdb=" SG CYS A 864 " - pdb=" SG CYS A 870 " distance=2.03 Simple disulfide: pdb=" SG CYS A 976 " - pdb=" SG CYS A 987 " distance=2.03 Simple disulfide: pdb=" SG CYS A1171 " - pdb=" SG CYS A1182 " distance=2.03 Simple disulfide: pdb=" SG CYS A1221 " - pdb=" SG CYS A1289 " distance=2.03 Simple disulfide: pdb=" SG CYS A1240 " - pdb=" SG CYS A1246 " distance=2.03 Simple disulfide: pdb=" SG CYS B 79 " - pdb=" SG CYS B 101 " distance=2.03 Simple disulfide: pdb=" SG CYS B 124 " - pdb=" SG CYS B 129 " distance=2.03 Simple disulfide: pdb=" SG CYS B 213 " - pdb=" SG CYS B 223 " distance=2.03 Simple disulfide: pdb=" SG CYS B 325 " - pdb=" SG CYS B 393 " distance=2.03 Simple disulfide: pdb=" SG CYS B 474 " - pdb=" SG CYS B 485 " distance=2.03 Simple disulfide: pdb=" SG CYS B 537 " - pdb=" SG CYS B 620 " distance=2.03 Simple disulfide: pdb=" SG CYS B 544 " - pdb=" SG CYS B 612 " distance=2.03 Simple disulfide: pdb=" SG CYS B 559 " - pdb=" SG CYS B 574 " distance=2.03 Simple disulfide: pdb=" SG CYS B 595 " - pdb=" SG CYS B 626 " distance=2.03 Simple disulfide: pdb=" SG CYS B 676 " - pdb=" SG CYS B 728 " distance=2.03 Simple disulfide: pdb=" SG CYS B 762 " - pdb=" SG CYS B 771 " distance=2.03 Simple disulfide: pdb=" SG CYS B 791 " - pdb=" SG CYS B 802 " distance=2.03 Simple disulfide: pdb=" SG CYS B 859 " - pdb=" SG CYS B 881 " distance=2.03 Simple disulfide: pdb=" SG CYS B 864 " - pdb=" SG CYS B 870 " distance=2.03 Simple disulfide: pdb=" SG CYS B 976 " - pdb=" SG CYS B 987 " distance=2.03 Simple disulfide: pdb=" SG CYS B1171 " - pdb=" SG CYS B1182 " distance=2.03 Simple disulfide: pdb=" SG CYS B1221 " - pdb=" SG CYS B1289 " distance=2.03 Simple disulfide: pdb=" SG CYS B1240 " - pdb=" SG CYS B1246 " distance=2.03 Simple disulfide: pdb=" SG CYS C 79 " - pdb=" SG CYS C 101 " distance=2.03 Simple disulfide: pdb=" SG CYS C 124 " - pdb=" SG CYS C 129 " distance=2.03 Simple disulfide: pdb=" SG CYS C 213 " - pdb=" SG CYS C 223 " distance=2.03 Simple disulfide: pdb=" SG CYS C 325 " - pdb=" SG CYS C 393 " distance=2.03 Simple disulfide: pdb=" SG CYS C 474 " - pdb=" SG CYS C 485 " distance=2.03 Simple disulfide: pdb=" SG CYS C 537 " - pdb=" SG CYS C 620 " distance=2.03 Simple disulfide: pdb=" SG CYS C 544 " - pdb=" SG CYS C 612 " distance=2.03 Simple disulfide: pdb=" SG CYS C 559 " - pdb=" SG CYS C 574 " distance=2.03 Simple disulfide: pdb=" SG CYS C 595 " - pdb=" SG CYS C 626 " distance=2.03 Simple disulfide: pdb=" SG CYS C 676 " - pdb=" SG CYS C 728 " distance=2.03 Simple disulfide: pdb=" SG CYS C 762 " - pdb=" SG CYS C 771 " distance=2.03 Simple disulfide: pdb=" SG CYS C 791 " - pdb=" SG CYS C 802 " distance=2.03 Simple disulfide: pdb=" SG CYS C 859 " - pdb=" SG CYS C 881 " distance=2.03 Simple disulfide: pdb=" SG CYS C 864 " - pdb=" SG CYS C 870 " distance=2.03 Simple disulfide: pdb=" SG CYS C 976 " - pdb=" SG CYS C 987 " distance=2.03 Simple disulfide: pdb=" SG CYS C1171 " - pdb=" SG CYS C1182 " distance=2.03 Simple disulfide: pdb=" SG CYS C1221 " - pdb=" SG CYS C1289 " distance=2.03 Simple disulfide: pdb=" SG CYS C1240 " - pdb=" SG CYS C1246 " distance=2.03 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.00 Amino acid : True - 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 Links applied ALPHA1-3 " MAN D 4 " - " MAN D 5 " " BMA J 3 " - " MAN J 4 " " BMA L 3 " - " MAN L 4 " " BMA O 3 " - " MAN O 4 " " BMA Q 3 " - " MAN Q 4 " " MAN T 4 " - " MAN T 5 " " BMA Z 3 " - " MAN Z 4 " " BMA b 3 " - " MAN b 4 " " BMA e 3 " - " MAN e 4 " " BMA g 3 " - " MAN g 4 " " MAN j 4 " - " MAN j 5 " " BMA p 3 " - " MAN p 4 " " BMA r 3 " - " MAN r 4 " " BMA u 3 " - " MAN u 4 " " BMA w 3 " - " MAN w 4 " ALPHA1-6 " BMA D 3 " - " MAN D 4 " " BMA F 3 " - " MAN F 4 " " BMA H 3 " - " MAN H 4 " " BMA J 3 " - " MAN J 5 " " BMA K 3 " - " MAN K 4 " " BMA L 3 " - " MAN L 5 " " BMA O 3 " - " MAN O 5 " " BMA Q 3 " - " MAN Q 5 " " BMA T 3 " - " MAN T 4 " " BMA V 3 " - " MAN V 4 " " BMA X 3 " - " MAN X 4 " " BMA Z 3 " - " MAN Z 5 " " BMA a 3 " - " MAN a 4 " " BMA b 3 " - " MAN b 5 " " BMA e 3 " - " MAN e 5 " " BMA g 3 " - " MAN g 5 " " BMA j 3 " - " MAN j 4 " " BMA l 3 " - " MAN l 4 " " BMA n 3 " - " MAN n 4 " " BMA p 3 " - " MAN p 5 " " BMA q 3 " - " MAN q 4 " " BMA r 3 " - " MAN r 5 " " BMA u 3 " - " MAN u 5 " " BMA w 3 " - " MAN w 5 " BETA1-4 " NAG D 1 " - " NAG D 2 " " NAG D 2 " - " BMA D 3 " " NAG E 1 " - " NAG E 2 " " NAG E 2 " - " BMA E 3 " " NAG F 1 " - " NAG F 2 " " NAG F 2 " - " BMA F 3 " " NAG G 1 " - " NAG G 2 " " NAG G 2 " - " BMA G 3 " " NAG H 1 " - " NAG H 2 " " NAG H 2 " - " BMA H 3 " " NAG I 1 " - " NAG I 2 " " NAG I 2 " - " BMA I 3 " " NAG J 1 " - " NAG J 2 " " NAG J 2 " - " BMA J 3 " " NAG K 1 " - " NAG K 2 " " NAG K 2 " - " BMA K 3 " " NAG L 1 " - " NAG L 2 " " NAG L 2 " - " BMA L 3 " " NAG M 1 " - " NAG M 2 " " NAG N 1 " - " NAG N 2 " " NAG N 2 " - " BMA N 3 " " NAG O 1 " - " NAG O 2 " " NAG O 2 " - " BMA O 3 " " NAG Q 1 " - " NAG Q 2 " " NAG Q 2 " - " BMA Q 3 " " NAG R 1 " - " NAG R 2 " " NAG S 1 " - " NAG S 2 " " NAG T 1 " - " NAG T 2 " " NAG T 2 " - " BMA T 3 " " NAG U 1 " - " NAG U 2 " " NAG U 2 " - " BMA U 3 " " NAG V 1 " - " NAG V 2 " " NAG V 2 " - " BMA V 3 " " NAG W 1 " - " NAG W 2 " " NAG W 2 " - " BMA W 3 " " NAG X 1 " - " NAG X 2 " " NAG X 2 " - " BMA X 3 " " NAG Y 1 " - " NAG Y 2 " " NAG Y 2 " - " BMA Y 3 " " NAG Z 1 " - " NAG Z 2 " " NAG Z 2 " - " BMA Z 3 " " NAG a 1 " - " NAG a 2 " " NAG a 2 " - " BMA a 3 " " NAG b 1 " - " NAG b 2 " " NAG b 2 " - " BMA b 3 " " NAG c 1 " - " NAG c 2 " " NAG d 1 " - " NAG d 2 " " NAG d 2 " - " BMA d 3 " " NAG e 1 " - " NAG e 2 " " NAG e 2 " - " BMA e 3 " " NAG g 1 " - " NAG g 2 " " NAG g 2 " - " BMA g 3 " " NAG h 1 " - " NAG h 2 " " NAG i 1 " - " NAG i 2 " " NAG j 1 " - " NAG j 2 " " NAG j 2 " - " BMA j 3 " " NAG k 1 " - " NAG k 2 " " NAG k 2 " - " BMA k 3 " " NAG l 1 " - " NAG l 2 " " NAG l 2 " - " BMA l 3 " " NAG m 1 " - " NAG m 2 " " NAG m 2 " - " BMA m 3 " " NAG n 1 " - " NAG n 2 " " NAG n 2 " - " BMA n 3 " " NAG o 1 " - " NAG o 2 " " NAG o 2 " - " BMA o 3 " " NAG p 1 " - " NAG p 2 " " NAG p 2 " - " BMA p 3 " " NAG q 1 " - " NAG q 2 " " NAG q 2 " - " BMA q 3 " " NAG r 1 " - " NAG r 2 " " NAG r 2 " - " BMA r 3 " " NAG s 1 " - " NAG s 2 " " NAG t 1 " - " NAG t 2 " " NAG t 2 " - " BMA t 3 " " NAG u 1 " - " NAG u 2 " " NAG u 2 " - " BMA u 3 " " NAG w 1 " - " NAG w 2 " " NAG w 2 " - " BMA w 3 " " NAG x 1 " - " NAG x 2 " " NAG y 1 " - " NAG y 2 " BETA1-6 " NAG F 1 " - " FUC F 5 " ~> Even though FUC is an alpha isomer, a beta linkage is required... " NAG L 1 " - " FUC L 6 " " NAG N 1 " - " FUC N 4 " " NAG O 1 " - " FUC O 6 " " NAG P 1 " - " FUC P 2 " " NAG Q 1 " - " FUC Q 6 " " NAG R 1 " - " FUC R 3 " " NAG V 1 " - " FUC V 5 " " NAG b 1 " - " FUC b 6 " " NAG d 1 " - " FUC d 4 " " NAG e 1 " - " FUC e 6 " " NAG f 1 " - " FUC f 2 " " NAG g 1 " - " FUC g 6 " " NAG h 1 " - " FUC h 3 " " NAG l 1 " - " FUC l 5 " " NAG r 1 " - " FUC r 6 " " NAG t 1 " - " FUC t 4 " " NAG u 1 " - " FUC u 6 " " NAG v 1 " - " FUC v 2 " " NAG w 1 " - " FUC w 6 " " NAG x 1 " - " FUC x 3 " NAG-ASN " NAG A1401 " - " ASN A1323 " " NAG A1402 " - " ASN A 40 " " NAG A1403 " - " ASN A 46 " " NAG A1404 " - " ASN A 172 " " NAG A1405 " - " ASN A 181 " " NAG A1406 " - " ASN A 224 " " NAG A1407 " - " ASN A 365 " " NAG A1408 " - " ASN A 757 " " NAG A1409 " - " ASN A 82 " " NAG A1410 " - " ASN A 100 " " NAG B1401 " - " ASN B1323 " " NAG B1402 " - " ASN B 40 " " NAG B1403 " - " ASN B 46 " " NAG B1404 " - " ASN B 172 " " NAG B1405 " - " ASN B 181 " " NAG B1406 " - " ASN B 224 " " NAG B1407 " - " ASN B 365 " " NAG B1408 " - " ASN B 757 " " NAG B1409 " - " ASN B 82 " " NAG B1410 " - " ASN B 100 " " NAG C1401 " - " ASN C1323 " " NAG C1402 " - " ASN C 40 " " NAG C1403 " - " ASN C 46 " " NAG C1404 " - " ASN C 172 " " NAG C1405 " - " ASN C 181 " " NAG C1406 " - " ASN C 224 " " NAG C1407 " - " ASN C 365 " " NAG C1408 " - " ASN C 757 " " NAG C1409 " - " ASN C 82 " " NAG C1410 " - " ASN C 100 " " NAG D 1 " - " ASN A 19 " " NAG E 1 " - " ASN A 71 " " NAG F 1 " - " ASN A 390 " " NAG G 1 " - " ASN A 455 " " NAG H 1 " - " ASN A 509 " " NAG I 1 " - " ASN A 521 " " NAG J 1 " - " ASN A 819 " " NAG K 1 " - " ASN A 911 " " NAG L 1 " - " ASN A 920 " " NAG M 1 " - " ASN A1209 " " NAG N 1 " - " ASN A1254 " " NAG O 1 " - " ASN A1260 " " NAG P 1 " - " ASN A 326 " " NAG Q 1 " - " ASN A1223 " " NAG R 1 " - " ASN A1242 " " NAG S 1 " - " ASN A 763 " " NAG T 1 " - " ASN B 19 " " NAG U 1 " - " ASN B 71 " " NAG V 1 " - " ASN B 390 " " NAG W 1 " - " ASN B 455 " " NAG X 1 " - " ASN B 509 " " NAG Y 1 " - " ASN B 521 " " NAG Z 1 " - " ASN B 819 " " NAG a 1 " - " ASN B 911 " " NAG b 1 " - " ASN B 920 " " NAG c 1 " - " ASN B1209 " " NAG d 1 " - " ASN B1254 " " NAG e 1 " - " ASN B1260 " " NAG f 1 " - " ASN B 326 " " NAG g 1 " - " ASN B1223 " " NAG h 1 " - " ASN B1242 " " NAG i 1 " - " ASN B 763 " " NAG j 1 " - " ASN C 19 " " NAG k 1 " - " ASN C 71 " " NAG l 1 " - " ASN C 390 " " NAG m 1 " - " ASN C 455 " " NAG n 1 " - " ASN C 509 " " NAG o 1 " - " ASN C 521 " " NAG p 1 " - " ASN C 819 " " NAG q 1 " - " ASN C 911 " " NAG r 1 " - " ASN C 920 " " NAG s 1 " - " ASN C1209 " " NAG t 1 " - " ASN C1254 " " NAG u 1 " - " ASN C1260 " " NAG v 1 " - " ASN C 326 " " NAG w 1 " - " ASN C1223 " " NAG x 1 " - " ASN C1242 " " NAG y 1 " - " ASN C 763 " Time building additional restraints: 3.23 Conformation dependent library (CDL) restraints added in 1.4 seconds 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 7038 Finding SS restraints... Secondary structure from input PDB file: 93 helices and 54 sheets defined 26.4% alpha, 34.9% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 1.58 Creating SS restraints... Processing helix chain 'A' and resid 12 through 16 Processing helix chain 'A' and resid 24 through 28 Processing helix chain 'A' and resid 29 through 31 No H-bonds generated for 'chain 'A' and resid 29 through 31' Processing helix chain 'A' and resid 350 through 354 Processing helix chain 'A' and resid 386 through 390 Processing helix chain 'A' and resid 478 through 488 Processing helix chain 'A' and resid 570 through 580 removed outlier: 3.528A pdb=" N GLN A 580 " --> pdb=" O GLY A 576 " (cutoff:3.500A) Processing helix chain 'A' and resid 858 through 865 Processing helix chain 'A' and resid 867 through 875 Processing helix chain 'A' and resid 876 through 878 No H-bonds generated for 'chain 'A' and resid 876 through 878' Processing helix chain 'A' and resid 879 through 905 Processing helix chain 'A' and resid 911 through 921 Processing helix chain 'A' and resid 922 through 927 removed outlier: 3.507A pdb=" N PHE A 926 " --> pdb=" O SER A 922 " (cutoff:3.500A) Processing helix chain 'A' and resid 930 through 934 Processing helix chain 'A' and resid 945 through 950 Processing helix chain 'A' and resid 951 through 960 Processing helix chain 'A' and resid 970 through 975 removed outlier: 4.528A pdb=" N LYS A 975 " --> pdb=" O ALA A 971 " (cutoff:3.500A) Processing helix chain 'A' and resid 984 through 992 Processing helix chain 'A' and resid 1002 through 1019 Processing helix chain 'A' and resid 1030 through 1042 removed outlier: 3.804A pdb=" N LEU A1041 " --> pdb=" O ARG A1037 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N ALA A1042 " --> pdb=" O VAL A1038 " (cutoff:3.500A) Processing helix chain 'A' and resid 1048 through 1072 Processing helix chain 'A' and resid 1074 through 1079 removed outlier: 4.205A pdb=" N SER A1078 " --> pdb=" O GLU A1075 " (cutoff:3.500A) Processing helix chain 'A' and resid 1080 through 1104 removed outlier: 3.631A pdb=" N ILE A1084 " --> pdb=" O VAL A1080 " (cutoff:3.500A) Processing helix chain 'A' and resid 1105 through 1107 No H-bonds generated for 'chain 'A' and resid 1105 through 1107' Processing helix chain 'A' and resid 1115 through 1123 Processing helix chain 'A' and resid 1124 through 1172 Processing helix chain 'A' and resid 1248 through 1253 Processing helix chain 'A' and resid 1279 through 1281 No H-bonds generated for 'chain 'A' and resid 1279 through 1281' Processing helix chain 'A' and resid 1297 through 1301 Processing helix chain 'A' and resid 1307 through 1325 removed outlier: 3.796A pdb=" N LEU A1318 " --> pdb=" O GLU A1314 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N TYR A1324 " --> pdb=" O GLU A1320 " (cutoff:3.500A) Processing helix chain 'A' and resid 1326 through 1331 Processing helix chain 'B' and resid 12 through 16 Processing helix chain 'B' and resid 24 through 28 Processing helix chain 'B' and resid 29 through 31 No H-bonds generated for 'chain 'B' and resid 29 through 31' Processing helix chain 'B' and resid 350 through 354 Processing helix chain 'B' and resid 386 through 390 Processing helix chain 'B' and resid 478 through 488 Processing helix chain 'B' and resid 570 through 580 removed outlier: 3.527A pdb=" N GLN B 580 " --> pdb=" O GLY B 576 " (cutoff:3.500A) Processing helix chain 'B' and resid 858 through 865 Processing helix chain 'B' and resid 867 through 875 Processing helix chain 'B' and resid 876 through 878 No H-bonds generated for 'chain 'B' and resid 876 through 878' Processing helix chain 'B' and resid 879 through 905 Processing helix chain 'B' and resid 911 through 921 Processing helix chain 'B' and resid 922 through 927 removed outlier: 3.507A pdb=" N PHE B 926 " --> pdb=" O SER B 922 " (cutoff:3.500A) Processing helix chain 'B' and resid 930 through 934 Processing helix chain 'B' and resid 945 through 950 Processing helix chain 'B' and resid 951 through 960 Processing helix chain 'B' and resid 970 through 975 removed outlier: 4.528A pdb=" N LYS B 975 " --> pdb=" O ALA B 971 " (cutoff:3.500A) Processing helix chain 'B' and resid 984 through 992 Processing helix chain 'B' and resid 1002 through 1019 Processing helix chain 'B' and resid 1030 through 1042 removed outlier: 3.804A pdb=" N LEU B1041 " --> pdb=" O ARG B1037 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N ALA B1042 " --> pdb=" O VAL B1038 " (cutoff:3.500A) Processing helix chain 'B' and resid 1048 through 1072 Processing helix chain 'B' and resid 1074 through 1079 removed outlier: 4.206A pdb=" N SER B1078 " --> pdb=" O GLU B1075 " (cutoff:3.500A) Processing helix chain 'B' and resid 1080 through 1104 removed outlier: 3.631A pdb=" N ILE B1084 " --> pdb=" O VAL B1080 " (cutoff:3.500A) Processing helix chain 'B' and resid 1105 through 1107 No H-bonds generated for 'chain 'B' and resid 1105 through 1107' Processing helix chain 'B' and resid 1115 through 1123 Processing helix chain 'B' and resid 1124 through 1172 Processing helix chain 'B' and resid 1248 through 1253 Processing helix chain 'B' and resid 1279 through 1281 No H-bonds generated for 'chain 'B' and resid 1279 through 1281' Processing helix chain 'B' and resid 1297 through 1301 Processing helix chain 'B' and resid 1307 through 1325 removed outlier: 3.796A pdb=" N LEU B1318 " --> pdb=" O GLU B1314 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N TYR B1324 " --> pdb=" O GLU B1320 " (cutoff:3.500A) Processing helix chain 'B' and resid 1326 through 1331 Processing helix chain 'C' and resid 12 through 16 Processing helix chain 'C' and resid 24 through 28 Processing helix chain 'C' and resid 29 through 31 No H-bonds generated for 'chain 'C' and resid 29 through 31' Processing helix chain 'C' and resid 350 through 354 Processing helix chain 'C' and resid 386 through 390 Processing helix chain 'C' and resid 478 through 488 Processing helix chain 'C' and resid 570 through 580 removed outlier: 3.528A pdb=" N GLN C 580 " --> pdb=" O GLY C 576 " (cutoff:3.500A) Processing helix chain 'C' and resid 858 through 865 Processing helix chain 'C' and resid 867 through 875 Processing helix chain 'C' and resid 876 through 878 No H-bonds generated for 'chain 'C' and resid 876 through 878' Processing helix chain 'C' and resid 879 through 905 Processing helix chain 'C' and resid 911 through 921 Processing helix chain 'C' and resid 922 through 927 removed outlier: 3.508A pdb=" N PHE C 926 " --> pdb=" O SER C 922 " (cutoff:3.500A) Processing helix chain 'C' and resid 930 through 934 Processing helix chain 'C' and resid 945 through 950 Processing helix chain 'C' and resid 951 through 960 Processing helix chain 'C' and resid 970 through 975 removed outlier: 4.527A pdb=" N LYS C 975 " --> pdb=" O ALA C 971 " (cutoff:3.500A) Processing helix chain 'C' and resid 984 through 992 Processing helix chain 'C' and resid 1002 through 1019 Processing helix chain 'C' and resid 1030 through 1042 removed outlier: 3.804A pdb=" N LEU C1041 " --> pdb=" O ARG C1037 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N ALA C1042 " --> pdb=" O VAL C1038 " (cutoff:3.500A) Processing helix chain 'C' and resid 1048 through 1072 Processing helix chain 'C' and resid 1074 through 1079 removed outlier: 4.206A pdb=" N SER C1078 " --> pdb=" O GLU C1075 " (cutoff:3.500A) Processing helix chain 'C' and resid 1080 through 1104 removed outlier: 3.632A pdb=" N ILE C1084 " --> pdb=" O VAL C1080 " (cutoff:3.500A) Processing helix chain 'C' and resid 1105 through 1107 No H-bonds generated for 'chain 'C' and resid 1105 through 1107' Processing helix chain 'C' and resid 1115 through 1123 Processing helix chain 'C' and resid 1124 through 1172 Processing helix chain 'C' and resid 1248 through 1253 Processing helix chain 'C' and resid 1279 through 1281 No H-bonds generated for 'chain 'C' and resid 1279 through 1281' Processing helix chain 'C' and resid 1297 through 1301 Processing helix chain 'C' and resid 1307 through 1325 removed outlier: 3.796A pdb=" N LEU C1318 " --> pdb=" O GLU C1314 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N TYR C1324 " --> pdb=" O GLU C1320 " (cutoff:3.500A) Processing helix chain 'C' and resid 1326 through 1331 Processing sheet with id=AA1, first strand: chain 'A' and resid 21 through 23 removed outlier: 3.579A pdb=" N GLY A 177 " --> pdb=" O ILE A 132 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'A' and resid 33 through 35 removed outlier: 4.187A pdb=" N LEU A 33 " --> pdb=" O THR A 45 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N SER A 68 " --> pdb=" O ILE A 44 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'A' and resid 76 through 77 removed outlier: 3.899A pdb=" N ASP A 77 " --> pdb=" O ASN A 103 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ASN A 103 " --> pdb=" O ASP A 77 " (cutoff:3.500A) No H-bonds generated for sheet with id=AA3 Processing sheet with id=AA4, first strand: chain 'A' and resid 145 through 148 Processing sheet with id=AA5, first strand: chain 'A' and resid 209 through 214 removed outlier: 6.236A pdb=" N ASP A 209 " --> pdb=" O VAL A 281 " (cutoff:3.500A) removed outlier: 7.114A pdb=" N SER A 283 " --> pdb=" O ASP A 209 " (cutoff:3.500A) removed outlier: 5.723A pdb=" N ARG A 211 " --> pdb=" O SER A 283 " (cutoff:3.500A) removed outlier: 7.723A pdb=" N GLN A 285 " --> pdb=" O ARG A 211 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N CYS A 213 " --> pdb=" O GLN A 285 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N GLY A 339 " --> pdb=" O PHE A 311 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU A 313 " --> pdb=" O ILE A 337 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N ILE A 337 " --> pdb=" O LEU A 313 " (cutoff:3.500A) removed outlier: 7.342A pdb=" N PHE A 346 " --> pdb=" O VAL A 403 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'A' and resid 225 through 227 removed outlier: 3.924A pdb=" N GLY A 252 " --> pdb=" O THR A 457 " (cutoff:3.500A) removed outlier: 5.351A pdb=" N THR A 457 " --> pdb=" O GLY A 252 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N TYR A 254 " --> pdb=" O ASN A 455 " (cutoff:3.500A) removed outlier: 5.943A pdb=" N ASN A 455 " --> pdb=" O TYR A 254 " (cutoff:3.500A) removed outlier: 7.022A pdb=" N THR A 453 " --> pdb=" O PRO A 256 " (cutoff:3.500A) removed outlier: 6.546A pdb=" N PHE A 258 " --> pdb=" O ILE A 451 " (cutoff:3.500A) removed outlier: 6.491A pdb=" N ILE A 451 " --> pdb=" O PHE A 258 " (cutoff:3.500A) removed outlier: 12.302A pdb=" N VAL A 296 " --> pdb=" O ASP A 417 " (cutoff:3.500A) removed outlier: 11.009A pdb=" N ASP A 417 " --> pdb=" O VAL A 296 " (cutoff:3.500A) removed outlier: 12.326A pdb=" N ARG A 298 " --> pdb=" O ILE A 415 " (cutoff:3.500A) removed outlier: 10.851A pdb=" N ILE A 415 " --> pdb=" O ARG A 298 " (cutoff:3.500A) removed outlier: 10.730A pdb=" N GLU A 300 " --> pdb=" O ALA A 413 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA A 413 " --> pdb=" O GLU A 300 " (cutoff:3.500A) removed outlier: 6.703A pdb=" N LEU A 423 " --> pdb=" O VAL A 430 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'A' and resid 225 through 227 removed outlier: 3.924A pdb=" N GLY A 252 " --> pdb=" O THR A 457 " (cutoff:3.500A) removed outlier: 5.351A pdb=" N THR A 457 " --> pdb=" O GLY A 252 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N TYR A 254 " --> pdb=" O ASN A 455 " (cutoff:3.500A) removed outlier: 5.943A pdb=" N ASN A 455 " --> pdb=" O TYR A 254 " (cutoff:3.500A) removed outlier: 7.022A pdb=" N THR A 453 " --> pdb=" O PRO A 256 " (cutoff:3.500A) removed outlier: 6.546A pdb=" N PHE A 258 " --> pdb=" O ILE A 451 " (cutoff:3.500A) removed outlier: 6.491A pdb=" N ILE A 451 " --> pdb=" O PHE A 258 " (cutoff:3.500A) removed outlier: 7.403A pdb=" N THR A 458 " --> pdb=" O ASP A 473 " (cutoff:3.500A) removed outlier: 4.910A pdb=" N ASP A 473 " --> pdb=" O THR A 458 " (cutoff:3.500A) removed outlier: 6.278A pdb=" N LEU A 460 " --> pdb=" O VAL A 471 " (cutoff:3.500A) removed outlier: 4.163A pdb=" N VAL A 471 " --> pdb=" O LEU A 460 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N THR A 462 " --> pdb=" O ARG A 469 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'A' and resid 241 through 243 removed outlier: 6.653A pdb=" N ARG A 242 " --> pdb=" O LEU C 707 " (cutoff:3.500A) removed outlier: 4.780A pdb=" N SER C 714 " --> pdb=" O VAL C 725 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU C 722 " --> pdb=" O PHE C 693 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'A' and resid 326 through 327 Processing sheet with id=AB1, first strand: chain 'A' and resid 355 through 357 Processing sheet with id=AB2, first strand: chain 'A' and resid 495 through 502 removed outlier: 8.986A pdb=" N VAL A 732 " --> pdb=" O PRO A 748 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N GLY A 744 " --> pdb=" O ALA A 736 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'A' and resid 510 through 513 removed outlier: 4.179A pdb=" N LEU A 722 " --> pdb=" O PHE A 693 " (cutoff:3.500A) removed outlier: 4.780A pdb=" N SER A 714 " --> pdb=" O VAL A 725 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'A' and resid 519 through 528 removed outlier: 6.234A pdb=" N ALA A 520 " --> pdb=" O PHE A 550 " (cutoff:3.500A) removed outlier: 5.531A pdb=" N ILE A 552 " --> pdb=" O ALA A 520 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N LEU A 522 " --> pdb=" O ILE A 552 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ASP A 554 " --> pdb=" O LEU A 522 " (cutoff:3.500A) removed outlier: 6.814A pdb=" N GLY A 652 " --> pdb=" O GLN A 618 " (cutoff:3.500A) removed outlier: 10.336A pdb=" N GLN A 618 " --> pdb=" O GLY A 652 " (cutoff:3.500A) removed outlier: 11.886A pdb=" N ILE A 654 " --> pdb=" O TYR A 616 " (cutoff:3.500A) removed outlier: 11.985A pdb=" N TYR A 616 " --> pdb=" O ILE A 654 " (cutoff:3.500A) removed outlier: 10.678A pdb=" N TYR A 656 " --> pdb=" O GLY A 614 " (cutoff:3.500A) removed outlier: 11.482A pdb=" N GLY A 614 " --> pdb=" O TYR A 656 " (cutoff:3.500A) removed outlier: 11.162A pdb=" N PHE A 658 " --> pdb=" O CYS A 612 " (cutoff:3.500A) removed outlier: 11.369A pdb=" N CYS A 612 " --> pdb=" O PHE A 658 " (cutoff:3.500A) removed outlier: 8.951A pdb=" N THR A 660 " --> pdb=" O LYS A 610 " (cutoff:3.500A) removed outlier: 8.823A pdb=" N LYS A 610 " --> pdb=" O THR A 660 " (cutoff:3.500A) removed outlier: 7.036A pdb=" N ILE A 611 " --> pdb=" O CYS A 544 " (cutoff:3.500A) removed outlier: 4.651A pdb=" N CYS A 544 " --> pdb=" O ILE A 611 " (cutoff:3.500A) removed outlier: 6.481A pdb=" N PHE A 613 " --> pdb=" O TYR A 542 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N TYR A 542 " --> pdb=" O PHE A 613 " (cutoff:3.500A) removed outlier: 6.833A pdb=" N VAL A 615 " --> pdb=" O LYS A 540 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'A' and resid 519 through 528 removed outlier: 6.234A pdb=" N ALA A 520 " --> pdb=" O PHE A 550 " (cutoff:3.500A) removed outlier: 5.531A pdb=" N ILE A 552 " --> pdb=" O ALA A 520 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N LEU A 522 " --> pdb=" O ILE A 552 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ASP A 554 " --> pdb=" O LEU A 522 " (cutoff:3.500A) removed outlier: 6.625A pdb=" N PHE A 628 " --> pdb=" O LEU A 651 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N PHE A 653 " --> pdb=" O CYS A 626 " (cutoff:3.500A) removed outlier: 7.460A pdb=" N CYS A 626 " --> pdb=" O PHE A 653 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'A' and resid 791 through 796 removed outlier: 5.428A pdb=" N ILE A 803 " --> pdb=" O ASN A 792 " (cutoff:3.500A) removed outlier: 9.504A pdb=" N SER A 794 " --> pdb=" O HIS A 801 " (cutoff:3.500A) removed outlier: 11.586A pdb=" N HIS A 801 " --> pdb=" O SER A 794 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'A' and resid 831 through 849 removed outlier: 6.529A pdb=" N ASP A 832 " --> pdb=" O LYS A1215 " (cutoff:3.500A) removed outlier: 6.786A pdb=" N LYS A1215 " --> pdb=" O ASP A 832 " (cutoff:3.500A) removed outlier: 6.973A pdb=" N GLN A 834 " --> pdb=" O THR A1213 " (cutoff:3.500A) removed outlier: 6.902A pdb=" N THR A1213 " --> pdb=" O GLN A 834 " (cutoff:3.500A) removed outlier: 6.189A pdb=" N THR A1211 " --> pdb=" O PRO A 836 " (cutoff:3.500A) removed outlier: 6.396A pdb=" N THR A 838 " --> pdb=" O ASN A1209 " (cutoff:3.500A) removed outlier: 6.102A pdb=" N LEU A1206 " --> pdb=" O HIS A1187 " (cutoff:3.500A) removed outlier: 5.710A pdb=" N HIS A1187 " --> pdb=" O LEU A1206 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'A' and resid 831 through 849 removed outlier: 6.529A pdb=" N ASP A 832 " --> pdb=" O LYS A1215 " (cutoff:3.500A) removed outlier: 6.786A pdb=" N LYS A1215 " --> pdb=" O ASP A 832 " (cutoff:3.500A) removed outlier: 6.973A pdb=" N GLN A 834 " --> pdb=" O THR A1213 " (cutoff:3.500A) removed outlier: 6.902A pdb=" N THR A1213 " --> pdb=" O GLN A 834 " (cutoff:3.500A) removed outlier: 6.189A pdb=" N THR A1211 " --> pdb=" O PRO A 836 " (cutoff:3.500A) removed outlier: 6.396A pdb=" N THR A 838 " --> pdb=" O ASN A1209 " (cutoff:3.500A) removed outlier: 4.926A pdb=" N LYS A1215 " --> pdb=" O GLN A1239 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N PHE A1237 " --> pdb=" O ILE A1217 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'A' and resid 854 through 857 removed outlier: 4.270A pdb=" N LYS A 854 " --> pdb=" O LEU A 997 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'A' and resid 1283 through 1286 removed outlier: 5.760A pdb=" N CYS A1221 " --> pdb=" O ILE A1296 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'B' and resid 21 through 23 removed outlier: 3.579A pdb=" N GLY B 177 " --> pdb=" O ILE B 132 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'B' and resid 33 through 35 removed outlier: 4.186A pdb=" N LEU B 33 " --> pdb=" O THR B 45 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N SER B 68 " --> pdb=" O ILE B 44 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'B' and resid 76 through 77 removed outlier: 3.899A pdb=" N ASP B 77 " --> pdb=" O ASN B 103 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ASN B 103 " --> pdb=" O ASP B 77 " (cutoff:3.500A) No H-bonds generated for sheet with id=AC4 Processing sheet with id=AC5, first strand: chain 'B' and resid 145 through 148 Processing sheet with id=AC6, first strand: chain 'B' and resid 209 through 214 removed outlier: 6.235A pdb=" N ASP B 209 " --> pdb=" O VAL B 281 " (cutoff:3.500A) removed outlier: 7.114A pdb=" N SER B 283 " --> pdb=" O ASP B 209 " (cutoff:3.500A) removed outlier: 5.723A pdb=" N ARG B 211 " --> pdb=" O SER B 283 " (cutoff:3.500A) removed outlier: 7.723A pdb=" N GLN B 285 " --> pdb=" O ARG B 211 " (cutoff:3.500A) removed outlier: 7.085A pdb=" N CYS B 213 " --> pdb=" O GLN B 285 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N GLY B 339 " --> pdb=" O PHE B 311 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU B 313 " --> pdb=" O ILE B 337 " (cutoff:3.500A) removed outlier: 6.978A pdb=" N ILE B 337 " --> pdb=" O LEU B 313 " (cutoff:3.500A) removed outlier: 7.342A pdb=" N PHE B 346 " --> pdb=" O VAL B 403 " (cutoff:3.500A) Processing sheet with id=AC7, first strand: chain 'B' and resid 225 through 227 removed outlier: 3.924A pdb=" N GLY B 252 " --> pdb=" O THR B 457 " (cutoff:3.500A) removed outlier: 5.351A pdb=" N THR B 457 " --> pdb=" O GLY B 252 " (cutoff:3.500A) removed outlier: 4.343A pdb=" N TYR B 254 " --> pdb=" O ASN B 455 " (cutoff:3.500A) removed outlier: 5.944A pdb=" N ASN B 455 " --> pdb=" O TYR B 254 " (cutoff:3.500A) removed outlier: 7.021A pdb=" N THR B 453 " --> pdb=" O PRO B 256 " (cutoff:3.500A) removed outlier: 6.546A pdb=" N PHE B 258 " --> pdb=" O ILE B 451 " (cutoff:3.500A) removed outlier: 6.492A pdb=" N ILE B 451 " --> pdb=" O PHE B 258 " (cutoff:3.500A) removed outlier: 12.302A pdb=" N VAL B 296 " --> pdb=" O ASP B 417 " (cutoff:3.500A) removed outlier: 11.009A pdb=" N ASP B 417 " --> pdb=" O VAL B 296 " (cutoff:3.500A) removed outlier: 12.327A pdb=" N ARG B 298 " --> pdb=" O ILE B 415 " (cutoff:3.500A) removed outlier: 10.851A pdb=" N ILE B 415 " --> pdb=" O ARG B 298 " (cutoff:3.500A) removed outlier: 10.731A pdb=" N GLU B 300 " --> pdb=" O ALA B 413 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA B 413 " --> pdb=" O GLU B 300 " (cutoff:3.500A) removed outlier: 6.703A pdb=" N LEU B 423 " --> pdb=" O VAL B 430 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'B' and resid 225 through 227 removed outlier: 3.924A pdb=" N GLY B 252 " --> pdb=" O THR B 457 " (cutoff:3.500A) removed outlier: 5.351A pdb=" N THR B 457 " --> pdb=" O GLY B 252 " (cutoff:3.500A) removed outlier: 4.343A pdb=" N TYR B 254 " --> pdb=" O ASN B 455 " (cutoff:3.500A) removed outlier: 5.944A pdb=" N ASN B 455 " --> pdb=" O TYR B 254 " (cutoff:3.500A) removed outlier: 7.021A pdb=" N THR B 453 " --> pdb=" O PRO B 256 " (cutoff:3.500A) removed outlier: 6.546A pdb=" N PHE B 258 " --> pdb=" O ILE B 451 " (cutoff:3.500A) removed outlier: 6.492A pdb=" N ILE B 451 " --> pdb=" O PHE B 258 " (cutoff:3.500A) removed outlier: 7.402A pdb=" N THR B 458 " --> pdb=" O ASP B 473 " (cutoff:3.500A) removed outlier: 4.910A pdb=" N ASP B 473 " --> pdb=" O THR B 458 " (cutoff:3.500A) removed outlier: 6.279A pdb=" N LEU B 460 " --> pdb=" O VAL B 471 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N VAL B 471 " --> pdb=" O LEU B 460 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N THR B 462 " --> pdb=" O ARG B 469 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'B' and resid 326 through 327 Processing sheet with id=AD1, first strand: chain 'B' and resid 355 through 357 Processing sheet with id=AD2, first strand: chain 'B' and resid 495 through 502 removed outlier: 8.985A pdb=" N VAL B 732 " --> pdb=" O PRO B 748 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N GLY B 744 " --> pdb=" O ALA B 736 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'B' and resid 510 through 513 removed outlier: 4.179A pdb=" N LEU B 722 " --> pdb=" O PHE B 693 " (cutoff:3.500A) removed outlier: 4.780A pdb=" N SER B 714 " --> pdb=" O VAL B 725 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'B' and resid 519 through 528 removed outlier: 6.234A pdb=" N ALA B 520 " --> pdb=" O PHE B 550 " (cutoff:3.500A) removed outlier: 5.531A pdb=" N ILE B 552 " --> pdb=" O ALA B 520 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU B 522 " --> pdb=" O ILE B 552 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ASP B 554 " --> pdb=" O LEU B 522 " (cutoff:3.500A) removed outlier: 6.813A pdb=" N GLY B 652 " --> pdb=" O GLN B 618 " (cutoff:3.500A) removed outlier: 10.337A pdb=" N GLN B 618 " --> pdb=" O GLY B 652 " (cutoff:3.500A) removed outlier: 11.884A pdb=" N ILE B 654 " --> pdb=" O TYR B 616 " (cutoff:3.500A) removed outlier: 11.984A pdb=" N TYR B 616 " --> pdb=" O ILE B 654 " (cutoff:3.500A) removed outlier: 10.678A pdb=" N TYR B 656 " --> pdb=" O GLY B 614 " (cutoff:3.500A) removed outlier: 11.482A pdb=" N GLY B 614 " --> pdb=" O TYR B 656 " (cutoff:3.500A) removed outlier: 11.163A pdb=" N PHE B 658 " --> pdb=" O CYS B 612 " (cutoff:3.500A) removed outlier: 11.368A pdb=" N CYS B 612 " --> pdb=" O PHE B 658 " (cutoff:3.500A) removed outlier: 8.951A pdb=" N THR B 660 " --> pdb=" O LYS B 610 " (cutoff:3.500A) removed outlier: 8.824A pdb=" N LYS B 610 " --> pdb=" O THR B 660 " (cutoff:3.500A) removed outlier: 7.035A pdb=" N ILE B 611 " --> pdb=" O CYS B 544 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N CYS B 544 " --> pdb=" O ILE B 611 " (cutoff:3.500A) removed outlier: 6.481A pdb=" N PHE B 613 " --> pdb=" O TYR B 542 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N TYR B 542 " --> pdb=" O PHE B 613 " (cutoff:3.500A) removed outlier: 6.832A pdb=" N VAL B 615 " --> pdb=" O LYS B 540 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'B' and resid 519 through 528 removed outlier: 6.234A pdb=" N ALA B 520 " --> pdb=" O PHE B 550 " (cutoff:3.500A) removed outlier: 5.531A pdb=" N ILE B 552 " --> pdb=" O ALA B 520 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU B 522 " --> pdb=" O ILE B 552 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ASP B 554 " --> pdb=" O LEU B 522 " (cutoff:3.500A) removed outlier: 6.625A pdb=" N PHE B 628 " --> pdb=" O LEU B 651 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N PHE B 653 " --> pdb=" O CYS B 626 " (cutoff:3.500A) removed outlier: 7.461A pdb=" N CYS B 626 " --> pdb=" O PHE B 653 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'B' and resid 791 through 796 removed outlier: 5.427A pdb=" N ILE B 803 " --> pdb=" O ASN B 792 " (cutoff:3.500A) removed outlier: 9.504A pdb=" N SER B 794 " --> pdb=" O HIS B 801 " (cutoff:3.500A) removed outlier: 11.587A pdb=" N HIS B 801 " --> pdb=" O SER B 794 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'B' and resid 831 through 849 removed outlier: 6.530A pdb=" N ASP B 832 " --> pdb=" O LYS B1215 " (cutoff:3.500A) removed outlier: 6.786A pdb=" N LYS B1215 " --> pdb=" O ASP B 832 " (cutoff:3.500A) removed outlier: 6.973A pdb=" N GLN B 834 " --> pdb=" O THR B1213 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR B1213 " --> pdb=" O GLN B 834 " (cutoff:3.500A) removed outlier: 6.189A pdb=" N THR B1211 " --> pdb=" O PRO B 836 " (cutoff:3.500A) removed outlier: 6.395A pdb=" N THR B 838 " --> pdb=" O ASN B1209 " (cutoff:3.500A) removed outlier: 6.100A pdb=" N LEU B1206 " --> pdb=" O HIS B1187 " (cutoff:3.500A) removed outlier: 5.711A pdb=" N HIS B1187 " --> pdb=" O LEU B1206 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'B' and resid 831 through 849 removed outlier: 6.530A pdb=" N ASP B 832 " --> pdb=" O LYS B1215 " (cutoff:3.500A) removed outlier: 6.786A pdb=" N LYS B1215 " --> pdb=" O ASP B 832 " (cutoff:3.500A) removed outlier: 6.973A pdb=" N GLN B 834 " --> pdb=" O THR B1213 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR B1213 " --> pdb=" O GLN B 834 " (cutoff:3.500A) removed outlier: 6.189A pdb=" N THR B1211 " --> pdb=" O PRO B 836 " (cutoff:3.500A) removed outlier: 6.395A pdb=" N THR B 838 " --> pdb=" O ASN B1209 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LYS B1215 " --> pdb=" O GLN B1239 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N PHE B1237 " --> pdb=" O ILE B1217 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'B' and resid 854 through 857 removed outlier: 4.270A pdb=" N LYS B 854 " --> pdb=" O LEU B 997 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'B' and resid 1283 through 1286 removed outlier: 5.761A pdb=" N CYS B1221 " --> pdb=" O ILE B1296 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'C' and resid 21 through 23 removed outlier: 3.580A pdb=" N GLY C 177 " --> pdb=" O ILE C 132 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'C' and resid 33 through 35 removed outlier: 4.186A pdb=" N LEU C 33 " --> pdb=" O THR C 45 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N SER C 68 " --> pdb=" O ILE C 44 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'C' and resid 76 through 77 removed outlier: 3.899A pdb=" N ASP C 77 " --> pdb=" O ASN C 103 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N ASN C 103 " --> pdb=" O ASP C 77 " (cutoff:3.500A) No H-bonds generated for sheet with id=AE4 Processing sheet with id=AE5, first strand: chain 'C' and resid 145 through 148 Processing sheet with id=AE6, first strand: chain 'C' and resid 209 through 214 removed outlier: 6.236A pdb=" N ASP C 209 " --> pdb=" O VAL C 281 " (cutoff:3.500A) removed outlier: 7.114A pdb=" N SER C 283 " --> pdb=" O ASP C 209 " (cutoff:3.500A) removed outlier: 5.723A pdb=" N ARG C 211 " --> pdb=" O SER C 283 " (cutoff:3.500A) removed outlier: 7.723A pdb=" N GLN C 285 " --> pdb=" O ARG C 211 " (cutoff:3.500A) removed outlier: 7.084A pdb=" N CYS C 213 " --> pdb=" O GLN C 285 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N GLY C 339 " --> pdb=" O PHE C 311 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU C 313 " --> pdb=" O ILE C 337 " (cutoff:3.500A) removed outlier: 6.978A pdb=" N ILE C 337 " --> pdb=" O LEU C 313 " (cutoff:3.500A) removed outlier: 7.342A pdb=" N PHE C 346 " --> pdb=" O VAL C 403 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'C' and resid 225 through 227 removed outlier: 3.924A pdb=" N GLY C 252 " --> pdb=" O THR C 457 " (cutoff:3.500A) removed outlier: 5.350A pdb=" N THR C 457 " --> pdb=" O GLY C 252 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N TYR C 254 " --> pdb=" O ASN C 455 " (cutoff:3.500A) removed outlier: 5.944A pdb=" N ASN C 455 " --> pdb=" O TYR C 254 " (cutoff:3.500A) removed outlier: 7.022A pdb=" N THR C 453 " --> pdb=" O PRO C 256 " (cutoff:3.500A) removed outlier: 6.547A pdb=" N PHE C 258 " --> pdb=" O ILE C 451 " (cutoff:3.500A) removed outlier: 6.492A pdb=" N ILE C 451 " --> pdb=" O PHE C 258 " (cutoff:3.500A) removed outlier: 12.301A pdb=" N VAL C 296 " --> pdb=" O ASP C 417 " (cutoff:3.500A) removed outlier: 11.008A pdb=" N ASP C 417 " --> pdb=" O VAL C 296 " (cutoff:3.500A) removed outlier: 12.327A pdb=" N ARG C 298 " --> pdb=" O ILE C 415 " (cutoff:3.500A) removed outlier: 10.851A pdb=" N ILE C 415 " --> pdb=" O ARG C 298 " (cutoff:3.500A) removed outlier: 10.731A pdb=" N GLU C 300 " --> pdb=" O ALA C 413 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA C 413 " --> pdb=" O GLU C 300 " (cutoff:3.500A) removed outlier: 6.703A pdb=" N LEU C 423 " --> pdb=" O VAL C 430 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'C' and resid 225 through 227 removed outlier: 3.924A pdb=" N GLY C 252 " --> pdb=" O THR C 457 " (cutoff:3.500A) removed outlier: 5.350A pdb=" N THR C 457 " --> pdb=" O GLY C 252 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N TYR C 254 " --> pdb=" O ASN C 455 " (cutoff:3.500A) removed outlier: 5.944A pdb=" N ASN C 455 " --> pdb=" O TYR C 254 " (cutoff:3.500A) removed outlier: 7.022A pdb=" N THR C 453 " --> pdb=" O PRO C 256 " (cutoff:3.500A) removed outlier: 6.547A pdb=" N PHE C 258 " --> pdb=" O ILE C 451 " (cutoff:3.500A) removed outlier: 6.492A pdb=" N ILE C 451 " --> pdb=" O PHE C 258 " (cutoff:3.500A) removed outlier: 7.402A pdb=" N THR C 458 " --> pdb=" O ASP C 473 " (cutoff:3.500A) removed outlier: 4.911A pdb=" N ASP C 473 " --> pdb=" O THR C 458 " (cutoff:3.500A) removed outlier: 6.278A pdb=" N LEU C 460 " --> pdb=" O VAL C 471 " (cutoff:3.500A) removed outlier: 4.163A pdb=" N VAL C 471 " --> pdb=" O LEU C 460 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N THR C 462 " --> pdb=" O ARG C 469 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'C' and resid 326 through 327 Processing sheet with id=AF1, first strand: chain 'C' and resid 355 through 357 Processing sheet with id=AF2, first strand: chain 'C' and resid 495 through 502 removed outlier: 8.986A pdb=" N VAL C 732 " --> pdb=" O PRO C 748 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N GLY C 744 " --> pdb=" O ALA C 736 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'C' and resid 519 through 528 removed outlier: 6.234A pdb=" N ALA C 520 " --> pdb=" O PHE C 550 " (cutoff:3.500A) removed outlier: 5.531A pdb=" N ILE C 552 " --> pdb=" O ALA C 520 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N LEU C 522 " --> pdb=" O ILE C 552 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ASP C 554 " --> pdb=" O LEU C 522 " (cutoff:3.500A) removed outlier: 6.813A pdb=" N GLY C 652 " --> pdb=" O GLN C 618 " (cutoff:3.500A) removed outlier: 10.336A pdb=" N GLN C 618 " --> pdb=" O GLY C 652 " (cutoff:3.500A) removed outlier: 11.884A pdb=" N ILE C 654 " --> pdb=" O TYR C 616 " (cutoff:3.500A) removed outlier: 11.984A pdb=" N TYR C 616 " --> pdb=" O ILE C 654 " (cutoff:3.500A) removed outlier: 10.678A pdb=" N TYR C 656 " --> pdb=" O GLY C 614 " (cutoff:3.500A) removed outlier: 11.483A pdb=" N GLY C 614 " --> pdb=" O TYR C 656 " (cutoff:3.500A) removed outlier: 11.162A pdb=" N PHE C 658 " --> pdb=" O CYS C 612 " (cutoff:3.500A) removed outlier: 11.369A pdb=" N CYS C 612 " --> pdb=" O PHE C 658 " (cutoff:3.500A) removed outlier: 8.952A pdb=" N THR C 660 " --> pdb=" O LYS C 610 " (cutoff:3.500A) removed outlier: 8.824A pdb=" N LYS C 610 " --> pdb=" O THR C 660 " (cutoff:3.500A) removed outlier: 7.035A pdb=" N ILE C 611 " --> pdb=" O CYS C 544 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N CYS C 544 " --> pdb=" O ILE C 611 " (cutoff:3.500A) removed outlier: 6.482A pdb=" N PHE C 613 " --> pdb=" O TYR C 542 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N TYR C 542 " --> pdb=" O PHE C 613 " (cutoff:3.500A) removed outlier: 6.833A pdb=" N VAL C 615 " --> pdb=" O LYS C 540 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'C' and resid 519 through 528 removed outlier: 6.234A pdb=" N ALA C 520 " --> pdb=" O PHE C 550 " (cutoff:3.500A) removed outlier: 5.531A pdb=" N ILE C 552 " --> pdb=" O ALA C 520 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N LEU C 522 " --> pdb=" O ILE C 552 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ASP C 554 " --> pdb=" O LEU C 522 " (cutoff:3.500A) removed outlier: 6.625A pdb=" N PHE C 628 " --> pdb=" O LEU C 651 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N PHE C 653 " --> pdb=" O CYS C 626 " (cutoff:3.500A) removed outlier: 7.460A pdb=" N CYS C 626 " --> pdb=" O PHE C 653 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'C' and resid 791 through 796 removed outlier: 5.427A pdb=" N ILE C 803 " --> pdb=" O ASN C 792 " (cutoff:3.500A) removed outlier: 9.504A pdb=" N SER C 794 " --> pdb=" O HIS C 801 " (cutoff:3.500A) removed outlier: 11.587A pdb=" N HIS C 801 " --> pdb=" O SER C 794 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'C' and resid 831 through 849 removed outlier: 6.529A pdb=" N ASP C 832 " --> pdb=" O LYS C1215 " (cutoff:3.500A) removed outlier: 6.786A pdb=" N LYS C1215 " --> pdb=" O ASP C 832 " (cutoff:3.500A) removed outlier: 6.973A pdb=" N GLN C 834 " --> pdb=" O THR C1213 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR C1213 " --> pdb=" O GLN C 834 " (cutoff:3.500A) removed outlier: 6.188A pdb=" N THR C1211 " --> pdb=" O PRO C 836 " (cutoff:3.500A) removed outlier: 6.396A pdb=" N THR C 838 " --> pdb=" O ASN C1209 " (cutoff:3.500A) removed outlier: 6.101A pdb=" N LEU C1206 " --> pdb=" O HIS C1187 " (cutoff:3.500A) removed outlier: 5.710A pdb=" N HIS C1187 " --> pdb=" O LEU C1206 " (cutoff:3.500A) Processing sheet with id=AF7, first strand: chain 'C' and resid 831 through 849 removed outlier: 6.529A pdb=" N ASP C 832 " --> pdb=" O LYS C1215 " (cutoff:3.500A) removed outlier: 6.786A pdb=" N LYS C1215 " --> pdb=" O ASP C 832 " (cutoff:3.500A) removed outlier: 6.973A pdb=" N GLN C 834 " --> pdb=" O THR C1213 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR C1213 " --> pdb=" O GLN C 834 " (cutoff:3.500A) removed outlier: 6.188A pdb=" N THR C1211 " --> pdb=" O PRO C 836 " (cutoff:3.500A) removed outlier: 6.396A pdb=" N THR C 838 " --> pdb=" O ASN C1209 " (cutoff:3.500A) removed outlier: 4.926A pdb=" N LYS C1215 " --> pdb=" O GLN C1239 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N PHE C1237 " --> pdb=" O ILE C1217 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain 'C' and resid 854 through 857 removed outlier: 4.270A pdb=" N LYS C 854 " --> pdb=" O LEU C 997 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'C' and resid 1283 through 1286 removed outlier: 5.761A pdb=" N CYS C1221 " --> pdb=" O ILE C1296 " (cutoff:3.500A) 1234 hydrogen bonds defined for protein. 3333 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: 10.74 Time building geometry restraints manager: 4.31 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 0.84 - 1.03: 6342 1.03 - 1.23: 491 1.23 - 1.43: 13873 1.43 - 1.62: 18264 1.62 - 1.82: 264 Bond restraints: 39234 Sorted by residual: bond pdb=" N GLU A 3 " pdb=" CA GLU A 3 " ideal model delta sigma weight residual 1.458 1.491 -0.033 1.90e-02 2.77e+03 3.01e+00 bond pdb=" N GLU B 3 " pdb=" CA GLU B 3 " ideal model delta sigma weight residual 1.458 1.491 -0.033 1.90e-02 2.77e+03 2.99e+00 bond pdb=" N GLU C 3 " pdb=" CA GLU C 3 " ideal model delta sigma weight residual 1.458 1.490 -0.032 1.90e-02 2.77e+03 2.89e+00 bond pdb=" N GLU A 3 " pdb=" H GLU A 3 " ideal model delta sigma weight residual 0.860 0.890 -0.030 2.00e-02 2.50e+03 2.23e+00 bond pdb=" N GLU C 3 " pdb=" H GLU C 3 " ideal model delta sigma weight residual 0.860 0.890 -0.030 2.00e-02 2.50e+03 2.20e+00 ... (remaining 39229 not shown) Histogram of bond angle deviations from ideal: 0.00 - 1.44: 55090 1.44 - 2.88: 709 2.88 - 4.31: 85 4.31 - 5.75: 20 5.75 - 7.19: 10 Bond angle restraints: 55914 Sorted by residual: angle pdb=" C GLN C 117 " pdb=" N ASN C 118 " pdb=" CA ASN C 118 " ideal model delta sigma weight residual 121.54 128.73 -7.19 1.91e+00 2.74e-01 1.42e+01 angle pdb=" C GLN B 117 " pdb=" N ASN B 118 " pdb=" CA ASN B 118 " ideal model delta sigma weight residual 121.54 128.67 -7.13 1.91e+00 2.74e-01 1.39e+01 angle pdb=" C GLN A 117 " pdb=" N ASN A 118 " pdb=" CA ASN A 118 " ideal model delta sigma weight residual 121.54 128.67 -7.13 1.91e+00 2.74e-01 1.39e+01 angle pdb=" N SER C 759 " pdb=" CA SER C 759 " pdb=" C SER C 759 " ideal model delta sigma weight residual 113.43 109.85 3.58 1.26e+00 6.30e-01 8.07e+00 angle pdb=" N SER B 759 " pdb=" CA SER B 759 " pdb=" C SER B 759 " ideal model delta sigma weight residual 113.43 109.87 3.56 1.26e+00 6.30e-01 7.99e+00 ... (remaining 55909 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 17.75: 25472 17.75 - 35.50: 1426 35.50 - 53.26: 357 53.26 - 71.01: 108 71.01 - 88.76: 45 Dihedral angle restraints: 27408 sinusoidal: 16377 harmonic: 11031 Sorted by residual: dihedral pdb=" CB CYS A 762 " pdb=" SG CYS A 762 " pdb=" SG CYS A 771 " pdb=" CB CYS A 771 " ideal model delta sinusoidal sigma weight residual -86.00 -53.07 -32.93 1 1.00e+01 1.00e-02 1.54e+01 dihedral pdb=" CB CYS C 762 " pdb=" SG CYS C 762 " pdb=" SG CYS C 771 " pdb=" CB CYS C 771 " ideal model delta sinusoidal sigma weight residual -86.00 -53.09 -32.91 1 1.00e+01 1.00e-02 1.54e+01 dihedral pdb=" CB CYS B 762 " pdb=" SG CYS B 762 " pdb=" SG CYS B 771 " pdb=" CB CYS B 771 " ideal model delta sinusoidal sigma weight residual -86.00 -53.10 -32.90 1 1.00e+01 1.00e-02 1.54e+01 ... (remaining 27405 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.041: 4454 0.041 - 0.083: 725 0.083 - 0.124: 429 0.124 - 0.165: 59 0.165 - 0.207: 6 Chirality restraints: 5673 Sorted by residual: chirality pdb=" C1 NAG C1407 " pdb=" ND2 ASN C 365 " pdb=" C2 NAG C1407 " pdb=" O5 NAG C1407 " both_signs ideal model delta sigma weight residual False -2.40 -2.19 -0.21 2.00e-01 2.50e+01 1.07e+00 chirality pdb=" C1 NAG B1407 " pdb=" ND2 ASN B 365 " pdb=" C2 NAG B1407 " pdb=" O5 NAG B1407 " both_signs ideal model delta sigma weight residual False -2.40 -2.19 -0.21 2.00e-01 2.50e+01 1.06e+00 chirality pdb=" C1 NAG A1407 " pdb=" ND2 ASN A 365 " pdb=" C2 NAG A1407 " pdb=" O5 NAG A1407 " both_signs ideal model delta sigma weight residual False -2.40 -2.20 -0.20 2.00e-01 2.50e+01 1.05e+00 ... (remaining 5670 not shown) Planarity restraints: 9123 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C PRO B1125 " -0.027 5.00e-02 4.00e+02 4.02e-02 2.59e+00 pdb=" N PRO B1126 " 0.070 5.00e-02 4.00e+02 pdb=" CA PRO B1126 " -0.020 5.00e-02 4.00e+02 pdb=" CD PRO B1126 " -0.023 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C PRO A1125 " -0.027 5.00e-02 4.00e+02 3.99e-02 2.55e+00 pdb=" N PRO A1126 " 0.069 5.00e-02 4.00e+02 pdb=" CA PRO A1126 " -0.020 5.00e-02 4.00e+02 pdb=" CD PRO A1126 " -0.023 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C PRO C1125 " 0.027 5.00e-02 4.00e+02 3.99e-02 2.55e+00 pdb=" N PRO C1126 " -0.069 5.00e-02 4.00e+02 pdb=" CA PRO C1126 " 0.020 5.00e-02 4.00e+02 pdb=" CD PRO C1126 " 0.023 5.00e-02 4.00e+02 ... (remaining 9120 not shown) Histogram of nonbonded interaction distances: 1.72 - 2.30: 1531 2.30 - 2.87: 32426 2.87 - 3.45: 60412 3.45 - 4.02: 93448 4.02 - 4.60: 126941 Nonbonded interactions: 314758 Sorted by model distance: nonbonded pdb=" O VAL A 875 " pdb="HE22 GLN C 488 " model vdw 1.724 2.450 nonbonded pdb=" O ASP A 209 " pdb=" H VAL A 281 " model vdw 1.731 2.450 nonbonded pdb=" O ASP B 209 " pdb=" H VAL B 281 " model vdw 1.731 2.450 nonbonded pdb=" O ASP C 209 " pdb=" H VAL C 281 " model vdw 1.732 2.450 nonbonded pdb=" H MET A 797 " pdb=" O HIS A 801 " model vdw 1.733 2.450 ... (remaining 314753 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Time spend for trying shortcut: 0.08 Found NCS groups: ncs_group { reference = chain 'A' selection = chain 'B' selection = chain 'C' } ncs_group { reference = (chain 'D' and resid 1 through 4) selection = (chain 'F' and resid 1 through 4) selection = (chain 'J' and resid 1 through 4) selection = (chain 'T' and resid 1 through 4) selection = (chain 'V' and resid 1 through 4) selection = (chain 'Z' and resid 1 through 4) selection = (chain 'j' and resid 1 through 4) selection = (chain 'l' and resid 1 through 4) selection = (chain 'p' and resid 1 through 4) } ncs_group { reference = (chain 'E' and resid 1 through 2) selection = (chain 'G' and resid 1 through 2) selection = (chain 'I' and resid 1 through 2) selection = (chain 'R' and resid 1 through 2) selection = (chain 'U' and resid 1 through 2) selection = (chain 'W' and resid 1 through 2) selection = (chain 'Y' and resid 1 through 2) selection = (chain 'h' and resid 1 through 2) selection = (chain 'k' and resid 1 through 2) selection = (chain 'm' and resid 1 through 2) selection = (chain 'o' and resid 1 through 2) selection = (chain 'x' and resid 1 through 2) } ncs_group { reference = (chain 'H' and resid 1 through 3) selection = (chain 'K' and resid 1 through 3) selection = (chain 'N' and resid 1 through 3) selection = (chain 'X' and resid 1 through 3) selection = (chain 'a' and resid 1 through 3) selection = (chain 'd' and resid 1 through 3) selection = (chain 'n' and resid 1 through 3) selection = (chain 'q' and resid 1 through 3) selection = (chain 't' and resid 1 through 3) } ncs_group { reference = chain 'L' selection = chain 'O' selection = chain 'Q' selection = chain 'b' selection = chain 'e' selection = chain 'g' selection = chain 'r' selection = chain 'u' selection = chain 'w' } ncs_group { reference = (chain 'M' and resid 1) selection = (chain 'P' and resid 1) selection = (chain 'S' and resid 1) selection = (chain 'c' and resid 1) selection = (chain 'f' and resid 1) selection = (chain 'i' and resid 1) selection = (chain 's' and resid 1) selection = (chain 'v' and resid 1) selection = (chain 'y' and resid 1) } 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=0.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.790 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: 0.300 Extract box with map and model: 0.570 Check model and map are aligned: 0.110 Set scattering table: 0.100 Process input model: 37.860 Find NCS groups from input model: 1.440 Set up NCS constraints: 0.180 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: 0.010 Load rotamer database and sin/cos tables:8.280 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 52.640 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7791 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 : 0.002 0.033 33165 Z= 0.097 Angle : 0.485 7.190 45423 Z= 0.246 Chirality : 0.041 0.207 5673 Planarity : 0.003 0.040 5436 Dihedral : 12.147 88.760 15144 Min Nonbonded Distance : 2.118 Molprobity Statistics. All-atom Clashscore : 14.52 Ramachandran Plot: Outliers : 0.08 % Allowed : 2.01 % Favored : 97.91 % Rotamer: Outliers : 0.00 % Allowed : 0.55 % Favored : 99.45 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 0.58 (0.14), residues: 3729 helix: 2.39 (0.18), residues: 747 sheet: 1.00 (0.18), residues: 768 loop : -0.57 (0.13), residues: 2214 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.004 0.000 ARG A1161 TYR 0.012 0.001 TYR C 990 PHE 0.018 0.001 PHE A1311 TRP 0.005 0.001 TRP C 147 HIS 0.002 0.000 HIS C 677 Details of bonding type rmsd covalent geometry : bond 0.00171 (32892) covalent geometry : angle 0.45378 (44658) SS BOND : bond 0.00133 ( 54) SS BOND : angle 0.60977 ( 108) hydrogen bonds : bond 0.18296 ( 1159) hydrogen bonds : angle 7.37693 ( 3333) link_ALPHA1-3 : bond 0.01046 ( 15) link_ALPHA1-3 : angle 1.38762 ( 45) link_ALPHA1-6 : bond 0.00535 ( 24) link_ALPHA1-6 : angle 1.71441 ( 72) link_BETA1-4 : bond 0.00350 ( 81) link_BETA1-4 : angle 1.43627 ( 243) link_BETA1-6 : bond 0.00366 ( 21) link_BETA1-6 : angle 1.22968 ( 63) link_NAG-ASN : bond 0.00215 ( 78) link_NAG-ASN : angle 1.56081 ( 234) *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Evaluate side-chains 409 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 409 time to evaluate : 1.244 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 20 ASN cc_start: 0.6546 (m110) cc_final: 0.6232 (m110) REVERT: A 217 MET cc_start: 0.3012 (mmt) cc_final: 0.2800 (pmm) REVERT: A 300 GLU cc_start: 0.7829 (pt0) cc_final: 0.7418 (pt0) REVERT: A 315 GLU cc_start: 0.7922 (mt-10) cc_final: 0.7186 (pm20) REVERT: A 385 ASP cc_start: 0.6669 (m-30) cc_final: 0.6334 (m-30) REVERT: A 408 LEU cc_start: 0.8057 (mt) cc_final: 0.7740 (mm) REVERT: A 893 MET cc_start: 0.8961 (ttp) cc_final: 0.8701 (ttp) REVERT: A 1006 MET cc_start: 0.8581 (mmm) cc_final: 0.8364 (mmm) REVERT: A 1133 ASP cc_start: 0.7776 (t70) cc_final: 0.7530 (t70) REVERT: A 1210 GLU cc_start: 0.8102 (mt-10) cc_final: 0.7737 (mp0) REVERT: B 20 ASN cc_start: 0.6797 (m110) cc_final: 0.6324 (m110) REVERT: B 315 GLU cc_start: 0.8079 (mt-10) cc_final: 0.7241 (pm20) REVERT: B 385 ASP cc_start: 0.6695 (m-30) cc_final: 0.6476 (m-30) REVERT: B 440 ARG cc_start: 0.8018 (ttt180) cc_final: 0.7049 (ttp-170) REVERT: B 448 GLN cc_start: 0.7751 (mm110) cc_final: 0.7426 (tp40) REVERT: B 583 ASN cc_start: 0.8691 (m-40) cc_final: 0.8477 (m110) REVERT: B 789 ASN cc_start: 0.7541 (m-40) cc_final: 0.7278 (m110) REVERT: B 960 LYS cc_start: 0.8197 (mptt) cc_final: 0.7777 (mmtm) REVERT: B 1006 MET cc_start: 0.8671 (mmm) cc_final: 0.8395 (mmm) REVERT: B 1086 GLU cc_start: 0.7585 (mt-10) cc_final: 0.7287 (mm-30) REVERT: C 300 GLU cc_start: 0.7723 (pt0) cc_final: 0.7491 (pt0) REVERT: C 305 ASP cc_start: 0.8507 (m-30) cc_final: 0.8286 (m-30) REVERT: C 315 GLU cc_start: 0.7946 (mt-10) cc_final: 0.7417 (pm20) REVERT: C 404 MET cc_start: 0.7860 (tpp) cc_final: 0.7461 (tpp) REVERT: C 420 GLN cc_start: 0.8303 (mt0) cc_final: 0.8057 (mt0) REVERT: C 893 MET cc_start: 0.8988 (ttp) cc_final: 0.8674 (ttp) REVERT: C 945 ASP cc_start: 0.6987 (t0) cc_final: 0.6722 (t0) REVERT: C 1153 GLU cc_start: 0.7568 (pp20) cc_final: 0.7282 (tm-30) REVERT: C 1236 MET cc_start: 0.9044 (ptm) cc_final: 0.8838 (ptp) REVERT: C 1250 GLU cc_start: 0.7907 (pm20) cc_final: 0.7587 (pm20) REVERT: C 1258 ASN cc_start: 0.7557 (m110) cc_final: 0.7179 (p0) outliers start: 0 outliers final: 1 residues processed: 409 average time/residue: 0.9215 time to fit residues: 440.1951 Evaluate side-chains 327 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 1 poor density : 326 time to evaluate : 1.210 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 1250 GLU Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 375 random chunks: chunk 197 optimal weight: 1.9990 chunk 215 optimal weight: 5.9990 chunk 20 optimal weight: 4.9990 chunk 132 optimal weight: 8.9990 chunk 261 optimal weight: 6.9990 chunk 248 optimal weight: 2.9990 chunk 207 optimal weight: 2.9990 chunk 155 optimal weight: 6.9990 chunk 244 optimal weight: 2.9990 chunk 183 optimal weight: 1.9990 chunk 298 optimal weight: 2.9990 overall best weight: 2.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 263 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 289 ASN A 467 ASN A 668 GLN A 812 ASN A1071 GLN A1290 ASN B 143 ASN ** B 263 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 289 ASN B 467 ASN B 500 ASN B 750 GLN B1033 GLN B1046 ASN B1071 GLN B1277 GLN ** B1290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 263 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 289 ASN C 467 ASN ** C 639 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 668 GLN C 750 GLN C 917 GLN C1071 GLN Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4114 r_free = 0.4114 target = 0.190494 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 47)----------------| | r_work = 0.3521 r_free = 0.3521 target = 0.136069 restraints weight = 40505.245| |-----------------------------------------------------------------------------| r_work (start): 0.3502 rms_B_bonded: 1.88 r_work: 0.3340 rms_B_bonded: 2.18 restraints_weight: 0.5000 r_work: 0.3227 rms_B_bonded: 3.41 restraints_weight: 0.2500 r_work (final): 0.3227 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8017 moved from start: 0.1843 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.092 33165 Z= 0.301 Angle : 0.746 15.883 45423 Z= 0.382 Chirality : 0.050 0.213 5673 Planarity : 0.005 0.062 5436 Dihedral : 7.253 137.424 8424 Min Nonbonded Distance : 2.229 Molprobity Statistics. All-atom Clashscore : 12.67 Ramachandran Plot: Outliers : 0.08 % Allowed : 2.55 % Favored : 97.37 % Rotamer: Outliers : 1.07 % Allowed : 6.32 % Favored : 92.60 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 0.04 (0.13), residues: 3729 helix: 1.33 (0.17), residues: 756 sheet: 0.65 (0.18), residues: 726 loop : -0.65 (0.13), residues: 2247 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.009 0.001 ARG B1178 TYR 0.045 0.003 TYR B 698 PHE 0.026 0.003 PHE A1311 TRP 0.021 0.002 TRP C 383 HIS 0.008 0.003 HIS C1295 Details of bonding type rmsd covalent geometry : bond 0.00664 (32892) covalent geometry : angle 0.71417 (44658) SS BOND : bond 0.01103 ( 54) SS BOND : angle 2.11198 ( 108) hydrogen bonds : bond 0.07717 ( 1159) hydrogen bonds : angle 6.06342 ( 3333) link_ALPHA1-3 : bond 0.00752 ( 15) link_ALPHA1-3 : angle 1.59738 ( 45) link_ALPHA1-6 : bond 0.00398 ( 24) link_ALPHA1-6 : angle 1.98510 ( 72) link_BETA1-4 : bond 0.00393 ( 81) link_BETA1-4 : angle 1.65987 ( 243) link_BETA1-6 : bond 0.00332 ( 21) link_BETA1-6 : angle 1.39859 ( 63) link_NAG-ASN : bond 0.00413 ( 78) link_NAG-ASN : angle 1.86938 ( 234) *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Evaluate side-chains 384 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 35 poor density : 349 time to evaluate : 1.062 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 217 MET cc_start: 0.3383 (mmt) cc_final: 0.2756 (pmm) REVERT: A 300 GLU cc_start: 0.7955 (pt0) cc_final: 0.7544 (pt0) REVERT: A 315 GLU cc_start: 0.8211 (mt-10) cc_final: 0.7599 (pm20) REVERT: A 385 ASP cc_start: 0.7122 (m-30) cc_final: 0.6852 (m-30) REVERT: A 532 GLU cc_start: 0.8679 (OUTLIER) cc_final: 0.8356 (mm-30) REVERT: A 730 ARG cc_start: 0.7134 (OUTLIER) cc_final: 0.6741 (mtp85) REVERT: A 975 LYS cc_start: 0.7300 (mttp) cc_final: 0.6524 (pttm) REVERT: A 1006 MET cc_start: 0.8900 (mmm) cc_final: 0.8682 (mmm) REVERT: A 1210 GLU cc_start: 0.8383 (mt-10) cc_final: 0.8076 (mp0) REVERT: B 20 ASN cc_start: 0.7147 (m110) cc_final: 0.6731 (m110) REVERT: B 315 GLU cc_start: 0.8311 (mt-10) cc_final: 0.7440 (pm20) REVERT: B 440 ARG cc_start: 0.8298 (ttt180) cc_final: 0.7498 (ttp-170) REVERT: B 448 GLN cc_start: 0.7951 (mm110) cc_final: 0.7592 (tp40) REVERT: B 532 GLU cc_start: 0.8555 (OUTLIER) cc_final: 0.7951 (mt-10) REVERT: B 750 GLN cc_start: 0.8148 (OUTLIER) cc_final: 0.7606 (mp-120) REVERT: B 960 LYS cc_start: 0.8708 (mptt) cc_final: 0.8033 (mptt) REVERT: B 1006 MET cc_start: 0.9172 (mmm) cc_final: 0.8865 (mmm) REVERT: B 1086 GLU cc_start: 0.7803 (mt-10) cc_final: 0.7590 (mt-10) REVERT: B 1161 ARG cc_start: 0.8197 (OUTLIER) cc_final: 0.7422 (ttp-170) REVERT: C 300 GLU cc_start: 0.7856 (pt0) cc_final: 0.7622 (pt0) REVERT: C 315 GLU cc_start: 0.8128 (mt-10) cc_final: 0.7487 (pm20) REVERT: C 334 ASP cc_start: 0.6536 (p0) cc_final: 0.6211 (p0) REVERT: C 404 MET cc_start: 0.8135 (tpp) cc_final: 0.7533 (tpp) REVERT: C 420 GLN cc_start: 0.8514 (mt0) cc_final: 0.8107 (mt0) REVERT: C 532 GLU cc_start: 0.8835 (OUTLIER) cc_final: 0.8430 (mt-10) REVERT: C 730 ARG cc_start: 0.7241 (OUTLIER) cc_final: 0.5851 (mtp180) REVERT: C 750 GLN cc_start: 0.8336 (OUTLIER) cc_final: 0.7957 (mp-120) REVERT: C 1153 GLU cc_start: 0.7737 (pp20) cc_final: 0.7446 (tm-30) REVERT: C 1236 MET cc_start: 0.8978 (ptm) cc_final: 0.8771 (ptp) REVERT: C 1258 ASN cc_start: 0.7903 (m110) cc_final: 0.7575 (p0) outliers start: 35 outliers final: 19 residues processed: 368 average time/residue: 0.8937 time to fit residues: 385.9605 Evaluate side-chains 366 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 27 poor density : 339 time to evaluate : 1.138 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 100 ASN Chi-restraints excluded: chain A residue 237 THR Chi-restraints excluded: chain A residue 525 GLU Chi-restraints excluded: chain A residue 532 GLU Chi-restraints excluded: chain A residue 730 ARG Chi-restraints excluded: chain A residue 752 THR Chi-restraints excluded: chain A residue 1153 GLU Chi-restraints excluded: chain A residue 1161 ARG Chi-restraints excluded: chain A residue 1175 THR Chi-restraints excluded: chain A residue 1244 THR Chi-restraints excluded: chain B residue 100 ASN Chi-restraints excluded: chain B residue 237 THR Chi-restraints excluded: chain B residue 525 GLU Chi-restraints excluded: chain B residue 532 GLU Chi-restraints excluded: chain B residue 674 GLU Chi-restraints excluded: chain B residue 750 GLN Chi-restraints excluded: chain B residue 898 SER Chi-restraints excluded: chain B residue 1161 ARG Chi-restraints excluded: chain B residue 1175 THR Chi-restraints excluded: chain C residue 43 VAL Chi-restraints excluded: chain C residue 100 ASN Chi-restraints excluded: chain C residue 237 THR Chi-restraints excluded: chain C residue 525 GLU Chi-restraints excluded: chain C residue 532 GLU Chi-restraints excluded: chain C residue 730 ARG Chi-restraints excluded: chain C residue 750 GLN Chi-restraints excluded: chain C residue 1159 SER Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 375 random chunks: chunk 344 optimal weight: 0.6980 chunk 73 optimal weight: 0.6980 chunk 202 optimal weight: 1.9990 chunk 229 optimal weight: 0.9980 chunk 302 optimal weight: 1.9990 chunk 41 optimal weight: 0.9990 chunk 187 optimal weight: 3.9990 chunk 124 optimal weight: 4.9990 chunk 150 optimal weight: 0.7980 chunk 198 optimal weight: 0.8980 chunk 313 optimal weight: 2.9990 overall best weight: 0.8180 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 668 GLN A 812 ASN ** B 263 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 673 GLN B 812 ASN B 918 ASN ** B1290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 20 ASN ** C 263 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 639 GLN C 918 ASN C 989 GLN ** C1290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 9 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4120 r_free = 0.4120 target = 0.190491 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 43)----------------| | r_work = 0.3618 r_free = 0.3618 target = 0.145340 restraints weight = 40153.968| |-----------------------------------------------------------------------------| r_work (start): 0.3572 rms_B_bonded: 3.62 r_work: 0.3306 rms_B_bonded: 2.37 restraints_weight: 0.5000 r_work: 0.3187 rms_B_bonded: 3.72 restraints_weight: 0.2500 r_work (final): 0.3187 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7995 moved from start: 0.1867 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.053 33165 Z= 0.131 Angle : 0.540 10.873 45423 Z= 0.276 Chirality : 0.042 0.168 5673 Planarity : 0.003 0.050 5436 Dihedral : 6.642 59.859 8421 Min Nonbonded Distance : 2.131 Molprobity Statistics. All-atom Clashscore : 13.68 Ramachandran Plot: Outliers : 0.08 % Allowed : 2.33 % Favored : 97.59 % Rotamer: Outliers : 1.07 % Allowed : 7.15 % Favored : 91.77 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 0.26 (0.13), residues: 3729 helix: 1.97 (0.18), residues: 738 sheet: 0.52 (0.18), residues: 720 loop : -0.56 (0.13), residues: 2271 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.002 0.000 ARG A1134 TYR 0.021 0.002 TYR B1179 PHE 0.019 0.001 PHE C1311 TRP 0.008 0.001 TRP C 383 HIS 0.004 0.001 HIS B1187 Details of bonding type rmsd covalent geometry : bond 0.00268 (32892) covalent geometry : angle 0.50923 (44658) SS BOND : bond 0.00495 ( 54) SS BOND : angle 1.20893 ( 108) hydrogen bonds : bond 0.05821 ( 1159) hydrogen bonds : angle 5.61080 ( 3333) link_ALPHA1-3 : bond 0.00802 ( 15) link_ALPHA1-3 : angle 1.50309 ( 45) link_ALPHA1-6 : bond 0.00462 ( 24) link_ALPHA1-6 : angle 1.78945 ( 72) link_BETA1-4 : bond 0.00327 ( 81) link_BETA1-4 : angle 1.46976 ( 243) link_BETA1-6 : bond 0.00302 ( 21) link_BETA1-6 : angle 1.29719 ( 63) link_NAG-ASN : bond 0.00212 ( 78) link_NAG-ASN : angle 1.55233 ( 234) *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Evaluate side-chains 387 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 35 poor density : 352 time to evaluate : 1.158 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 217 MET cc_start: 0.3426 (mmt) cc_final: 0.2731 (pmm) REVERT: A 300 GLU cc_start: 0.7963 (pt0) cc_final: 0.7573 (pt0) REVERT: A 315 GLU cc_start: 0.8248 (mt-10) cc_final: 0.7574 (pm20) REVERT: A 385 ASP cc_start: 0.6959 (m-30) cc_final: 0.6680 (m-30) REVERT: A 440 ARG cc_start: 0.8197 (ttt180) cc_final: 0.7489 (ttp-170) REVERT: A 532 GLU cc_start: 0.8571 (OUTLIER) cc_final: 0.8299 (mm-30) REVERT: A 674 GLU cc_start: 0.7354 (OUTLIER) cc_final: 0.6992 (tp30) REVERT: A 1006 MET cc_start: 0.8898 (mmm) cc_final: 0.8606 (mmm) REVERT: A 1210 GLU cc_start: 0.8087 (mt-10) cc_final: 0.7744 (mp0) REVERT: B 315 GLU cc_start: 0.8326 (mt-10) cc_final: 0.7439 (pm20) REVERT: B 448 GLN cc_start: 0.7949 (mm110) cc_final: 0.7590 (tp40) REVERT: B 532 GLU cc_start: 0.8475 (OUTLIER) cc_final: 0.7864 (mt-10) REVERT: B 1006 MET cc_start: 0.9176 (mmm) cc_final: 0.8832 (mmm) REVERT: B 1175 THR cc_start: 0.8787 (OUTLIER) cc_final: 0.8374 (m) REVERT: C 248 LEU cc_start: 0.8689 (pp) cc_final: 0.8436 (pt) REVERT: C 300 GLU cc_start: 0.7912 (pt0) cc_final: 0.7677 (pt0) REVERT: C 315 GLU cc_start: 0.8187 (mt-10) cc_final: 0.7535 (pm20) REVERT: C 404 MET cc_start: 0.8067 (tpp) cc_final: 0.7677 (tpp) REVERT: C 420 GLN cc_start: 0.8511 (mt0) cc_final: 0.8105 (mt0) REVERT: C 532 GLU cc_start: 0.8810 (OUTLIER) cc_final: 0.8469 (mt-10) REVERT: C 789 ASN cc_start: 0.8134 (m-40) cc_final: 0.7852 (m-40) REVERT: C 1153 GLU cc_start: 0.7704 (pp20) cc_final: 0.7457 (tt0) REVERT: C 1258 ASN cc_start: 0.7830 (m110) cc_final: 0.7485 (p0) outliers start: 35 outliers final: 24 residues processed: 367 average time/residue: 0.8738 time to fit residues: 378.0872 Evaluate side-chains 364 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 29 poor density : 335 time to evaluate : 1.215 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 100 ASN Chi-restraints excluded: chain A residue 237 THR Chi-restraints excluded: chain A residue 525 GLU Chi-restraints excluded: chain A residue 532 GLU Chi-restraints excluded: chain A residue 674 GLU Chi-restraints excluded: chain A residue 750 GLN Chi-restraints excluded: chain A residue 982 VAL Chi-restraints excluded: chain A residue 1102 LEU Chi-restraints excluded: chain A residue 1153 GLU Chi-restraints excluded: chain A residue 1161 ARG Chi-restraints excluded: chain A residue 1244 THR Chi-restraints excluded: chain B residue 100 ASN Chi-restraints excluded: chain B residue 237 THR Chi-restraints excluded: chain B residue 525 GLU Chi-restraints excluded: chain B residue 532 GLU Chi-restraints excluded: chain B residue 898 SER Chi-restraints excluded: chain B residue 982 VAL Chi-restraints excluded: chain B residue 1082 SER Chi-restraints excluded: chain B residue 1175 THR Chi-restraints excluded: chain B residue 1261 VAL Chi-restraints excluded: chain C residue 74 MET Chi-restraints excluded: chain C residue 100 ASN Chi-restraints excluded: chain C residue 217 MET Chi-restraints excluded: chain C residue 237 THR Chi-restraints excluded: chain C residue 525 GLU Chi-restraints excluded: chain C residue 532 GLU Chi-restraints excluded: chain C residue 885 MET Chi-restraints excluded: chain C residue 898 SER Chi-restraints excluded: chain C residue 1159 SER Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 375 random chunks: chunk 319 optimal weight: 0.8980 chunk 151 optimal weight: 7.9990 chunk 146 optimal weight: 5.9990 chunk 42 optimal weight: 0.5980 chunk 226 optimal weight: 0.9980 chunk 273 optimal weight: 3.9990 chunk 15 optimal weight: 6.9990 chunk 164 optimal weight: 4.9990 chunk 307 optimal weight: 3.9990 chunk 166 optimal weight: 0.5980 chunk 180 optimal weight: 0.6980 overall best weight: 0.7580 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 668 GLN A 812 ASN A1290 ASN B 673 GLN ** B1290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1290 ASN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4124 r_free = 0.4124 target = 0.190878 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 47)----------------| | r_work = 0.3656 r_free = 0.3656 target = 0.146429 restraints weight = 40027.401| |-----------------------------------------------------------------------------| r_work (start): 0.3612 rms_B_bonded: 3.06 r_work: 0.3326 rms_B_bonded: 2.23 restraints_weight: 0.5000 r_work: 0.3205 rms_B_bonded: 3.54 restraints_weight: 0.2500 r_work (final): 0.3205 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7943 moved from start: 0.2016 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.042 33165 Z= 0.124 Angle : 0.516 8.959 45423 Z= 0.263 Chirality : 0.042 0.164 5673 Planarity : 0.003 0.052 5436 Dihedral : 6.351 59.735 8421 Min Nonbonded Distance : 2.328 Molprobity Statistics. All-atom Clashscore : 13.81 Ramachandran Plot: Outliers : 0.08 % Allowed : 2.68 % Favored : 97.24 % Rotamer: Outliers : 1.20 % Allowed : 7.89 % Favored : 90.91 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 0.34 (0.13), residues: 3729 helix: 2.24 (0.18), residues: 732 sheet: 0.39 (0.19), residues: 711 loop : -0.50 (0.13), residues: 2286 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.004 0.000 ARG B 575 TYR 0.020 0.002 TYR B1179 PHE 0.018 0.001 PHE C1311 TRP 0.008 0.001 TRP C 383 HIS 0.003 0.001 HIS B1187 Details of bonding type rmsd covalent geometry : bond 0.00253 (32892) covalent geometry : angle 0.48591 (44658) SS BOND : bond 0.00451 ( 54) SS BOND : angle 1.02248 ( 108) hydrogen bonds : bond 0.05413 ( 1159) hydrogen bonds : angle 5.37272 ( 3333) link_ALPHA1-3 : bond 0.00798 ( 15) link_ALPHA1-3 : angle 1.45622 ( 45) link_ALPHA1-6 : bond 0.00453 ( 24) link_ALPHA1-6 : angle 1.75248 ( 72) link_BETA1-4 : bond 0.00334 ( 81) link_BETA1-4 : angle 1.44565 ( 243) link_BETA1-6 : bond 0.00302 ( 21) link_BETA1-6 : angle 1.27592 ( 63) link_NAG-ASN : bond 0.00200 ( 78) link_NAG-ASN : angle 1.44636 ( 234) *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Evaluate side-chains 383 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 39 poor density : 344 time to evaluate : 1.255 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 217 MET cc_start: 0.3540 (mmt) cc_final: 0.2738 (pmm) REVERT: A 300 GLU cc_start: 0.7936 (pt0) cc_final: 0.7547 (pt0) REVERT: A 315 GLU cc_start: 0.8158 (mt-10) cc_final: 0.7537 (pm20) REVERT: A 385 ASP cc_start: 0.7080 (m-30) cc_final: 0.6783 (m-30) REVERT: A 440 ARG cc_start: 0.8164 (ttt180) cc_final: 0.7373 (ttp-170) REVERT: A 532 GLU cc_start: 0.8494 (OUTLIER) cc_final: 0.8219 (mm-30) REVERT: A 1006 MET cc_start: 0.8857 (mmm) cc_final: 0.8588 (mmm) REVERT: A 1161 ARG cc_start: 0.8313 (OUTLIER) cc_final: 0.7373 (ttp-170) REVERT: A 1210 GLU cc_start: 0.8032 (mt-10) cc_final: 0.7674 (mp0) REVERT: B 20 ASN cc_start: 0.7479 (m110) cc_final: 0.7186 (m110) REVERT: B 315 GLU cc_start: 0.8253 (mt-10) cc_final: 0.7363 (pm20) REVERT: B 532 GLU cc_start: 0.8412 (OUTLIER) cc_final: 0.7847 (mt-10) REVERT: B 1006 MET cc_start: 0.9141 (mmm) cc_final: 0.8829 (mmm) REVERT: B 1175 THR cc_start: 0.8744 (OUTLIER) cc_final: 0.8382 (m) REVERT: B 1250 GLU cc_start: 0.7854 (pm20) cc_final: 0.7539 (mp0) REVERT: C 248 LEU cc_start: 0.8674 (pp) cc_final: 0.8442 (pt) REVERT: C 300 GLU cc_start: 0.7926 (pt0) cc_final: 0.7688 (pt0) REVERT: C 315 GLU cc_start: 0.8117 (mt-10) cc_final: 0.7486 (pm20) REVERT: C 385 ASP cc_start: 0.6772 (m-30) cc_final: 0.6539 (m-30) REVERT: C 404 MET cc_start: 0.8030 (tpp) cc_final: 0.7623 (tpp) REVERT: C 420 GLN cc_start: 0.8494 (mt0) cc_final: 0.8086 (mt0) REVERT: C 532 GLU cc_start: 0.8771 (OUTLIER) cc_final: 0.8429 (mt-10) REVERT: C 730 ARG cc_start: 0.7152 (OUTLIER) cc_final: 0.5887 (mtp180) REVERT: C 789 ASN cc_start: 0.8226 (m-40) cc_final: 0.7941 (m-40) REVERT: C 1153 GLU cc_start: 0.7704 (pp20) cc_final: 0.7484 (tt0) REVERT: C 1258 ASN cc_start: 0.7804 (m110) cc_final: 0.7423 (p0) outliers start: 39 outliers final: 22 residues processed: 363 average time/residue: 0.8607 time to fit residues: 368.7857 Evaluate side-chains 365 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 28 poor density : 337 time to evaluate : 1.298 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 100 ASN Chi-restraints excluded: chain A residue 237 THR Chi-restraints excluded: chain A residue 288 ASN Chi-restraints excluded: chain A residue 525 GLU Chi-restraints excluded: chain A residue 532 GLU Chi-restraints excluded: chain A residue 750 GLN Chi-restraints excluded: chain A residue 982 VAL Chi-restraints excluded: chain A residue 1082 SER Chi-restraints excluded: chain A residue 1153 GLU Chi-restraints excluded: chain A residue 1161 ARG Chi-restraints excluded: chain B residue 100 ASN Chi-restraints excluded: chain B residue 525 GLU Chi-restraints excluded: chain B residue 532 GLU Chi-restraints excluded: chain B residue 674 GLU Chi-restraints excluded: chain B residue 898 SER Chi-restraints excluded: chain B residue 982 VAL Chi-restraints excluded: chain B residue 1082 SER Chi-restraints excluded: chain B residue 1175 THR Chi-restraints excluded: chain B residue 1261 VAL Chi-restraints excluded: chain C residue 100 ASN Chi-restraints excluded: chain C residue 217 MET Chi-restraints excluded: chain C residue 237 THR Chi-restraints excluded: chain C residue 288 ASN Chi-restraints excluded: chain C residue 532 GLU Chi-restraints excluded: chain C residue 730 ARG Chi-restraints excluded: chain C residue 885 MET Chi-restraints excluded: chain C residue 898 SER Chi-restraints excluded: chain C residue 1159 SER Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 375 random chunks: chunk 158 optimal weight: 1.9990 chunk 278 optimal weight: 3.9990 chunk 151 optimal weight: 0.9990 chunk 314 optimal weight: 4.9990 chunk 59 optimal weight: 2.9990 chunk 7 optimal weight: 7.9990 chunk 282 optimal weight: 2.9990 chunk 194 optimal weight: 0.0040 chunk 267 optimal weight: 0.9990 chunk 38 optimal weight: 6.9990 chunk 135 optimal weight: 0.2980 overall best weight: 0.8598 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 20 ASN A 668 GLN A 812 ASN A1290 ASN B 673 GLN ** B1290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 20 ASN C 39 ASN Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4119 r_free = 0.4119 target = 0.190469 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 44)----------------| | r_work = 0.3654 r_free = 0.3654 target = 0.146908 restraints weight = 39998.777| |-----------------------------------------------------------------------------| r_work (start): 0.3608 rms_B_bonded: 3.30 r_work: 0.3321 rms_B_bonded: 2.24 restraints_weight: 0.5000 r_work: 0.3201 rms_B_bonded: 3.53 restraints_weight: 0.2500 r_work (final): 0.3201 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7938 moved from start: 0.2138 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.038 33165 Z= 0.130 Angle : 0.522 10.937 45423 Z= 0.266 Chirality : 0.042 0.174 5673 Planarity : 0.003 0.048 5436 Dihedral : 6.244 59.671 8421 Min Nonbonded Distance : 2.323 Molprobity Statistics. All-atom Clashscore : 13.93 Ramachandran Plot: Outliers : 0.08 % Allowed : 2.41 % Favored : 97.51 % Rotamer: Outliers : 1.23 % Allowed : 8.69 % Favored : 90.09 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 0.30 (0.13), residues: 3729 helix: 2.25 (0.18), residues: 732 sheet: 0.31 (0.18), residues: 726 loop : -0.53 (0.13), residues: 2271 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.004 0.000 ARG A 871 TYR 0.020 0.002 TYR B1179 PHE 0.018 0.001 PHE C1311 TRP 0.009 0.001 TRP C 383 HIS 0.004 0.001 HIS B1187 Details of bonding type rmsd covalent geometry : bond 0.00269 (32892) covalent geometry : angle 0.49327 (44658) SS BOND : bond 0.00483 ( 54) SS BOND : angle 1.12364 ( 108) hydrogen bonds : bond 0.05480 ( 1159) hydrogen bonds : angle 5.33994 ( 3333) link_ALPHA1-3 : bond 0.00786 ( 15) link_ALPHA1-3 : angle 1.41540 ( 45) link_ALPHA1-6 : bond 0.00450 ( 24) link_ALPHA1-6 : angle 1.72804 ( 72) link_BETA1-4 : bond 0.00335 ( 81) link_BETA1-4 : angle 1.44297 ( 243) link_BETA1-6 : bond 0.00294 ( 21) link_BETA1-6 : angle 1.27278 ( 63) link_NAG-ASN : bond 0.00201 ( 78) link_NAG-ASN : angle 1.43381 ( 234) *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Evaluate side-chains 381 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 40 poor density : 341 time to evaluate : 1.236 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 217 MET cc_start: 0.3661 (mmt) cc_final: 0.2827 (pmm) REVERT: A 300 GLU cc_start: 0.7924 (pt0) cc_final: 0.7527 (pt0) REVERT: A 315 GLU cc_start: 0.8112 (mt-10) cc_final: 0.7500 (pm20) REVERT: A 385 ASP cc_start: 0.7023 (m-30) cc_final: 0.6729 (m-30) REVERT: A 440 ARG cc_start: 0.8172 (ttt180) cc_final: 0.7372 (ttp-170) REVERT: A 532 GLU cc_start: 0.8493 (OUTLIER) cc_final: 0.8211 (mm-30) REVERT: A 1006 MET cc_start: 0.8923 (mmm) cc_final: 0.8663 (mmm) REVERT: A 1161 ARG cc_start: 0.8321 (OUTLIER) cc_final: 0.7364 (ttp-170) REVERT: B 20 ASN cc_start: 0.7436 (m110) cc_final: 0.7119 (m110) REVERT: B 315 GLU cc_start: 0.8245 (mt-10) cc_final: 0.7353 (pm20) REVERT: B 532 GLU cc_start: 0.8404 (OUTLIER) cc_final: 0.7863 (mt-10) REVERT: B 1006 MET cc_start: 0.9131 (mmm) cc_final: 0.8820 (mmm) REVERT: B 1153 GLU cc_start: 0.7253 (OUTLIER) cc_final: 0.7051 (tt0) REVERT: B 1250 GLU cc_start: 0.7743 (pm20) cc_final: 0.7453 (mp0) REVERT: C 248 LEU cc_start: 0.8688 (pp) cc_final: 0.8449 (pt) REVERT: C 300 GLU cc_start: 0.7897 (pt0) cc_final: 0.7663 (pt0) REVERT: C 315 GLU cc_start: 0.8105 (mt-10) cc_final: 0.7383 (pm20) REVERT: C 404 MET cc_start: 0.8081 (tpp) cc_final: 0.7676 (tpp) REVERT: C 420 GLN cc_start: 0.8487 (mt0) cc_final: 0.8088 (mt0) REVERT: C 532 GLU cc_start: 0.8768 (OUTLIER) cc_final: 0.8454 (mt-10) REVERT: C 730 ARG cc_start: 0.7157 (OUTLIER) cc_final: 0.5986 (mtp180) REVERT: C 789 ASN cc_start: 0.8336 (m-40) cc_final: 0.8029 (m-40) REVERT: C 1153 GLU cc_start: 0.7720 (pp20) cc_final: 0.7500 (tt0) REVERT: C 1258 ASN cc_start: 0.7718 (m110) cc_final: 0.7340 (p0) outliers start: 40 outliers final: 25 residues processed: 361 average time/residue: 0.8558 time to fit residues: 364.4882 Evaluate side-chains 371 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 31 poor density : 340 time to evaluate : 1.198 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 100 ASN Chi-restraints excluded: chain A residue 237 THR Chi-restraints excluded: chain A residue 288 ASN Chi-restraints excluded: chain A residue 525 GLU Chi-restraints excluded: chain A residue 532 GLU Chi-restraints excluded: chain A residue 750 GLN Chi-restraints excluded: chain A residue 982 VAL Chi-restraints excluded: chain A residue 1082 SER Chi-restraints excluded: chain A residue 1153 GLU Chi-restraints excluded: chain A residue 1161 ARG Chi-restraints excluded: chain A residue 1244 THR Chi-restraints excluded: chain A residue 1261 VAL Chi-restraints excluded: chain B residue 100 ASN Chi-restraints excluded: chain B residue 525 GLU Chi-restraints excluded: chain B residue 532 GLU Chi-restraints excluded: chain B residue 674 GLU Chi-restraints excluded: chain B residue 898 SER Chi-restraints excluded: chain B residue 982 VAL Chi-restraints excluded: chain B residue 1082 SER Chi-restraints excluded: chain B residue 1153 GLU Chi-restraints excluded: chain B residue 1175 THR Chi-restraints excluded: chain B residue 1261 VAL Chi-restraints excluded: chain C residue 100 ASN Chi-restraints excluded: chain C residue 217 MET Chi-restraints excluded: chain C residue 237 THR Chi-restraints excluded: chain C residue 532 GLU Chi-restraints excluded: chain C residue 730 ARG Chi-restraints excluded: chain C residue 885 MET Chi-restraints excluded: chain C residue 898 SER Chi-restraints excluded: chain C residue 1159 SER Chi-restraints excluded: chain C residue 1261 VAL Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 375 random chunks: chunk 210 optimal weight: 2.9990 chunk 145 optimal weight: 5.9990 chunk 78 optimal weight: 1.9990 chunk 45 optimal weight: 4.9990 chunk 360 optimal weight: 0.1980 chunk 159 optimal weight: 0.0470 chunk 12 optimal weight: 10.0000 chunk 342 optimal weight: 0.0470 chunk 14 optimal weight: 6.9990 chunk 161 optimal weight: 0.9990 chunk 358 optimal weight: 0.8980 overall best weight: 0.4378 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 20 ASN A 668 GLN A 812 ASN A1033 GLN A1290 ASN B 420 GLN B 673 GLN B 750 GLN B 918 ASN ** B1290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 20 ASN ** C 801 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 918 ASN Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4142 r_free = 0.4142 target = 0.192689 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 45)----------------| | r_work = 0.3667 r_free = 0.3667 target = 0.148297 restraints weight = 39927.664| |-----------------------------------------------------------------------------| r_work (start): 0.3620 rms_B_bonded: 3.19 r_work: 0.3351 rms_B_bonded: 2.30 restraints_weight: 0.5000 r_work: 0.3231 rms_B_bonded: 3.64 restraints_weight: 0.2500 r_work (final): 0.3231 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7916 moved from start: 0.2163 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.034 33165 Z= 0.093 Angle : 0.470 8.411 45423 Z= 0.239 Chirality : 0.040 0.165 5673 Planarity : 0.003 0.044 5436 Dihedral : 5.986 59.555 8421 Min Nonbonded Distance : 2.385 Molprobity Statistics. All-atom Clashscore : 15.14 Ramachandran Plot: Outliers : 0.08 % Allowed : 2.87 % Favored : 97.05 % Rotamer: Outliers : 1.01 % Allowed : 9.05 % Favored : 89.93 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 0.50 (0.14), residues: 3729 helix: 2.71 (0.18), residues: 714 sheet: 0.39 (0.19), residues: 717 loop : -0.46 (0.13), residues: 2298 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.004 0.000 ARG C 871 TYR 0.012 0.001 TYR B1179 PHE 0.017 0.001 PHE C1311 TRP 0.005 0.001 TRP C 383 HIS 0.003 0.001 HIS C1187 Details of bonding type rmsd covalent geometry : bond 0.00183 (32892) covalent geometry : angle 0.44180 (44658) SS BOND : bond 0.00335 ( 54) SS BOND : angle 0.84874 ( 108) hydrogen bonds : bond 0.04770 ( 1159) hydrogen bonds : angle 5.10260 ( 3333) link_ALPHA1-3 : bond 0.00797 ( 15) link_ALPHA1-3 : angle 1.37024 ( 45) link_ALPHA1-6 : bond 0.00446 ( 24) link_ALPHA1-6 : angle 1.65716 ( 72) link_BETA1-4 : bond 0.00333 ( 81) link_BETA1-4 : angle 1.39962 ( 243) link_BETA1-6 : bond 0.00317 ( 21) link_BETA1-6 : angle 1.24101 ( 63) link_NAG-ASN : bond 0.00175 ( 78) link_NAG-ASN : angle 1.31284 ( 234) *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Evaluate side-chains 379 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 33 poor density : 346 time to evaluate : 1.349 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 217 MET cc_start: 0.3649 (mmt) cc_final: 0.2861 (pmm) REVERT: A 300 GLU cc_start: 0.7921 (pt0) cc_final: 0.7532 (pt0) REVERT: A 315 GLU cc_start: 0.8061 (mt-10) cc_final: 0.7494 (pm20) REVERT: A 532 GLU cc_start: 0.8447 (OUTLIER) cc_final: 0.8223 (mm-30) REVERT: A 1006 MET cc_start: 0.8847 (mmm) cc_final: 0.8571 (mmm) REVERT: A 1161 ARG cc_start: 0.8269 (OUTLIER) cc_final: 0.7302 (ttp-170) REVERT: B 20 ASN cc_start: 0.7463 (m110) cc_final: 0.7261 (m110) REVERT: B 144 GLU cc_start: 0.8051 (tt0) cc_final: 0.7799 (tt0) REVERT: B 315 GLU cc_start: 0.8237 (mt-10) cc_final: 0.7341 (pm20) REVERT: B 532 GLU cc_start: 0.8406 (OUTLIER) cc_final: 0.7938 (mt-10) REVERT: B 1006 MET cc_start: 0.9115 (mmm) cc_final: 0.8816 (mmm) REVERT: B 1250 GLU cc_start: 0.7720 (pm20) cc_final: 0.7451 (mp0) REVERT: C 248 LEU cc_start: 0.8682 (pp) cc_final: 0.8455 (pt) REVERT: C 300 GLU cc_start: 0.7915 (pt0) cc_final: 0.7681 (pt0) REVERT: C 315 GLU cc_start: 0.8108 (mt-10) cc_final: 0.7388 (pm20) REVERT: C 420 GLN cc_start: 0.8492 (mt0) cc_final: 0.8081 (mt0) REVERT: C 532 GLU cc_start: 0.8728 (OUTLIER) cc_final: 0.8431 (mt-10) REVERT: C 724 GLU cc_start: 0.7705 (tm-30) cc_final: 0.6947 (tm-30) REVERT: C 730 ARG cc_start: 0.7144 (OUTLIER) cc_final: 0.5894 (mtp180) REVERT: C 789 ASN cc_start: 0.8305 (m-40) cc_final: 0.7995 (m-40) REVERT: C 1258 ASN cc_start: 0.7717 (m110) cc_final: 0.7344 (p0) outliers start: 33 outliers final: 19 residues processed: 363 average time/residue: 0.8571 time to fit residues: 367.7079 Evaluate side-chains 360 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 24 poor density : 336 time to evaluate : 1.187 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 100 ASN Chi-restraints excluded: chain A residue 288 ASN Chi-restraints excluded: chain A residue 525 GLU Chi-restraints excluded: chain A residue 532 GLU Chi-restraints excluded: chain A residue 750 GLN Chi-restraints excluded: chain A residue 1159 SER Chi-restraints excluded: chain A residue 1161 ARG Chi-restraints excluded: chain A residue 1244 THR Chi-restraints excluded: chain B residue 100 ASN Chi-restraints excluded: chain B residue 525 GLU Chi-restraints excluded: chain B residue 532 GLU Chi-restraints excluded: chain B residue 750 GLN Chi-restraints excluded: chain B residue 898 SER Chi-restraints excluded: chain B residue 982 VAL Chi-restraints excluded: chain B residue 1175 THR Chi-restraints excluded: chain C residue 100 ASN Chi-restraints excluded: chain C residue 217 MET Chi-restraints excluded: chain C residue 237 THR Chi-restraints excluded: chain C residue 288 ASN Chi-restraints excluded: chain C residue 532 GLU Chi-restraints excluded: chain C residue 730 ARG Chi-restraints excluded: chain C residue 898 SER Chi-restraints excluded: chain C residue 1159 SER Chi-restraints excluded: chain C residue 1261 VAL Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 375 random chunks: chunk 241 optimal weight: 1.9990 chunk 69 optimal weight: 0.0670 chunk 232 optimal weight: 2.9990 chunk 181 optimal weight: 0.7980 chunk 78 optimal weight: 1.9990 chunk 37 optimal weight: 3.9990 chunk 81 optimal weight: 2.9990 chunk 157 optimal weight: 0.9980 chunk 116 optimal weight: 0.8980 chunk 125 optimal weight: 6.9990 chunk 358 optimal weight: 0.8980 overall best weight: 0.7318 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 20 ASN A 668 GLN A 812 ASN A1290 ASN B 420 GLN B 673 GLN B1052 GLN ** B1290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 20 ASN ** C 801 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4130 r_free = 0.4130 target = 0.191511 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 44)----------------| | r_work = 0.3665 r_free = 0.3665 target = 0.147872 restraints weight = 39969.203| |-----------------------------------------------------------------------------| r_work (start): 0.3619 rms_B_bonded: 3.24 r_work: 0.3338 rms_B_bonded: 2.22 restraints_weight: 0.5000 r_work: 0.3219 rms_B_bonded: 3.51 restraints_weight: 0.2500 r_work (final): 0.3219 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7920 moved from start: 0.2220 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.039 33165 Z= 0.118 Angle : 0.503 10.725 45423 Z= 0.256 Chirality : 0.041 0.161 5673 Planarity : 0.003 0.085 5436 Dihedral : 5.981 59.861 8421 Min Nonbonded Distance : 2.106 Molprobity Statistics. All-atom Clashscore : 14.74 Ramachandran Plot: Outliers : 0.08 % Allowed : 2.60 % Favored : 97.32 % Rotamer: Outliers : 1.04 % Allowed : 9.33 % Favored : 89.63 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 0.47 (0.14), residues: 3729 helix: 2.65 (0.18), residues: 714 sheet: 0.37 (0.19), residues: 717 loop : -0.47 (0.13), residues: 2298 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.004 0.000 ARG C 871 TYR 0.018 0.001 TYR B1179 PHE 0.017 0.001 PHE B 258 TRP 0.008 0.001 TRP C 383 HIS 0.003 0.001 HIS C1187 Details of bonding type rmsd covalent geometry : bond 0.00241 (32892) covalent geometry : angle 0.47367 (44658) SS BOND : bond 0.00439 ( 54) SS BOND : angle 1.34234 ( 108) hydrogen bonds : bond 0.05138 ( 1159) hydrogen bonds : angle 5.14589 ( 3333) link_ALPHA1-3 : bond 0.00779 ( 15) link_ALPHA1-3 : angle 1.35699 ( 45) link_ALPHA1-6 : bond 0.00431 ( 24) link_ALPHA1-6 : angle 1.67627 ( 72) link_BETA1-4 : bond 0.00328 ( 81) link_BETA1-4 : angle 1.41645 ( 243) link_BETA1-6 : bond 0.00301 ( 21) link_BETA1-6 : angle 1.25405 ( 63) link_NAG-ASN : bond 0.00187 ( 78) link_NAG-ASN : angle 1.35018 ( 234) *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Evaluate side-chains 372 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 34 poor density : 338 time to evaluate : 1.042 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 22 TYR cc_start: 0.7893 (m-80) cc_final: 0.7184 (m-80) REVERT: A 217 MET cc_start: 0.3715 (mmt) cc_final: 0.2834 (pmm) REVERT: A 300 GLU cc_start: 0.7904 (pt0) cc_final: 0.7512 (pt0) REVERT: A 315 GLU cc_start: 0.8055 (mt-10) cc_final: 0.7502 (pm20) REVERT: A 532 GLU cc_start: 0.8468 (OUTLIER) cc_final: 0.8205 (mm-30) REVERT: A 1006 MET cc_start: 0.8856 (mmm) cc_final: 0.8597 (mmm) REVERT: A 1161 ARG cc_start: 0.8292 (OUTLIER) cc_final: 0.7355 (ttp-170) REVERT: B 20 ASN cc_start: 0.7469 (m110) cc_final: 0.7185 (m110) REVERT: B 22 TYR cc_start: 0.7789 (m-80) cc_final: 0.7061 (m-80) REVERT: B 144 GLU cc_start: 0.8056 (tt0) cc_final: 0.7803 (tt0) REVERT: B 315 GLU cc_start: 0.8235 (mt-10) cc_final: 0.7336 (pm20) REVERT: B 532 GLU cc_start: 0.8407 (OUTLIER) cc_final: 0.7905 (mt-10) REVERT: B 868 GLU cc_start: 0.7361 (mm-30) cc_final: 0.6974 (tm-30) REVERT: B 1006 MET cc_start: 0.9114 (mmm) cc_final: 0.8810 (mmm) REVERT: B 1250 GLU cc_start: 0.7707 (pm20) cc_final: 0.7433 (mp0) REVERT: C 248 LEU cc_start: 0.8692 (OUTLIER) cc_final: 0.8460 (pt) REVERT: C 300 GLU cc_start: 0.7897 (pt0) cc_final: 0.7664 (pt0) REVERT: C 315 GLU cc_start: 0.8092 (mt-10) cc_final: 0.7385 (pm20) REVERT: C 420 GLN cc_start: 0.8481 (mt0) cc_final: 0.8059 (mt0) REVERT: C 532 GLU cc_start: 0.8745 (OUTLIER) cc_final: 0.8458 (mt-10) REVERT: C 730 ARG cc_start: 0.7134 (OUTLIER) cc_final: 0.5969 (mtp180) REVERT: C 789 ASN cc_start: 0.8336 (m-40) cc_final: 0.8031 (m-40) REVERT: C 1258 ASN cc_start: 0.7699 (m110) cc_final: 0.7322 (p0) outliers start: 34 outliers final: 23 residues processed: 355 average time/residue: 0.8663 time to fit residues: 362.5561 Evaluate side-chains 361 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 29 poor density : 332 time to evaluate : 1.183 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 100 ASN Chi-restraints excluded: chain A residue 237 THR Chi-restraints excluded: chain A residue 288 ASN Chi-restraints excluded: chain A residue 525 GLU Chi-restraints excluded: chain A residue 532 GLU Chi-restraints excluded: chain A residue 750 GLN Chi-restraints excluded: chain A residue 982 VAL Chi-restraints excluded: chain A residue 1159 SER Chi-restraints excluded: chain A residue 1161 ARG Chi-restraints excluded: chain A residue 1244 THR Chi-restraints excluded: chain A residue 1261 VAL Chi-restraints excluded: chain B residue 100 ASN Chi-restraints excluded: chain B residue 525 GLU Chi-restraints excluded: chain B residue 532 GLU Chi-restraints excluded: chain B residue 674 GLU Chi-restraints excluded: chain B residue 898 SER Chi-restraints excluded: chain B residue 982 VAL Chi-restraints excluded: chain B residue 1175 THR Chi-restraints excluded: chain B residue 1261 VAL Chi-restraints excluded: chain C residue 100 ASN Chi-restraints excluded: chain C residue 217 MET Chi-restraints excluded: chain C residue 237 THR Chi-restraints excluded: chain C residue 248 LEU Chi-restraints excluded: chain C residue 288 ASN Chi-restraints excluded: chain C residue 532 GLU Chi-restraints excluded: chain C residue 730 ARG Chi-restraints excluded: chain C residue 898 SER Chi-restraints excluded: chain C residue 1159 SER Chi-restraints excluded: chain C residue 1261 VAL Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 375 random chunks: chunk 58 optimal weight: 2.9990 chunk 167 optimal weight: 0.2980 chunk 196 optimal weight: 5.9990 chunk 62 optimal weight: 2.9990 chunk 6 optimal weight: 6.9990 chunk 99 optimal weight: 2.9990 chunk 331 optimal weight: 2.9990 chunk 134 optimal weight: 8.9990 chunk 247 optimal weight: 3.9990 chunk 163 optimal weight: 0.7980 chunk 57 optimal weight: 0.9990 overall best weight: 1.6186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 20 ASN A 668 GLN A 812 ASN A1290 ASN B 420 GLN B 673 GLN B 750 GLN ** B1290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 20 ASN Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4101 r_free = 0.4101 target = 0.188623 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 45)----------------| | r_work = 0.3610 r_free = 0.3610 target = 0.143883 restraints weight = 39768.635| |-----------------------------------------------------------------------------| r_work (start): 0.3563 rms_B_bonded: 3.53 r_work: 0.3283 rms_B_bonded: 2.36 restraints_weight: 0.5000 r_work: 0.3165 rms_B_bonded: 3.68 restraints_weight: 0.2500 r_work (final): 0.3165 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8033 moved from start: 0.2382 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.058 33165 Z= 0.201 Angle : 0.605 11.703 45423 Z= 0.310 Chirality : 0.044 0.196 5673 Planarity : 0.004 0.080 5436 Dihedral : 6.251 59.417 8421 Min Nonbonded Distance : 2.274 Molprobity Statistics. All-atom Clashscore : 14.30 Ramachandran Plot: Outliers : 0.08 % Allowed : 3.03 % Favored : 96.89 % Rotamer: Outliers : 1.47 % Allowed : 8.78 % Favored : 89.75 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: 0.08 (0.13), residues: 3729 helix: 1.94 (0.18), residues: 750 sheet: 0.16 (0.18), residues: 726 loop : -0.64 (0.13), residues: 2253 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.006 0.001 ARG C 871 TYR 0.025 0.002 TYR B1179 PHE 0.020 0.002 PHE C1311 TRP 0.014 0.002 TRP C 383 HIS 0.006 0.001 HIS B1295 Details of bonding type rmsd covalent geometry : bond 0.00434 (32892) covalent geometry : angle 0.57673 (44658) SS BOND : bond 0.00713 ( 54) SS BOND : angle 1.48134 ( 108) hydrogen bonds : bond 0.06308 ( 1159) hydrogen bonds : angle 5.51299 ( 3333) link_ALPHA1-3 : bond 0.00759 ( 15) link_ALPHA1-3 : angle 1.36120 ( 45) link_ALPHA1-6 : bond 0.00407 ( 24) link_ALPHA1-6 : angle 1.74366 ( 72) link_BETA1-4 : bond 0.00344 ( 81) link_BETA1-4 : angle 1.50368 ( 243) link_BETA1-6 : bond 0.00285 ( 21) link_BETA1-6 : angle 1.31700 ( 63) link_NAG-ASN : bond 0.00262 ( 78) link_NAG-ASN : angle 1.53244 ( 234) *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Evaluate side-chains 391 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 48 poor density : 343 time to evaluate : 1.137 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 217 MET cc_start: 0.3634 (mmt) cc_final: 0.2938 (pmm) REVERT: A 300 GLU cc_start: 0.7948 (pt0) cc_final: 0.7549 (pt0) REVERT: A 315 GLU cc_start: 0.8179 (mt-10) cc_final: 0.7605 (pm20) REVERT: A 385 ASP cc_start: 0.6926 (m-30) cc_final: 0.6652 (m-30) REVERT: A 532 GLU cc_start: 0.8649 (OUTLIER) cc_final: 0.8364 (mm-30) REVERT: A 975 LYS cc_start: 0.7381 (mttp) cc_final: 0.6481 (pttm) REVERT: A 1161 ARG cc_start: 0.8399 (OUTLIER) cc_final: 0.7406 (ttp-170) REVERT: B 22 TYR cc_start: 0.7959 (m-80) cc_final: 0.7405 (m-80) REVERT: B 74 MET cc_start: 0.6723 (OUTLIER) cc_final: 0.6331 (ttt) REVERT: B 315 GLU cc_start: 0.8326 (mt-10) cc_final: 0.7431 (pm20) REVERT: B 532 GLU cc_start: 0.8553 (OUTLIER) cc_final: 0.8042 (mt-10) REVERT: B 657 GLN cc_start: 0.8372 (OUTLIER) cc_final: 0.8081 (tm130) REVERT: B 868 GLU cc_start: 0.7601 (mm-30) cc_final: 0.7215 (tm-30) REVERT: B 948 ASP cc_start: 0.7705 (OUTLIER) cc_final: 0.7209 (t0) REVERT: B 987 CYS cc_start: 0.8218 (t) cc_final: 0.7855 (t) REVERT: B 1006 MET cc_start: 0.9159 (mmm) cc_final: 0.8872 (mmm) REVERT: B 1161 ARG cc_start: 0.8169 (OUTLIER) cc_final: 0.7361 (ttp-170) REVERT: C 248 LEU cc_start: 0.8787 (pp) cc_final: 0.8523 (pt) REVERT: C 300 GLU cc_start: 0.7917 (pt0) cc_final: 0.7685 (pt0) REVERT: C 315 GLU cc_start: 0.8211 (mt-10) cc_final: 0.7560 (pm20) REVERT: C 334 ASP cc_start: 0.6513 (p0) cc_final: 0.6163 (p0) REVERT: C 420 GLN cc_start: 0.8602 (mt0) cc_final: 0.8233 (mt0) REVERT: C 532 GLU cc_start: 0.8835 (OUTLIER) cc_final: 0.8548 (mt-10) REVERT: C 730 ARG cc_start: 0.7240 (OUTLIER) cc_final: 0.6172 (mtp180) REVERT: C 789 ASN cc_start: 0.8471 (m-40) cc_final: 0.8200 (m-40) REVERT: C 885 MET cc_start: 0.8994 (OUTLIER) cc_final: 0.8732 (mtt) REVERT: C 1258 ASN cc_start: 0.7770 (m110) cc_final: 0.7438 (p0) outliers start: 48 outliers final: 27 residues processed: 364 average time/residue: 0.8644 time to fit residues: 370.5316 Evaluate side-chains 379 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 37 poor density : 342 time to evaluate : 1.375 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 100 ASN Chi-restraints excluded: chain A residue 211 ARG Chi-restraints excluded: chain A residue 237 THR Chi-restraints excluded: chain A residue 288 ASN Chi-restraints excluded: chain A residue 525 GLU Chi-restraints excluded: chain A residue 532 GLU Chi-restraints excluded: chain A residue 982 VAL Chi-restraints excluded: chain A residue 1152 VAL Chi-restraints excluded: chain A residue 1153 GLU Chi-restraints excluded: chain A residue 1161 ARG Chi-restraints excluded: chain A residue 1244 THR Chi-restraints excluded: chain A residue 1261 VAL Chi-restraints excluded: chain B residue 10 MET Chi-restraints excluded: chain B residue 74 MET Chi-restraints excluded: chain B residue 100 ASN Chi-restraints excluded: chain B residue 525 GLU Chi-restraints excluded: chain B residue 532 GLU Chi-restraints excluded: chain B residue 657 GLN Chi-restraints excluded: chain B residue 674 GLU Chi-restraints excluded: chain B residue 898 SER Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 982 VAL Chi-restraints excluded: chain B residue 1082 SER Chi-restraints excluded: chain B residue 1118 GLU Chi-restraints excluded: chain B residue 1161 ARG Chi-restraints excluded: chain B residue 1175 THR Chi-restraints excluded: chain B residue 1261 VAL Chi-restraints excluded: chain B residue 1271 GLU Chi-restraints excluded: chain C residue 100 ASN Chi-restraints excluded: chain C residue 237 THR Chi-restraints excluded: chain C residue 525 GLU Chi-restraints excluded: chain C residue 532 GLU Chi-restraints excluded: chain C residue 730 ARG Chi-restraints excluded: chain C residue 885 MET Chi-restraints excluded: chain C residue 898 SER Chi-restraints excluded: chain C residue 1159 SER Chi-restraints excluded: chain C residue 1261 VAL Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 375 random chunks: chunk 347 optimal weight: 0.8980 chunk 116 optimal weight: 0.5980 chunk 78 optimal weight: 1.9990 chunk 310 optimal weight: 1.9990 chunk 61 optimal weight: 3.9990 chunk 374 optimal weight: 2.9990 chunk 338 optimal weight: 2.9990 chunk 369 optimal weight: 1.9990 chunk 139 optimal weight: 10.0000 chunk 157 optimal weight: 1.9990 chunk 228 optimal weight: 1.9990 overall best weight: 1.4986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 20 ASN A 668 GLN A 812 ASN A1290 ASN B 20 ASN B 28 GLN B 420 GLN B 673 GLN B 750 GLN ** B1290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 20 ASN C 28 GLN C 580 GLN Total number of N/Q/H flips: 12 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4104 r_free = 0.4104 target = 0.188877 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 43)----------------| | r_work = 0.3594 r_free = 0.3594 target = 0.143271 restraints weight = 39867.943| |-----------------------------------------------------------------------------| r_work (start): 0.3550 rms_B_bonded: 3.72 r_work: 0.3282 rms_B_bonded: 2.41 restraints_weight: 0.5000 r_work: 0.3164 rms_B_bonded: 3.76 restraints_weight: 0.2500 r_work (final): 0.3164 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8018 moved from start: 0.2465 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.056 33165 Z= 0.186 Angle : 0.582 11.252 45423 Z= 0.300 Chirality : 0.044 0.182 5673 Planarity : 0.004 0.075 5436 Dihedral : 6.233 59.240 8421 Min Nonbonded Distance : 2.295 Molprobity Statistics. All-atom Clashscore : 14.57 Ramachandran Plot: Outliers : 0.08 % Allowed : 2.68 % Favored : 97.24 % Rotamer: Outliers : 1.38 % Allowed : 8.93 % Favored : 89.69 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: -0.03 (0.13), residues: 3729 helix: 1.84 (0.18), residues: 750 sheet: 0.02 (0.18), residues: 726 loop : -0.69 (0.13), residues: 2253 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.006 0.001 ARG C 871 TYR 0.025 0.002 TYR B1179 PHE 0.020 0.002 PHE C1311 TRP 0.013 0.001 TRP C 383 HIS 0.005 0.001 HIS B1187 Details of bonding type rmsd covalent geometry : bond 0.00401 (32892) covalent geometry : angle 0.55423 (44658) SS BOND : bond 0.00651 ( 54) SS BOND : angle 1.40465 ( 108) hydrogen bonds : bond 0.06067 ( 1159) hydrogen bonds : angle 5.49473 ( 3333) link_ALPHA1-3 : bond 0.00746 ( 15) link_ALPHA1-3 : angle 1.32711 ( 45) link_ALPHA1-6 : bond 0.00423 ( 24) link_ALPHA1-6 : angle 1.71177 ( 72) link_BETA1-4 : bond 0.00341 ( 81) link_BETA1-4 : angle 1.48159 ( 243) link_BETA1-6 : bond 0.00275 ( 21) link_BETA1-6 : angle 1.30862 ( 63) link_NAG-ASN : bond 0.00246 ( 78) link_NAG-ASN : angle 1.52049 ( 234) *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Evaluate side-chains 388 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 45 poor density : 343 time to evaluate : 0.963 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 217 MET cc_start: 0.3970 (mmt) cc_final: 0.3297 (pmm) REVERT: A 300 GLU cc_start: 0.7940 (pt0) cc_final: 0.7544 (pt0) REVERT: A 315 GLU cc_start: 0.8132 (mt-10) cc_final: 0.7498 (pm20) REVERT: A 385 ASP cc_start: 0.6918 (m-30) cc_final: 0.6641 (m-30) REVERT: A 532 GLU cc_start: 0.8622 (OUTLIER) cc_final: 0.8369 (mm-30) REVERT: A 975 LYS cc_start: 0.7366 (mttp) cc_final: 0.6474 (pttm) REVERT: A 1153 GLU cc_start: 0.7824 (OUTLIER) cc_final: 0.7515 (tt0) REVERT: A 1161 ARG cc_start: 0.8395 (OUTLIER) cc_final: 0.7306 (ttp-170) REVERT: B 22 TYR cc_start: 0.7948 (m-80) cc_final: 0.7276 (m-80) REVERT: B 74 MET cc_start: 0.6720 (OUTLIER) cc_final: 0.6394 (ttt) REVERT: B 315 GLU cc_start: 0.8264 (mt-10) cc_final: 0.7375 (pm20) REVERT: B 532 GLU cc_start: 0.8573 (OUTLIER) cc_final: 0.8094 (mt-10) REVERT: B 657 GLN cc_start: 0.8391 (OUTLIER) cc_final: 0.8119 (tm130) REVERT: B 750 GLN cc_start: 0.8247 (OUTLIER) cc_final: 0.7549 (mp-120) REVERT: B 868 GLU cc_start: 0.7582 (mm-30) cc_final: 0.7185 (tm-30) REVERT: B 948 ASP cc_start: 0.7702 (OUTLIER) cc_final: 0.7194 (t0) REVERT: B 1006 MET cc_start: 0.9171 (mmm) cc_final: 0.8877 (mmm) REVERT: B 1153 GLU cc_start: 0.7496 (OUTLIER) cc_final: 0.7211 (tt0) REVERT: C 248 LEU cc_start: 0.8793 (pp) cc_final: 0.8534 (pt) REVERT: C 300 GLU cc_start: 0.7912 (pt0) cc_final: 0.7677 (pt0) REVERT: C 315 GLU cc_start: 0.8178 (mt-10) cc_final: 0.7525 (pm20) REVERT: C 334 ASP cc_start: 0.6448 (p0) cc_final: 0.6116 (p0) REVERT: C 420 GLN cc_start: 0.8607 (mt0) cc_final: 0.8239 (mt0) REVERT: C 532 GLU cc_start: 0.8827 (OUTLIER) cc_final: 0.8556 (mt-10) REVERT: C 730 ARG cc_start: 0.7232 (OUTLIER) cc_final: 0.6255 (mtp180) REVERT: C 752 THR cc_start: 0.8376 (t) cc_final: 0.8133 (p) REVERT: C 789 ASN cc_start: 0.8404 (m-40) cc_final: 0.8162 (m-40) REVERT: C 885 MET cc_start: 0.8992 (OUTLIER) cc_final: 0.8726 (mtt) REVERT: C 1250 GLU cc_start: 0.8112 (mp0) cc_final: 0.7846 (mp0) REVERT: C 1258 ASN cc_start: 0.7754 (m110) cc_final: 0.7404 (p0) outliers start: 45 outliers final: 27 residues processed: 364 average time/residue: 0.8594 time to fit residues: 369.3607 Evaluate side-chains 377 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 39 poor density : 338 time to evaluate : 1.194 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 100 ASN Chi-restraints excluded: chain A residue 237 THR Chi-restraints excluded: chain A residue 288 ASN Chi-restraints excluded: chain A residue 525 GLU Chi-restraints excluded: chain A residue 532 GLU Chi-restraints excluded: chain A residue 982 VAL Chi-restraints excluded: chain A residue 1153 GLU Chi-restraints excluded: chain A residue 1159 SER Chi-restraints excluded: chain A residue 1161 ARG Chi-restraints excluded: chain A residue 1244 THR Chi-restraints excluded: chain A residue 1261 VAL Chi-restraints excluded: chain B residue 10 MET Chi-restraints excluded: chain B residue 74 MET Chi-restraints excluded: chain B residue 100 ASN Chi-restraints excluded: chain B residue 525 GLU Chi-restraints excluded: chain B residue 532 GLU Chi-restraints excluded: chain B residue 657 GLN Chi-restraints excluded: chain B residue 674 GLU Chi-restraints excluded: chain B residue 750 GLN Chi-restraints excluded: chain B residue 898 SER Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 982 VAL Chi-restraints excluded: chain B residue 1082 SER Chi-restraints excluded: chain B residue 1118 GLU Chi-restraints excluded: chain B residue 1153 GLU Chi-restraints excluded: chain B residue 1175 THR Chi-restraints excluded: chain B residue 1261 VAL Chi-restraints excluded: chain B residue 1271 GLU Chi-restraints excluded: chain C residue 100 ASN Chi-restraints excluded: chain C residue 217 MET Chi-restraints excluded: chain C residue 237 THR Chi-restraints excluded: chain C residue 525 GLU Chi-restraints excluded: chain C residue 532 GLU Chi-restraints excluded: chain C residue 730 ARG Chi-restraints excluded: chain C residue 885 MET Chi-restraints excluded: chain C residue 898 SER Chi-restraints excluded: chain C residue 1050 GLU Chi-restraints excluded: chain C residue 1159 SER Chi-restraints excluded: chain C residue 1261 VAL Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 375 random chunks: chunk 78 optimal weight: 1.9990 chunk 188 optimal weight: 4.9990 chunk 346 optimal weight: 0.8980 chunk 21 optimal weight: 9.9990 chunk 64 optimal weight: 3.9990 chunk 73 optimal weight: 0.9980 chunk 183 optimal weight: 0.6980 chunk 366 optimal weight: 0.8980 chunk 79 optimal weight: 0.8980 chunk 17 optimal weight: 9.9990 chunk 331 optimal weight: 0.6980 overall best weight: 0.8180 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 20 ASN A 668 GLN A 812 ASN A1290 ASN B 420 GLN B 673 GLN B 750 GLN ** B1290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 20 ASN C 750 GLN Total number of N/Q/H flips: 9 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4106 r_free = 0.4106 target = 0.189078 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 41)----------------| | r_work = 0.3605 r_free = 0.3605 target = 0.143983 restraints weight = 39804.240| |-----------------------------------------------------------------------------| r_work (start): 0.3562 rms_B_bonded: 3.60 r_work: 0.3295 rms_B_bonded: 2.32 restraints_weight: 0.5000 r_work: 0.3177 rms_B_bonded: 3.62 restraints_weight: 0.2500 r_work (final): 0.3177 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8012 moved from start: 0.2466 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.174 33165 Z= 0.173 Angle : 0.680 59.196 45423 Z= 0.370 Chirality : 0.043 0.175 5673 Planarity : 0.004 0.074 5436 Dihedral : 6.226 59.276 8421 Min Nonbonded Distance : 2.089 Molprobity Statistics. All-atom Clashscore : 15.03 Ramachandran Plot: Outliers : 0.08 % Allowed : 2.79 % Favored : 97.13 % Rotamer: Outliers : 1.32 % Allowed : 9.18 % Favored : 89.50 % Cbeta Deviations : 0.03 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: -0.04 (0.13), residues: 3729 helix: 1.84 (0.18), residues: 750 sheet: 0.01 (0.18), residues: 726 loop : -0.69 (0.13), residues: 2253 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.004 0.000 ARG C 871 TYR 0.024 0.002 TYR B1179 PHE 0.020 0.002 PHE C1311 TRP 0.012 0.001 TRP C 383 HIS 0.004 0.001 HIS A1295 Details of bonding type rmsd covalent geometry : bond 0.00366 (32892) covalent geometry : angle 0.65746 (44658) SS BOND : bond 0.00536 ( 54) SS BOND : angle 1.38313 ( 108) hydrogen bonds : bond 0.05989 ( 1159) hydrogen bonds : angle 5.48938 ( 3333) link_ALPHA1-3 : bond 0.00764 ( 15) link_ALPHA1-3 : angle 1.34309 ( 45) link_ALPHA1-6 : bond 0.00488 ( 24) link_ALPHA1-6 : angle 1.72095 ( 72) link_BETA1-4 : bond 0.00345 ( 81) link_BETA1-4 : angle 1.48958 ( 243) link_BETA1-6 : bond 0.00337 ( 21) link_BETA1-6 : angle 1.35468 ( 63) link_NAG-ASN : bond 0.00232 ( 78) link_NAG-ASN : angle 1.53469 ( 234) ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 7458 Ramachandran restraints generated. 3729 Oldfield, 0 Emsley, 3729 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Residue LEU 5 is missing expected H atoms. Skipping. Residue ALA 8 is missing expected H atoms. Skipping. Residue MET 10 is missing expected H atoms. Skipping. Residue LEU 15 is missing expected H atoms. Skipping. Residue LEU 16 is missing expected H atoms. Skipping. Residue THR 21 is missing expected H atoms. Skipping. Residue THR 23 is missing expected H atoms. Skipping. Residue VAL 24 is missing expected H atoms. Skipping. Residue ALA 25 is missing expected H atoms. Skipping. Residue ALA 26 is missing expected H atoms. Skipping. Residue ALA 31 is missing expected H atoms. Skipping. Residue ILE 32 is missing expected H atoms. Skipping. Residue LEU 33 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue THR 42 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ILE 44 is missing expected H atoms. Skipping. Residue THR 45 is missing expected H atoms. Skipping. Residue THR 48 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue ALA 52 is missing expected H atoms. Skipping. Residue THR 53 is missing expected H atoms. Skipping. Residue LEU 55 is missing expected H atoms. Skipping. Residue THR 65 is missing expected H atoms. Skipping. Residue LEU 66 is missing expected H atoms. Skipping. Residue VAL 70 is missing expected H atoms. Skipping. Residue ILE 72 is missing expected H atoms. Skipping. Residue THR 73 is missing expected H atoms. Skipping. Residue MET 74 is missing expected H atoms. Skipping. Residue VAL 75 is missing expected H atoms. Skipping. Residue ILE 80 is missing expected H atoms. Skipping. Residue THR 84 is missing expected H atoms. Skipping. Residue THR 102 is missing expected H atoms. Skipping. Residue VAL 104 is missing expected H atoms. Skipping. Residue THR 105 is missing expected H atoms. Skipping. Residue ILE 116 is missing expected H atoms. Skipping. Residue VAL 119 is missing expected H atoms. Skipping. Residue MET 120 is missing expected H atoms. Skipping. Residue VAL 121 is missing expected H atoms. Skipping. Residue ALA 122 is missing expected H atoms. Skipping. Residue LEU 125 is missing expected H atoms. Skipping. Residue LEU 128 is missing expected H atoms. Skipping. Residue ALA 130 is missing expected H atoms. Skipping. Residue VAL 131 is missing expected H atoms. Skipping. Residue ILE 132 is missing expected H atoms. Skipping. Residue ILE 133 is missing expected H atoms. Skipping. Residue VAL 138 is missing expected H atoms. Skipping. Residue MET 145 is missing expected H atoms. Skipping. Residue MET 167 is missing expected H atoms. Skipping. Residue LEU 169 is missing expected H atoms. Skipping. Residue ILE 173 is missing expected H atoms. Skipping. Residue THR 174 is missing expected H atoms. Skipping. Residue VAL 175 is missing expected H atoms. Skipping. Residue ILE 176 is missing expected H atoms. Skipping. Residue LEU 178 is missing expected H atoms. Skipping. Residue ALA 179 is missing expected H atoms. Skipping. Residue LEU 184 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue THR 202 is missing expected H atoms. Skipping. Residue VAL 203 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue LEU 208 is missing expected H atoms. Skipping. Residue ILE 212 is missing expected H atoms. Skipping. Residue LEU 215 is missing expected H atoms. Skipping. Residue MET 217 is missing expected H atoms. Skipping. Residue THR 218 is missing expected H atoms. Skipping. Residue ALA 220 is missing expected H atoms. Skipping. Residue LEU 222 is missing expected H atoms. Skipping. Residue LEU 225 is missing expected H atoms. Skipping. Residue THR 226 is missing expected H atoms. Skipping. Residue VAL 228 is missing expected H atoms. Skipping. Residue THR 230 is missing expected H atoms. Skipping. Residue ALA 234 is missing expected H atoms. Skipping. Residue THR 237 is missing expected H atoms. Skipping. Residue ALA 238 is missing expected H atoms. Skipping. Residue LEU 240 is missing expected H atoms. Skipping. Residue VAL 241 is missing expected H atoms. Skipping. Residue ALA 244 is missing expected H atoms. Skipping. Residue ALA 246 is missing expected H atoms. Skipping. Residue ALA 247 is missing expected H atoms. Skipping. Residue LEU 248 is missing expected H atoms. Skipping. Residue ILE 249 is missing expected H atoms. Skipping. Residue ALA 250 is missing expected H atoms. Skipping. Residue ALA 253 is missing expected H atoms. Skipping. Residue ILE 257 is missing expected H atoms. Skipping. Residue THR 259 is missing expected H atoms. Skipping. Residue VAL 261 is missing expected H atoms. Skipping. Residue ILE 277 is missing expected H atoms. Skipping. Residue VAL 281 is missing expected H atoms. Skipping. Residue VAL 286 is missing expected H atoms. Skipping. Residue ALA 293 is missing expected H atoms. Skipping. Residue LEU 294 is missing expected H atoms. Skipping. Residue VAL 296 is missing expected H atoms. Skipping. Residue ILE 304 is missing expected H atoms. Skipping. Residue ALA 306 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue THR 308 is missing expected H atoms. Skipping. Residue ILE 309 is missing expected H atoms. Skipping. Residue ILE 310 is missing expected H atoms. Skipping. Residue LEU 313 is missing expected H atoms. Skipping. Residue THR 316 is missing expected H atoms. Skipping. Residue THR 318 is missing expected H atoms. Skipping. Residue LEU 320 is missing expected H atoms. Skipping. Residue LEU 322 is missing expected H atoms. Skipping. Residue THR 328 is missing expected H atoms. Skipping. Residue VAL 330 is missing expected H atoms. Skipping. Residue ALA 336 is missing expected H atoms. Skipping. Residue ILE 337 is missing expected H atoms. Skipping. Residue ILE 338 is missing expected H atoms. Skipping. Residue LEU 341 is missing expected H atoms. Skipping. Residue ILE 342 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 ILE 354 is missing expected H atoms. Skipping. Residue VAL 355 is missing expected H atoms. Skipping. Residue ILE 356 is missing expected H atoms. Skipping. Residue ALA 366 is missing expected H atoms. Skipping. Residue THR 367 is missing expected H atoms. Skipping. Residue ILE 369 is missing expected H atoms. Skipping. Residue THR 371 is missing expected H atoms. Skipping. Residue THR 372 is missing expected H atoms. Skipping. Residue ILE 373 is missing expected H atoms. Skipping. Residue THR 375 is missing expected H atoms. Skipping. Residue VAL 376 is missing expected H atoms. Skipping. Residue THR 378 is missing expected H atoms. Skipping. Residue THR 379 is missing expected H atoms. Skipping. Residue THR 380 is missing expected H atoms. Skipping. Residue LEU 386 is missing expected H atoms. Skipping. Residue LEU 389 is missing expected H atoms. Skipping. Residue MET 391 is missing expected H atoms. Skipping. Residue VAL 394 is missing expected H atoms. Skipping. Residue LEU 400 is missing expected H atoms. Skipping. Residue VAL 403 is missing expected H atoms. Skipping. Residue MET 404 is missing expected H atoms. Skipping. Residue VAL 406 is missing expected H atoms. Skipping. Residue LEU 408 is missing expected H atoms. Skipping. Residue MET 410 is missing expected H atoms. Skipping. Residue VAL 411 is missing expected H atoms. Skipping. Residue ALA 413 is missing expected H atoms. Skipping. Residue ILE 415 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue LEU 423 is missing expected H atoms. Skipping. Residue ALA 424 is missing expected H atoms. Skipping. Residue ILE 425 is missing expected H atoms. Skipping. Residue VAL 430 is missing expected H atoms. Skipping. Residue ALA 432 is missing expected H atoms. Skipping. Residue LEU 433 is missing expected H atoms. Skipping. Residue ILE 434 is missing expected H atoms. Skipping. Residue ALA 435 is missing expected H atoms. Skipping. Residue ILE 443 is missing expected H atoms. Skipping. Residue VAL 444 is missing expected H atoms. Skipping. Residue ALA 445 is missing expected H atoms. Skipping. Residue MET 446 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 451 is missing expected H atoms. Skipping. Residue THR 453 is missing expected H atoms. Skipping. Residue LEU 454 is missing expected H atoms. Skipping. Residue THR 457 is missing expected H atoms. Skipping. Residue THR 458 is missing expected H atoms. Skipping. Residue ALA 459 is missing expected H atoms. Skipping. Residue LEU 460 is missing expected H atoms. Skipping. Residue VAL 461 is missing expected H atoms. Skipping. Residue THR 462 is missing expected H atoms. Skipping. Residue VAL 468 is missing expected H atoms. Skipping. Residue VAL 471 is missing expected H atoms. Skipping. Residue ILE 472 is missing expected H atoms. Skipping. Residue LEU 483 is missing expected H atoms. Skipping. Residue LEU 487 is missing expected H atoms. Skipping. Residue THR 489 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue VAL 492 is missing expected H atoms. Skipping. Residue VAL 499 is missing expected H atoms. Skipping. Residue ILE 501 is missing expected H atoms. Skipping. Residue THR 503 is missing expected H atoms. Skipping. Residue ALA 506 is missing expected H atoms. Skipping. Residue THR 510 is missing expected H atoms. Skipping. Residue THR 511 is missing expected H atoms. Skipping. Residue ILE 513 is missing expected H atoms. Skipping. Residue VAL 515 is missing expected H atoms. Skipping. Residue ALA 517 is missing expected H atoms. Skipping. Residue THR 518 is missing expected H atoms. Skipping. Residue LEU 519 is missing expected H atoms. Skipping. Residue ALA 520 is missing expected H atoms. Skipping. Residue LEU 522 is missing expected H atoms. Skipping. Residue THR 523 is missing expected H atoms. Skipping. Residue LEU 524 is missing expected H atoms. Skipping. Residue VAL 526 is missing expected H atoms. Skipping. Residue VAL 528 is missing expected H atoms. Skipping. Residue ALA 536 is missing expected H atoms. Skipping. Residue VAL 538 is missing expected H atoms. Skipping. Residue ILE 539 is missing expected H atoms. Skipping. Residue VAL 545 is missing expected H atoms. Skipping. Residue THR 547 is missing expected H atoms. Skipping. Residue ILE 552 is missing expected H atoms. Skipping. Residue ALA 560 is missing expected H atoms. Skipping. Residue ILE 564 is missing expected H atoms. Skipping. Residue ALA 568 is missing expected H atoms. Skipping. Residue ALA 569 is missing expected H atoms. Skipping. Residue ALA 571 is missing expected H atoms. Skipping. Residue ALA 572 is missing expected H atoms. Skipping. Residue VAL 577 is missing expected H atoms. Skipping. Residue LEU 578 is missing expected H atoms. Skipping. Residue ILE 581 is missing expected H atoms. Skipping. Residue VAL 586 is missing expected H atoms. Skipping. Residue MET 589 is missing expected H atoms. Skipping. Residue ALA 598 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue LEU 606 is missing expected H atoms. Skipping. Residue THR 607 is missing expected H atoms. Skipping. Residue ILE 611 is missing expected H atoms. Skipping. Residue VAL 615 is missing expected H atoms. Skipping. Residue ALA 625 is missing expected H atoms. Skipping. Residue VAL 635 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue LEU 651 is missing expected H atoms. Skipping. Residue ILE 654 is missing expected H atoms. Skipping. Residue THR 660 is missing expected H atoms. Skipping. Residue LEU 661 is missing expected H atoms. Skipping. Residue LEU 666 is missing expected H atoms. Skipping. Residue VAL 667 is missing expected H atoms. Skipping. Residue ILE 671 is missing expected H atoms. Skipping. Residue ILE 672 is missing expected H atoms. Skipping. Residue ILE 681 is missing expected H atoms. Skipping. Residue THR 687 is missing expected H atoms. Skipping. Residue VAL 689 is missing expected H atoms. Skipping. Residue VAL 690 is missing expected H atoms. Skipping. Residue LEU 699 is missing expected H atoms. Skipping. Residue THR 701 is missing expected H atoms. Skipping. Residue LEU 704 is missing expected H atoms. Skipping. Residue ILE 705 is missing expected H atoms. Skipping. Residue MET 706 is missing expected H atoms. Skipping. Residue LEU 707 is missing expected H atoms. Skipping. Residue LEU 715 is missing expected H atoms. Skipping. Residue ALA 721 is missing expected H atoms. Skipping. Residue LEU 722 is missing expected H atoms. Skipping. Residue VAL 725 is missing expected H atoms. Skipping. Residue THR 726 is missing expected H atoms. Skipping. Residue THR 729 is missing expected H atoms. Skipping. Residue VAL 732 is missing expected H atoms. Skipping. Residue ALA 733 is missing expected H atoms. Skipping. Residue LEU 735 is missing expected H atoms. Skipping. Residue ALA 736 is missing expected H atoms. Skipping. Residue VAL 737 is missing expected H atoms. Skipping. Residue ALA 738 is missing expected H atoms. Skipping. Residue ALA 742 is missing expected H atoms. Skipping. Residue ILE 743 is missing expected H atoms. Skipping. Residue LEU 747 is missing expected H atoms. Skipping. Residue VAL 751 is missing expected H atoms. Skipping. Residue THR 752 is missing expected H atoms. Skipping. Residue ILE 753 is missing expected H atoms. Skipping. Residue VAL 756 is missing expected H atoms. Skipping. Residue ALA 758 is missing expected H atoms. Skipping. Residue THR 760 is missing expected H atoms. Skipping. Residue THR 764 is missing expected H atoms. Skipping. Residue THR 765 is missing expected H atoms. Skipping. Residue ALA 767 is missing expected H atoms. Skipping. Residue VAL 786 is missing expected H atoms. Skipping. Residue THR 787 is missing expected H atoms. Skipping. Residue ILE 788 is missing expected H atoms. Skipping. Residue VAL 790 is missing expected H atoms. Skipping. Residue LEU 795 is missing expected H atoms. Skipping. Residue MET 796 is missing expected H atoms. Skipping. Residue MET 797 is missing expected H atoms. Skipping. Residue ILE 803 is missing expected H atoms. Skipping. Residue ILE 805 is missing expected H atoms. Skipping. Residue MET 810 is missing expected H atoms. Skipping. Residue VAL 811 is missing expected H atoms. Skipping. Residue ALA 815 is missing expected H atoms. Skipping. Residue ILE 816 is missing expected H atoms. Skipping. Residue THR 817 is missing expected H atoms. Skipping. Residue THR 821 is missing expected H atoms. Skipping. Residue LEU 826 is missing expected H atoms. Skipping. Residue LEU 827 is missing expected H atoms. Skipping. Residue VAL 829 is missing expected H atoms. Skipping. Residue VAL 833 is missing expected H atoms. Skipping. Residue LEU 835 is missing expected H atoms. Skipping. Residue THR 838 is missing expected H atoms. Skipping. Residue LEU 839 is missing expected H atoms. Skipping. Residue MET 840 is missing expected H atoms. Skipping. Residue LEU 841 is missing expected H atoms. Skipping. Residue THR 843 is missing expected H atoms. Skipping. Residue THR 844 is missing expected H atoms. Skipping. Residue THR 845 is missing expected H atoms. Skipping. Residue ILE 848 is missing expected H atoms. Skipping. Residue THR 850 is missing expected H atoms. Skipping. Residue ILE 855 is missing expected H atoms. Skipping. Residue VAL 856 is missing expected H atoms. Skipping. Residue ILE 857 is missing expected H atoms. Skipping. Residue THR 860 is missing expected H atoms. Skipping. Residue VAL 863 is missing expected H atoms. Skipping. Residue ILE 873 is missing expected H atoms. Skipping. Residue LEU 874 is missing expected H atoms. Skipping. Residue VAL 875 is missing expected H atoms. Skipping. Residue ILE 884 is missing expected H atoms. Skipping. Residue MET 885 is missing expected H atoms. Skipping. Residue LEU 887 is missing expected H atoms. Skipping. Residue LEU 888 is missing expected H atoms. Skipping. Residue VAL 891 is missing expected H atoms. Skipping. Residue MET 893 is missing expected H atoms. Skipping. Residue ALA 894 is missing expected H atoms. Skipping. Residue VAL 897 is missing expected H atoms. Skipping. Residue VAL 899 is missing expected H atoms. Skipping. Residue THR 900 is missing expected H atoms. Skipping. Residue LEU 903 is missing expected H atoms. Skipping. Residue ILE 912 is missing expected H atoms. Skipping. Residue VAL 914 is missing expected H atoms. Skipping. Residue LEU 916 is missing expected H atoms. Skipping. Residue LEU 919 is missing expected H atoms. Skipping. Residue ALA 921 is missing expected H atoms. Skipping. Residue LEU 935 is missing expected H atoms. Skipping. Residue ALA 949 is missing expected H atoms. Skipping. Residue THR 952 is missing expected H atoms. Skipping. Residue ILE 953 is missing expected H atoms. Skipping. Residue ILE 956 is missing expected H atoms. Skipping. Residue LEU 957 is missing expected H atoms. Skipping. Residue VAL 961 is missing expected H atoms. Skipping. Residue THR 962 is missing expected H atoms. Skipping. Residue THR 963 is missing expected H atoms. Skipping. Residue VAL 964 is missing expected H atoms. Skipping. Residue LEU 966 is missing expected H atoms. Skipping. Residue THR 968 is missing expected H atoms. Skipping. Residue VAL 969 is missing expected H atoms. Skipping. Residue ALA 971 is missing expected H atoms. Skipping. Residue THR 977 is missing expected H atoms. Skipping. Residue LEU 980 is missing expected H atoms. Skipping. Residue VAL 982 is missing expected H atoms. Skipping. Residue ALA 983 is missing expected H atoms. Skipping. Residue LEU 985 is missing expected H atoms. Skipping. Residue VAL 986 is missing expected H atoms. Skipping. Residue ALA 988 is missing expected H atoms. Skipping. Residue ILE 994 is missing expected H atoms. Skipping. Residue MET 995 is missing expected H atoms. Skipping. Residue VAL 996 is missing expected H atoms. Skipping. Residue LEU 997 is missing expected H atoms. Skipping. Residue VAL 1000 is missing expected H atoms. Skipping. Residue ALA 1001 is missing expected H atoms. Skipping. Residue ALA 1003 is missing expected H atoms. Skipping. Residue MET 1006 is missing expected H atoms. Skipping. Residue ALA 1007 is missing expected H atoms. Skipping. Residue MET 1008 is missing expected H atoms. Skipping. Residue THR 1010 is missing expected H atoms. Skipping. Residue ALA 1012 is missing expected H atoms. Skipping. Residue LEU 1013 is missing expected H atoms. Skipping. Residue VAL 1014 is missing expected H atoms. Skipping. Residue MET 1017 is missing expected H atoms. Skipping. Residue VAL 1018 is missing expected H atoms. Skipping. Residue LEU 1019 is missing expected H atoms. Skipping. Residue ILE 1022 is missing expected H atoms. Skipping. Residue THR 1023 is missing expected H atoms. Skipping. Residue ALA 1025 is missing expected H atoms. Skipping. Residue ALA 1026 is missing expected H atoms. Skipping. Residue ALA 1027 is missing expected H atoms. Skipping. Residue ILE 1028 is missing expected H atoms. Skipping. Residue ALA 1031 is missing expected H atoms. Skipping. Residue THR 1032 is missing expected H atoms. Skipping. Residue ILE 1034 is missing expected H atoms. Skipping. Residue ALA 1036 is missing expected H atoms. Skipping. Residue VAL 1038 is missing expected H atoms. Skipping. Residue LEU 1041 is missing expected H atoms. Skipping. Residue ALA 1042 is missing expected H atoms. Skipping. Residue LEU 1043 is missing expected H atoms. Skipping. Residue THR 1044 is missing expected H atoms. Skipping. Residue ALA 1047 is missing expected H atoms. Skipping. Residue ILE 1048 is missing expected H atoms. Skipping. Residue ILE 1054 is missing expected H atoms. Skipping. Residue ILE 1055 is missing expected H atoms. Skipping. Residue VAL 1056 is missing expected H atoms. Skipping. Residue ALA 1062 is missing expected H atoms. Skipping. Residue ILE 1063 is missing expected H atoms. Skipping. Residue MET 1066 is missing expected H atoms. Skipping. Residue THR 1067 is missing expected H atoms. Skipping. Residue ALA 1069 is missing expected H atoms. Skipping. Residue VAL 1073 is missing expected H atoms. Skipping. Residue ALA 1079 is missing expected H atoms. Skipping. Residue VAL 1080 is missing expected H atoms. Skipping. Residue ALA 1083 is missing expected H atoms. Skipping. Residue ILE 1084 is missing expected H atoms. Skipping. Residue THR 1085 is missing expected H atoms. Skipping. Residue VAL 1087 is missing expected H atoms. Skipping. Residue ALA 1090 is missing expected H atoms. Skipping. Residue VAL 1091 is missing expected H atoms. Skipping. Residue ALA 1093 is missing expected H atoms. Skipping. Residue ALA 1097 is missing expected H atoms. Skipping. Residue LEU 1098 is missing expected H atoms. Skipping. Residue THR 1099 is missing expected H atoms. Skipping. Residue LEU 1101 is missing expected H atoms. Skipping. Residue LEU 1102 is missing expected H atoms. Skipping. Residue LEU 1105 is missing expected H atoms. Skipping. Residue ALA 1111 is missing expected H atoms. Skipping. Residue THR 1112 is missing expected H atoms. Skipping. Residue THR 1113 is missing expected H atoms. Skipping. Residue ILE 1116 is missing expected H atoms. Skipping. Residue LEU 1119 is missing expected H atoms. Skipping. Residue LEU 1123 is missing expected H atoms. Skipping. Residue ALA 1124 is missing expected H atoms. Skipping. Residue ALA 1128 is missing expected H atoms. Skipping. Residue VAL 1130 is missing expected H atoms. Skipping. Residue VAL 1132 is missing expected H atoms. Skipping. Residue LEU 1135 is missing expected H atoms. Skipping. Residue ILE 1136 is missing expected H atoms. Skipping. Residue LEU 1140 is missing expected H atoms. Skipping. Residue THR 1141 is missing expected H atoms. Skipping. Residue ALA 1142 is missing expected H atoms. Skipping. Residue LEU 1143 is missing expected H atoms. Skipping. Residue ALA 1145 is missing expected H atoms. Skipping. Residue VAL 1147 is missing expected H atoms. Skipping. Residue ALA 1148 is missing expected H atoms. Skipping. Residue ALA 1149 is missing expected H atoms. Skipping. Residue VAL 1152 is missing expected H atoms. Skipping. Residue ALA 1154 is missing expected H atoms. Skipping. Residue ALA 1155 is missing expected H atoms. Skipping. Residue VAL 1157 is missing expected H atoms. Skipping. Residue ALA 1158 is missing expected H atoms. Skipping. Residue VAL 1162 is missing expected H atoms. Skipping. Residue LEU 1163 is missing expected H atoms. Skipping. Residue ALA 1164 is missing expected H atoms. Skipping. Residue ALA 1165 is missing expected H atoms. Skipping. Residue ILE 1168 is missing expected H atoms. Skipping. Residue VAL 1172 is missing expected H atoms. Skipping. Residue THR 1175 is missing expected H atoms. Skipping. Residue ALA 1186 is missing expected H atoms. Skipping. Residue ILE 1188 is missing expected H atoms. Skipping. Residue ILE 1189 is missing expected H atoms. Skipping. Residue ALA 1195 is missing expected H atoms. Skipping. Residue MET 1199 is missing expected H atoms. Skipping. Residue LEU 1200 is missing expected H atoms. Skipping. Residue VAL 1202 is missing expected H atoms. Skipping. Residue LEU 1206 is missing expected H atoms. Skipping. Residue VAL 1207 is missing expected H atoms. Skipping. Residue THR 1211 is missing expected H atoms. Skipping. Residue ILE 1212 is missing expected H atoms. Skipping. Residue THR 1213 is missing expected H atoms. Skipping. Residue VAL 1214 is missing expected H atoms. Skipping. Residue ILE 1217 is missing expected H atoms. Skipping. Residue ILE 1218 is missing expected H atoms. Skipping. Residue LEU 1220 is missing expected H atoms. Skipping. Residue LEU 1222 is missing expected H atoms. Skipping. Residue ILE 1226 is missing expected H atoms. Skipping. Residue ILE 1228 is missing expected H atoms. Skipping. Residue VAL 1229 is missing expected H atoms. Skipping. Residue ALA 1231 is missing expected H atoms. Skipping. Residue MET 1236 is missing expected H atoms. Skipping. Residue ILE 1238 is missing expected H atoms. Skipping. Residue THR 1244 is missing expected H atoms. Skipping. Residue VAL 1261 is missing expected H atoms. Skipping. Residue THR 1262 is missing expected H atoms. Skipping. Residue ALA 1266 is missing expected H atoms. Skipping. Residue ILE 1267 is missing expected H atoms. Skipping. Residue THR 1268 is missing expected H atoms. Skipping. Residue ILE 1278 is missing expected H atoms. Skipping. Residue THR 1279 is missing expected H atoms. Skipping. Residue THR 1280 is missing expected H atoms. Skipping. Residue ILE 1283 is missing expected H atoms. Skipping. Residue MET 1285 is missing expected H atoms. Skipping. Residue LEU 1286 is missing expected H atoms. Skipping. Residue THR 1287 is missing expected H atoms. Skipping. Residue THR 1294 is missing expected H atoms. Skipping. Residue ILE 1296 is missing expected H atoms. Skipping. Residue LEU 1301 is missing expected H atoms. Skipping. Residue LEU 1303 is missing expected H atoms. Skipping. Residue VAL 1304 is missing expected H atoms. Skipping. Residue ALA 1305 is missing expected H atoms. Skipping. Residue LEU 1318 is missing expected H atoms. Skipping. Residue THR 1325 is missing expected H atoms. Skipping. Residue LEU 1326 is missing expected H atoms. Skipping. Residue LEU 1329 is missing expected H atoms. Skipping. Evaluate side-chains 383 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 43 poor density : 340 time to evaluate : 1.191 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 217 MET cc_start: 0.3972 (mmt) cc_final: 0.3297 (pmm) REVERT: A 300 GLU cc_start: 0.7931 (pt0) cc_final: 0.7535 (pt0) REVERT: A 315 GLU cc_start: 0.8110 (mt-10) cc_final: 0.7512 (pm20) REVERT: A 385 ASP cc_start: 0.6951 (m-30) cc_final: 0.6676 (m-30) REVERT: A 532 GLU cc_start: 0.8598 (OUTLIER) cc_final: 0.8342 (mm-30) REVERT: A 975 LYS cc_start: 0.7368 (mttp) cc_final: 0.6493 (pttm) REVERT: A 1153 GLU cc_start: 0.7793 (OUTLIER) cc_final: 0.7474 (tt0) REVERT: A 1161 ARG cc_start: 0.8387 (OUTLIER) cc_final: 0.7291 (ttp-170) REVERT: B 22 TYR cc_start: 0.7926 (m-80) cc_final: 0.7252 (m-80) REVERT: B 74 MET cc_start: 0.6717 (OUTLIER) cc_final: 0.6390 (ttt) REVERT: B 315 GLU cc_start: 0.8242 (mt-10) cc_final: 0.7385 (pm20) REVERT: B 532 GLU cc_start: 0.8555 (OUTLIER) cc_final: 0.8072 (mt-10) REVERT: B 657 GLN cc_start: 0.8364 (OUTLIER) cc_final: 0.8091 (tm130) REVERT: B 868 GLU cc_start: 0.7566 (mm-30) cc_final: 0.7163 (tm-30) REVERT: B 948 ASP cc_start: 0.7685 (OUTLIER) cc_final: 0.7178 (t0) REVERT: B 1006 MET cc_start: 0.9161 (mmm) cc_final: 0.8863 (mmm) REVERT: B 1153 GLU cc_start: 0.7462 (OUTLIER) cc_final: 0.7185 (tt0) REVERT: C 248 LEU cc_start: 0.8790 (pp) cc_final: 0.8536 (pt) REVERT: C 300 GLU cc_start: 0.7909 (pt0) cc_final: 0.7674 (pt0) REVERT: C 315 GLU cc_start: 0.8153 (mt-10) cc_final: 0.7529 (pm20) REVERT: C 420 GLN cc_start: 0.8607 (mt0) cc_final: 0.8236 (mt0) REVERT: C 532 GLU cc_start: 0.8813 (OUTLIER) cc_final: 0.8538 (mt-10) REVERT: C 730 ARG cc_start: 0.7244 (OUTLIER) cc_final: 0.6275 (mtp180) REVERT: C 752 THR cc_start: 0.8380 (t) cc_final: 0.8136 (p) REVERT: C 789 ASN cc_start: 0.8420 (m-40) cc_final: 0.8165 (m-40) REVERT: C 885 MET cc_start: 0.8978 (OUTLIER) cc_final: 0.8709 (mtt) REVERT: C 1250 GLU cc_start: 0.8110 (mp0) cc_final: 0.7855 (mp0) REVERT: C 1258 ASN cc_start: 0.7735 (m110) cc_final: 0.7404 (p0) outliers start: 43 outliers final: 30 residues processed: 359 average time/residue: 0.8507 time to fit residues: 359.7224 Evaluate side-chains 379 residues out of total 3258 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 41 poor density : 338 time to evaluate : 1.133 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 100 ASN Chi-restraints excluded: chain A residue 237 THR Chi-restraints excluded: chain A residue 288 ASN Chi-restraints excluded: chain A residue 525 GLU Chi-restraints excluded: chain A residue 532 GLU Chi-restraints excluded: chain A residue 982 VAL Chi-restraints excluded: chain A residue 1153 GLU Chi-restraints excluded: chain A residue 1159 SER Chi-restraints excluded: chain A residue 1161 ARG Chi-restraints excluded: chain A residue 1244 THR Chi-restraints excluded: chain A residue 1261 VAL Chi-restraints excluded: chain B residue 10 MET Chi-restraints excluded: chain B residue 74 MET Chi-restraints excluded: chain B residue 100 ASN Chi-restraints excluded: chain B residue 525 GLU Chi-restraints excluded: chain B residue 532 GLU Chi-restraints excluded: chain B residue 657 GLN Chi-restraints excluded: chain B residue 674 GLU Chi-restraints excluded: chain B residue 898 SER Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 982 VAL Chi-restraints excluded: chain B residue 1082 SER Chi-restraints excluded: chain B residue 1118 GLU Chi-restraints excluded: chain B residue 1153 GLU Chi-restraints excluded: chain B residue 1175 THR Chi-restraints excluded: chain B residue 1261 VAL Chi-restraints excluded: chain B residue 1271 GLU Chi-restraints excluded: chain C residue 100 ASN Chi-restraints excluded: chain C residue 217 MET Chi-restraints excluded: chain C residue 237 THR Chi-restraints excluded: chain C residue 288 ASN Chi-restraints excluded: chain C residue 525 GLU Chi-restraints excluded: chain C residue 532 GLU Chi-restraints excluded: chain C residue 730 ARG Chi-restraints excluded: chain C residue 750 GLN Chi-restraints excluded: chain C residue 885 MET Chi-restraints excluded: chain C residue 898 SER Chi-restraints excluded: chain C residue 1050 GLU Chi-restraints excluded: chain C residue 1159 SER Chi-restraints excluded: chain C residue 1244 THR Chi-restraints excluded: chain C residue 1261 VAL Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 375 random chunks: chunk 35 optimal weight: 2.9990 chunk 162 optimal weight: 4.9990 chunk 32 optimal weight: 2.9990 chunk 95 optimal weight: 0.4980 chunk 220 optimal weight: 1.9990 chunk 364 optimal weight: 0.9990 chunk 181 optimal weight: 1.9990 chunk 186 optimal weight: 4.9990 chunk 374 optimal weight: 1.9990 chunk 58 optimal weight: 0.9990 chunk 371 optimal weight: 0.5980 overall best weight: 1.0186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 20 ASN A 668 GLN A 812 ASN A1290 ASN B 673 GLN B 750 GLN ** B1290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 20 ASN ** C 750 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4105 r_free = 0.4105 target = 0.189032 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 43)----------------| | r_work = 0.3619 r_free = 0.3619 target = 0.144325 restraints weight = 39844.023| |-----------------------------------------------------------------------------| r_work (start): 0.3578 rms_B_bonded: 3.34 r_work: 0.3290 rms_B_bonded: 2.39 restraints_weight: 0.5000 r_work: 0.3172 rms_B_bonded: 3.74 restraints_weight: 0.2500 r_work (final): 0.3172 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8044 moved from start: 0.2466 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.202 33165 Z= 0.185 Angle : 0.757 59.193 45423 Z= 0.435 Chirality : 0.043 0.329 5673 Planarity : 0.004 0.073 5436 Dihedral : 6.225 59.241 8421 Min Nonbonded Distance : 2.077 Molprobity Statistics. All-atom Clashscore : 15.07 Ramachandran Plot: Outliers : 0.08 % Allowed : 2.76 % Favored : 97.16 % Rotamer: Outliers : 1.35 % Allowed : 9.12 % Favored : 89.53 % Cbeta Deviations : 0.06 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they are not related in a simple way. whole: -0.04 (0.13), residues: 3729 helix: 1.84 (0.18), residues: 750 sheet: 0.00 (0.18), residues: 726 loop : -0.69 (0.13), residues: 2253 Max deviation from planes: Type MaxDev MeanDev LineInFile ARG 0.003 0.000 ARG C 871 TYR 0.024 0.002 TYR B1179 PHE 0.020 0.002 PHE C1311 TRP 0.011 0.001 TRP C 383 HIS 0.004 0.001 HIS A1295 Details of bonding type rmsd covalent geometry : bond 0.00383 (32892) covalent geometry : angle 0.73891 (44658) SS BOND : bond 0.00522 ( 54) SS BOND : angle 1.34958 ( 108) hydrogen bonds : bond 0.05986 ( 1159) hydrogen bonds : angle 5.48829 ( 3333) link_ALPHA1-3 : bond 0.00737 ( 15) link_ALPHA1-3 : angle 1.31833 ( 45) link_ALPHA1-6 : bond 0.00383 ( 24) link_ALPHA1-6 : angle 1.70075 ( 72) link_BETA1-4 : bond 0.00331 ( 81) link_BETA1-4 : angle 1.46714 ( 243) link_BETA1-6 : bond 0.00265 ( 21) link_BETA1-6 : angle 1.27447 ( 63) link_NAG-ASN : bond 0.00233 ( 78) link_NAG-ASN : angle 1.53142 ( 234) Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 19664.02 seconds wall clock time: 333 minutes 2.79 seconds (19982.79 seconds total)