Starting phenix.real_space_refine on Sun Mar 17 07:01:56 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvs_20915/03_2024/6uvs_20915.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvs_20915/03_2024/6uvs_20915.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.2 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvs_20915/03_2024/6uvs_20915.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvs_20915/03_2024/6uvs_20915.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvs_20915/03_2024/6uvs_20915.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvs_20915/03_2024/6uvs_20915.pdb" } resolution = 4.2 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= -0.000 sd= 0.005 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians C 6960 2.51 5 N 2136 2.21 5 O 1968 1.98 5 H 5976 0.53 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "A ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "K ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "K ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "L ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "L ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "B ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "H ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "H ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "C ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "I ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "I ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "D ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "D ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "J ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "J ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "E ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "E ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "F ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "F ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "G ARG 32": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Residue "G ARG 165": "NH1" <-> "NH2" "HH11" <-> "HH21" "HH12" <-> "HH22" Time to flip residues: 0.02s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 17040 Number of models: 1 Model: "" Number of chains: 12 Chain: "A" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Chain: "K" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Chain: "L" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Chain: "B" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Chain: "H" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Chain: "C" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Chain: "I" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Chain: "D" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Chain: "J" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Chain: "E" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Chain: "F" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Chain: "G" Number of atoms: 1420 Number of conformers: 1 Conformer: "" Number of residues, atoms: 160, 1420 Classifications: {'peptide': 160} Link IDs: {'PTRANS': 6, 'TRANS': 153} Chain breaks: 1 Unresolved non-hydrogen bonds: 387 Unresolved non-hydrogen angles: 502 Unresolved non-hydrogen dihedrals: 313 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 3, 'ARG:plan': 2, 'TYR:plan': 4, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 10, 'GLU:plan': 5, 'ASP:plan': 5} Unresolved non-hydrogen planarities: 174 Time building chain proxies: 8.70, per 1000 atoms: 0.51 Number of scatterers: 17040 At special positions: 0 Unit cell: (98.58, 90.1, 138.86, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) O 1968 8.00 N 2136 7.00 C 6960 6.00 H 5976 1.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 11.92 Conformation dependent library (CDL) restraints added in 2.8 seconds 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 3720 Finding SS restraints... Secondary structure from input PDB file: 72 helices and 12 sheets defined 70.6% alpha, 3.8% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 1.32 Creating SS restraints... Processing helix chain 'A' and resid 19 through 44 removed outlier: 4.307A pdb=" N ILE A 23 " --> pdb=" O SER A 19 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA A 39 " --> pdb=" O ILE A 35 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N LYS A 41 " --> pdb=" O VAL A 37 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N GLU A 42 " --> pdb=" O VAL A 38 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N TRP A 44 " --> pdb=" O ALA A 40 " (cutoff:3.500A) Processing helix chain 'A' and resid 45 through 47 No H-bonds generated for 'chain 'A' and resid 45 through 47' Processing helix chain 'A' and resid 59 through 69 Processing helix chain 'A' and resid 72 through 93 removed outlier: 3.563A pdb=" N LEU A 76 " --> pdb=" O SER A 72 " (cutoff:3.500A) Proline residue: A 87 - end of helix Processing helix chain 'A' and resid 136 through 158 removed outlier: 3.789A pdb=" N ILE A 140 " --> pdb=" O TYR A 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N GLU A 147 " --> pdb=" O ARG A 143 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N PHE A 154 " --> pdb=" O PHE A 150 " (cutoff:3.500A) Processing helix chain 'A' and resid 184 through 211 removed outlier: 3.538A pdb=" N PHE A 194 " --> pdb=" O VAL A 190 " (cutoff:3.500A) Processing helix chain 'K' and resid 19 through 44 removed outlier: 4.307A pdb=" N ILE K 23 " --> pdb=" O SER K 19 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA K 39 " --> pdb=" O ILE K 35 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N LYS K 41 " --> pdb=" O VAL K 37 " (cutoff:3.500A) removed outlier: 4.827A pdb=" N GLU K 42 " --> pdb=" O VAL K 38 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N TRP K 44 " --> pdb=" O ALA K 40 " (cutoff:3.500A) Processing helix chain 'K' and resid 45 through 47 No H-bonds generated for 'chain 'K' and resid 45 through 47' Processing helix chain 'K' and resid 59 through 69 Processing helix chain 'K' and resid 72 through 93 removed outlier: 3.564A pdb=" N LEU K 76 " --> pdb=" O SER K 72 " (cutoff:3.500A) Proline residue: K 87 - end of helix Processing helix chain 'K' and resid 136 through 158 removed outlier: 3.788A pdb=" N ILE K 140 " --> pdb=" O TYR K 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N GLU K 147 " --> pdb=" O ARG K 143 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N PHE K 154 " --> pdb=" O PHE K 150 " (cutoff:3.500A) Processing helix chain 'K' and resid 184 through 211 removed outlier: 3.538A pdb=" N PHE K 194 " --> pdb=" O VAL K 190 " (cutoff:3.500A) Processing helix chain 'L' and resid 19 through 44 removed outlier: 4.306A pdb=" N ILE L 23 " --> pdb=" O SER L 19 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ALA L 39 " --> pdb=" O ILE L 35 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N LYS L 41 " --> pdb=" O VAL L 37 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N GLU L 42 " --> pdb=" O VAL L 38 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N TRP L 44 " --> pdb=" O ALA L 40 " (cutoff:3.500A) Processing helix chain 'L' and resid 45 through 47 No H-bonds generated for 'chain 'L' and resid 45 through 47' Processing helix chain 'L' and resid 59 through 69 Processing helix chain 'L' and resid 72 through 93 removed outlier: 3.563A pdb=" N LEU L 76 " --> pdb=" O SER L 72 " (cutoff:3.500A) Proline residue: L 87 - end of helix Processing helix chain 'L' and resid 136 through 158 removed outlier: 3.789A pdb=" N ILE L 140 " --> pdb=" O TYR L 136 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N GLU L 147 " --> pdb=" O ARG L 143 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N PHE L 154 " --> pdb=" O PHE L 150 " (cutoff:3.500A) Processing helix chain 'L' and resid 184 through 211 removed outlier: 3.538A pdb=" N PHE L 194 " --> pdb=" O VAL L 190 " (cutoff:3.500A) Processing helix chain 'B' and resid 19 through 44 removed outlier: 4.307A pdb=" N ILE B 23 " --> pdb=" O SER B 19 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA B 39 " --> pdb=" O ILE B 35 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N LYS B 41 " --> pdb=" O VAL B 37 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N GLU B 42 " --> pdb=" O VAL B 38 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N TRP B 44 " --> pdb=" O ALA B 40 " (cutoff:3.500A) Processing helix chain 'B' and resid 45 through 47 No H-bonds generated for 'chain 'B' and resid 45 through 47' Processing helix chain 'B' and resid 59 through 69 Processing helix chain 'B' and resid 72 through 93 removed outlier: 3.564A pdb=" N LEU B 76 " --> pdb=" O SER B 72 " (cutoff:3.500A) Proline residue: B 87 - end of helix Processing helix chain 'B' and resid 136 through 158 removed outlier: 3.788A pdb=" N ILE B 140 " --> pdb=" O TYR B 136 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N GLU B 147 " --> pdb=" O ARG B 143 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N PHE B 154 " --> pdb=" O PHE B 150 " (cutoff:3.500A) Processing helix chain 'B' and resid 184 through 211 removed outlier: 3.538A pdb=" N PHE B 194 " --> pdb=" O VAL B 190 " (cutoff:3.500A) Processing helix chain 'H' and resid 19 through 44 removed outlier: 4.307A pdb=" N ILE H 23 " --> pdb=" O SER H 19 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA H 39 " --> pdb=" O ILE H 35 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N LYS H 41 " --> pdb=" O VAL H 37 " (cutoff:3.500A) removed outlier: 4.827A pdb=" N GLU H 42 " --> pdb=" O VAL H 38 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N TRP H 44 " --> pdb=" O ALA H 40 " (cutoff:3.500A) Processing helix chain 'H' and resid 45 through 47 No H-bonds generated for 'chain 'H' and resid 45 through 47' Processing helix chain 'H' and resid 59 through 69 Processing helix chain 'H' and resid 72 through 93 removed outlier: 3.563A pdb=" N LEU H 76 " --> pdb=" O SER H 72 " (cutoff:3.500A) Proline residue: H 87 - end of helix Processing helix chain 'H' and resid 136 through 158 removed outlier: 3.788A pdb=" N ILE H 140 " --> pdb=" O TYR H 136 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N GLU H 147 " --> pdb=" O ARG H 143 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N PHE H 154 " --> pdb=" O PHE H 150 " (cutoff:3.500A) Processing helix chain 'H' and resid 184 through 211 removed outlier: 3.537A pdb=" N PHE H 194 " --> pdb=" O VAL H 190 " (cutoff:3.500A) Processing helix chain 'C' and resid 19 through 44 removed outlier: 4.307A pdb=" N ILE C 23 " --> pdb=" O SER C 19 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA C 39 " --> pdb=" O ILE C 35 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N LYS C 41 " --> pdb=" O VAL C 37 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N GLU C 42 " --> pdb=" O VAL C 38 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N TRP C 44 " --> pdb=" O ALA C 40 " (cutoff:3.500A) Processing helix chain 'C' and resid 45 through 47 No H-bonds generated for 'chain 'C' and resid 45 through 47' Processing helix chain 'C' and resid 59 through 69 Processing helix chain 'C' and resid 72 through 93 removed outlier: 3.563A pdb=" N LEU C 76 " --> pdb=" O SER C 72 " (cutoff:3.500A) Proline residue: C 87 - end of helix Processing helix chain 'C' and resid 136 through 158 removed outlier: 3.788A pdb=" N ILE C 140 " --> pdb=" O TYR C 136 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N GLU C 147 " --> pdb=" O ARG C 143 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N PHE C 154 " --> pdb=" O PHE C 150 " (cutoff:3.500A) Processing helix chain 'C' and resid 184 through 211 removed outlier: 3.538A pdb=" N PHE C 194 " --> pdb=" O VAL C 190 " (cutoff:3.500A) Processing helix chain 'I' and resid 19 through 44 removed outlier: 4.306A pdb=" N ILE I 23 " --> pdb=" O SER I 19 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ALA I 39 " --> pdb=" O ILE I 35 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N LYS I 41 " --> pdb=" O VAL I 37 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N GLU I 42 " --> pdb=" O VAL I 38 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N TRP I 44 " --> pdb=" O ALA I 40 " (cutoff:3.500A) Processing helix chain 'I' and resid 45 through 47 No H-bonds generated for 'chain 'I' and resid 45 through 47' Processing helix chain 'I' and resid 59 through 69 Processing helix chain 'I' and resid 72 through 93 removed outlier: 3.563A pdb=" N LEU I 76 " --> pdb=" O SER I 72 " (cutoff:3.500A) Proline residue: I 87 - end of helix Processing helix chain 'I' and resid 136 through 158 removed outlier: 3.789A pdb=" N ILE I 140 " --> pdb=" O TYR I 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N GLU I 147 " --> pdb=" O ARG I 143 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N PHE I 154 " --> pdb=" O PHE I 150 " (cutoff:3.500A) Processing helix chain 'I' and resid 184 through 211 removed outlier: 3.538A pdb=" N PHE I 194 " --> pdb=" O VAL I 190 " (cutoff:3.500A) Processing helix chain 'D' and resid 19 through 44 removed outlier: 4.307A pdb=" N ILE D 23 " --> pdb=" O SER D 19 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA D 39 " --> pdb=" O ILE D 35 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N LYS D 41 " --> pdb=" O VAL D 37 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N GLU D 42 " --> pdb=" O VAL D 38 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N TRP D 44 " --> pdb=" O ALA D 40 " (cutoff:3.500A) Processing helix chain 'D' and resid 45 through 47 No H-bonds generated for 'chain 'D' and resid 45 through 47' Processing helix chain 'D' and resid 59 through 69 Processing helix chain 'D' and resid 72 through 93 removed outlier: 3.563A pdb=" N LEU D 76 " --> pdb=" O SER D 72 " (cutoff:3.500A) Proline residue: D 87 - end of helix Processing helix chain 'D' and resid 136 through 158 removed outlier: 3.789A pdb=" N ILE D 140 " --> pdb=" O TYR D 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N GLU D 147 " --> pdb=" O ARG D 143 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N PHE D 154 " --> pdb=" O PHE D 150 " (cutoff:3.500A) Processing helix chain 'D' and resid 184 through 211 removed outlier: 3.538A pdb=" N PHE D 194 " --> pdb=" O VAL D 190 " (cutoff:3.500A) Processing helix chain 'J' and resid 19 through 44 removed outlier: 4.307A pdb=" N ILE J 23 " --> pdb=" O SER J 19 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA J 39 " --> pdb=" O ILE J 35 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N LYS J 41 " --> pdb=" O VAL J 37 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N GLU J 42 " --> pdb=" O VAL J 38 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N TRP J 44 " --> pdb=" O ALA J 40 " (cutoff:3.500A) Processing helix chain 'J' and resid 45 through 47 No H-bonds generated for 'chain 'J' and resid 45 through 47' Processing helix chain 'J' and resid 59 through 69 Processing helix chain 'J' and resid 72 through 93 removed outlier: 3.563A pdb=" N LEU J 76 " --> pdb=" O SER J 72 " (cutoff:3.500A) Proline residue: J 87 - end of helix Processing helix chain 'J' and resid 136 through 158 removed outlier: 3.788A pdb=" N ILE J 140 " --> pdb=" O TYR J 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N GLU J 147 " --> pdb=" O ARG J 143 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N PHE J 154 " --> pdb=" O PHE J 150 " (cutoff:3.500A) Processing helix chain 'J' and resid 184 through 211 removed outlier: 3.537A pdb=" N PHE J 194 " --> pdb=" O VAL J 190 " (cutoff:3.500A) Processing helix chain 'E' and resid 19 through 44 removed outlier: 4.307A pdb=" N ILE E 23 " --> pdb=" O SER E 19 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA E 39 " --> pdb=" O ILE E 35 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N LYS E 41 " --> pdb=" O VAL E 37 " (cutoff:3.500A) removed outlier: 4.827A pdb=" N GLU E 42 " --> pdb=" O VAL E 38 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N TRP E 44 " --> pdb=" O ALA E 40 " (cutoff:3.500A) Processing helix chain 'E' and resid 45 through 47 No H-bonds generated for 'chain 'E' and resid 45 through 47' Processing helix chain 'E' and resid 59 through 69 Processing helix chain 'E' and resid 72 through 93 removed outlier: 3.563A pdb=" N LEU E 76 " --> pdb=" O SER E 72 " (cutoff:3.500A) Proline residue: E 87 - end of helix Processing helix chain 'E' and resid 136 through 158 removed outlier: 3.789A pdb=" N ILE E 140 " --> pdb=" O TYR E 136 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N GLU E 147 " --> pdb=" O ARG E 143 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N PHE E 154 " --> pdb=" O PHE E 150 " (cutoff:3.500A) Processing helix chain 'E' and resid 184 through 211 removed outlier: 3.538A pdb=" N PHE E 194 " --> pdb=" O VAL E 190 " (cutoff:3.500A) Processing helix chain 'F' and resid 19 through 44 removed outlier: 4.306A pdb=" N ILE F 23 " --> pdb=" O SER F 19 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA F 39 " --> pdb=" O ILE F 35 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N LYS F 41 " --> pdb=" O VAL F 37 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N GLU F 42 " --> pdb=" O VAL F 38 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N TRP F 44 " --> pdb=" O ALA F 40 " (cutoff:3.500A) Processing helix chain 'F' and resid 45 through 47 No H-bonds generated for 'chain 'F' and resid 45 through 47' Processing helix chain 'F' and resid 59 through 69 Processing helix chain 'F' and resid 72 through 93 removed outlier: 3.564A pdb=" N LEU F 76 " --> pdb=" O SER F 72 " (cutoff:3.500A) Proline residue: F 87 - end of helix Processing helix chain 'F' and resid 136 through 158 removed outlier: 3.789A pdb=" N ILE F 140 " --> pdb=" O TYR F 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N GLU F 147 " --> pdb=" O ARG F 143 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N PHE F 154 " --> pdb=" O PHE F 150 " (cutoff:3.500A) Processing helix chain 'F' and resid 184 through 211 removed outlier: 3.538A pdb=" N PHE F 194 " --> pdb=" O VAL F 190 " (cutoff:3.500A) Processing helix chain 'G' and resid 19 through 44 removed outlier: 4.307A pdb=" N ILE G 23 " --> pdb=" O SER G 19 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ALA G 39 " --> pdb=" O ILE G 35 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N LYS G 41 " --> pdb=" O VAL G 37 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N GLU G 42 " --> pdb=" O VAL G 38 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N TRP G 44 " --> pdb=" O ALA G 40 " (cutoff:3.500A) Processing helix chain 'G' and resid 45 through 47 No H-bonds generated for 'chain 'G' and resid 45 through 47' Processing helix chain 'G' and resid 59 through 69 Processing helix chain 'G' and resid 72 through 93 removed outlier: 3.563A pdb=" N LEU G 76 " --> pdb=" O SER G 72 " (cutoff:3.500A) Proline residue: G 87 - end of helix Processing helix chain 'G' and resid 136 through 158 removed outlier: 3.789A pdb=" N ILE G 140 " --> pdb=" O TYR G 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N GLU G 147 " --> pdb=" O ARG G 143 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N PHE G 154 " --> pdb=" O PHE G 150 " (cutoff:3.500A) Processing helix chain 'G' and resid 184 through 211 removed outlier: 3.538A pdb=" N PHE G 194 " --> pdb=" O VAL G 190 " (cutoff:3.500A) Processing sheet with id=AA1, first strand: chain 'A' and resid 166 through 169 removed outlier: 3.650A pdb=" N CYS A 169 " --> pdb=" O VAL A 178 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'K' and resid 166 through 169 removed outlier: 3.650A pdb=" N CYS K 169 " --> pdb=" O VAL K 178 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'L' and resid 166 through 169 removed outlier: 3.651A pdb=" N CYS L 169 " --> pdb=" O VAL L 178 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'B' and resid 166 through 169 removed outlier: 3.651A pdb=" N CYS B 169 " --> pdb=" O VAL B 178 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'H' and resid 166 through 169 removed outlier: 3.650A pdb=" N CYS H 169 " --> pdb=" O VAL H 178 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'C' and resid 166 through 169 removed outlier: 3.650A pdb=" N CYS C 169 " --> pdb=" O VAL C 178 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'I' and resid 166 through 169 removed outlier: 3.650A pdb=" N CYS I 169 " --> pdb=" O VAL I 178 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'D' and resid 166 through 169 removed outlier: 3.651A pdb=" N CYS D 169 " --> pdb=" O VAL D 178 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'J' and resid 166 through 169 removed outlier: 3.650A pdb=" N CYS J 169 " --> pdb=" O VAL J 178 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'E' and resid 166 through 169 removed outlier: 3.651A pdb=" N CYS E 169 " --> pdb=" O VAL E 178 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'F' and resid 166 through 169 removed outlier: 3.650A pdb=" N CYS F 169 " --> pdb=" O VAL F 178 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'G' and resid 166 through 169 removed outlier: 3.650A pdb=" N CYS G 169 " --> pdb=" O VAL G 178 " (cutoff:3.500A) 960 hydrogen bonds defined for protein. 2844 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: 4.96 Time building geometry restraints manager: 12.52 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 0.82 - 0.98: 5916 0.98 - 1.13: 60 1.13 - 1.29: 1932 1.29 - 1.45: 3207 1.45 - 1.60: 6177 Bond restraints: 17292 Sorted by residual: bond pdb=" CA PHE F 161 " pdb=" C PHE F 161 " ideal model delta sigma weight residual 1.523 1.603 -0.080 1.34e-02 5.57e+03 3.58e+01 bond pdb=" CA PHE G 161 " pdb=" C PHE G 161 " ideal model delta sigma weight residual 1.523 1.603 -0.080 1.34e-02 5.57e+03 3.58e+01 bond pdb=" CA PHE H 161 " pdb=" C PHE H 161 " ideal model delta sigma weight residual 1.523 1.603 -0.080 1.34e-02 5.57e+03 3.58e+01 bond pdb=" CA PHE C 161 " pdb=" C PHE C 161 " ideal model delta sigma weight residual 1.523 1.603 -0.080 1.34e-02 5.57e+03 3.58e+01 bond pdb=" CA PHE E 161 " pdb=" C PHE E 161 " ideal model delta sigma weight residual 1.523 1.603 -0.080 1.34e-02 5.57e+03 3.58e+01 ... (remaining 17287 not shown) Histogram of bond angle deviations from ideal: 99.57 - 106.47: 743 106.47 - 113.36: 14460 113.36 - 120.25: 6540 120.25 - 127.15: 8026 127.15 - 134.04: 219 Bond angle restraints: 29988 Sorted by residual: angle pdb=" N PHE J 161 " pdb=" CA PHE J 161 " pdb=" C PHE J 161 " ideal model delta sigma weight residual 110.80 121.23 -10.43 2.13e+00 2.20e-01 2.40e+01 angle pdb=" N PHE L 161 " pdb=" CA PHE L 161 " pdb=" C PHE L 161 " ideal model delta sigma weight residual 110.80 121.20 -10.40 2.13e+00 2.20e-01 2.38e+01 angle pdb=" N PHE E 161 " pdb=" CA PHE E 161 " pdb=" C PHE E 161 " ideal model delta sigma weight residual 110.80 121.19 -10.39 2.13e+00 2.20e-01 2.38e+01 angle pdb=" N PHE K 161 " pdb=" CA PHE K 161 " pdb=" C PHE K 161 " ideal model delta sigma weight residual 110.80 121.17 -10.37 2.13e+00 2.20e-01 2.37e+01 angle pdb=" N PHE B 161 " pdb=" CA PHE B 161 " pdb=" C PHE B 161 " ideal model delta sigma weight residual 110.80 121.16 -10.36 2.13e+00 2.20e-01 2.37e+01 ... (remaining 29983 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 15.52: 8952 15.52 - 31.04: 192 31.04 - 46.57: 144 46.57 - 62.09: 60 62.09 - 77.61: 24 Dihedral angle restraints: 9372 sinusoidal: 2976 harmonic: 6396 Sorted by residual: dihedral pdb=" CA SER K 19 " pdb=" C SER K 19 " pdb=" N ILE K 20 " pdb=" CA ILE K 20 " ideal model delta harmonic sigma weight residual 180.00 152.39 27.61 0 5.00e+00 4.00e-02 3.05e+01 dihedral pdb=" CA SER D 19 " pdb=" C SER D 19 " pdb=" N ILE D 20 " pdb=" CA ILE D 20 " ideal model delta harmonic sigma weight residual 180.00 152.40 27.60 0 5.00e+00 4.00e-02 3.05e+01 dihedral pdb=" CA SER B 19 " pdb=" C SER B 19 " pdb=" N ILE B 20 " pdb=" CA ILE B 20 " ideal model delta harmonic sigma weight residual 180.00 152.40 27.60 0 5.00e+00 4.00e-02 3.05e+01 ... (remaining 9369 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.051: 1253 0.051 - 0.102: 462 0.102 - 0.152: 110 0.152 - 0.203: 11 0.203 - 0.254: 36 Chirality restraints: 1872 Sorted by residual: chirality pdb=" CA ILE D 33 " pdb=" N ILE D 33 " pdb=" C ILE D 33 " pdb=" CB ILE D 33 " both_signs ideal model delta sigma weight residual False 2.43 2.69 -0.25 2.00e-01 2.50e+01 1.61e+00 chirality pdb=" CA ILE J 33 " pdb=" N ILE J 33 " pdb=" C ILE J 33 " pdb=" CB ILE J 33 " both_signs ideal model delta sigma weight residual False 2.43 2.69 -0.25 2.00e-01 2.50e+01 1.60e+00 chirality pdb=" CA ILE H 33 " pdb=" N ILE H 33 " pdb=" C ILE H 33 " pdb=" CB ILE H 33 " both_signs ideal model delta sigma weight residual False 2.43 2.69 -0.25 2.00e-01 2.50e+01 1.60e+00 ... (remaining 1869 not shown) Planarity restraints: 3996 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C TRP D 172 " -0.062 5.00e-02 4.00e+02 9.40e-02 1.41e+01 pdb=" N PRO D 173 " 0.163 5.00e-02 4.00e+02 pdb=" CA PRO D 173 " -0.050 5.00e-02 4.00e+02 pdb=" CD PRO D 173 " -0.051 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C TRP G 172 " -0.062 5.00e-02 4.00e+02 9.39e-02 1.41e+01 pdb=" N PRO G 173 " 0.162 5.00e-02 4.00e+02 pdb=" CA PRO G 173 " -0.050 5.00e-02 4.00e+02 pdb=" CD PRO G 173 " -0.051 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C TRP H 172 " -0.062 5.00e-02 4.00e+02 9.39e-02 1.41e+01 pdb=" N PRO H 173 " 0.162 5.00e-02 4.00e+02 pdb=" CA PRO H 173 " -0.050 5.00e-02 4.00e+02 pdb=" CD PRO H 173 " -0.051 5.00e-02 4.00e+02 ... (remaining 3993 not shown) Histogram of nonbonded interaction distances: 1.53 - 2.12: 231 2.12 - 2.72: 19042 2.72 - 3.31: 37551 3.31 - 3.91: 36915 3.91 - 4.50: 53934 Nonbonded interactions: 147673 Sorted by model distance: nonbonded pdb=" O ILE J 71 " pdb=" HH TYR J 158 " model vdw 1.528 1.850 nonbonded pdb=" O ILE B 71 " pdb=" HH TYR B 158 " model vdw 1.529 1.850 nonbonded pdb=" O ILE F 71 " pdb=" HH TYR F 158 " model vdw 1.529 1.850 nonbonded pdb=" O ILE A 71 " pdb=" HH TYR A 158 " model vdw 1.529 1.850 nonbonded pdb=" O ILE K 71 " pdb=" HH TYR K 158 " model vdw 1.529 1.850 ... (remaining 147668 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 0.760 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.010 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.400 Extract box with map and model: 3.710 Check model and map are aligned: 0.250 Set scattering table: 0.150 Process input model: 51.340 Find NCS groups from input model: 1.000 Set up NCS constraints: 0.110 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.000 Load rotamer database and sin/cos tables:2.840 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 60.570 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7952 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 : 0.010 0.080 11316 Z= 0.696 Angle : 1.168 10.690 15744 Z= 0.762 Chirality : 0.062 0.254 1872 Planarity : 0.010 0.094 2172 Dihedral : 9.042 59.901 2688 Min Nonbonded Distance : 2.148 Molprobity Statistics. All-atom Clashscore : 2.19 Ramachandran Plot: Outliers : 0.00 % Allowed : 16.03 % Favored : 83.97 % Rotamer: Outliers : 0.00 % Allowed : 4.17 % Favored : 95.83 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.91 (0.16), residues: 1872 helix: -2.66 (0.12), residues: 1164 sheet: -5.22 (0.25), residues: 132 loop : -3.59 (0.26), residues: 576 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.011 0.002 TRP H 24 HIS 0.003 0.001 HIS H 73 PHE 0.012 0.001 PHE K 69 TYR 0.009 0.001 TYR G 68 ARG 0.002 0.000 ARG I 143 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Evaluate side-chains 201 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 201 time to evaluate : 1.521 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 68 TYR cc_start: 0.9024 (m-80) cc_final: 0.8696 (m-10) REVERT: K 83 PHE cc_start: 0.9265 (m-80) cc_final: 0.8866 (m-80) REVERT: B 83 PHE cc_start: 0.9301 (m-80) cc_final: 0.8885 (m-80) REVERT: C 68 TYR cc_start: 0.8975 (m-80) cc_final: 0.8374 (m-80) REVERT: I 68 TYR cc_start: 0.8976 (m-80) cc_final: 0.8605 (m-80) REVERT: D 165 ARG cc_start: 0.8965 (mtt180) cc_final: 0.8699 (mtp85) REVERT: J 68 TYR cc_start: 0.9096 (m-80) cc_final: 0.8662 (m-80) REVERT: J 165 ARG cc_start: 0.8921 (mtt180) cc_final: 0.8694 (ptp-170) REVERT: E 48 GLN cc_start: 0.8826 (tp40) cc_final: 0.8392 (tp-100) REVERT: E 165 ARG cc_start: 0.8947 (mtt180) cc_final: 0.8739 (mtp85) REVERT: F 68 TYR cc_start: 0.9012 (m-80) cc_final: 0.8553 (m-10) REVERT: G 68 TYR cc_start: 0.9021 (m-80) cc_final: 0.8468 (m-80) outliers start: 0 outliers final: 0 residues processed: 201 average time/residue: 0.6331 time to fit residues: 156.6530 Evaluate side-chains 157 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 157 time to evaluate : 1.517 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 162 optimal weight: 1.9990 chunk 145 optimal weight: 0.7980 chunk 80 optimal weight: 20.0000 chunk 49 optimal weight: 3.9990 chunk 98 optimal weight: 0.8980 chunk 77 optimal weight: 0.8980 chunk 150 optimal weight: 6.9990 chunk 58 optimal weight: 7.9990 chunk 91 optimal weight: 7.9990 chunk 112 optimal weight: 5.9990 chunk 174 optimal weight: 8.9990 overall best weight: 1.7184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8032 moved from start: 0.2941 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.020 11316 Z= 0.159 Angle : 0.501 3.923 15744 Z= 0.285 Chirality : 0.042 0.133 1872 Planarity : 0.006 0.048 2172 Dihedral : 4.333 19.713 1968 Min Nonbonded Distance : 2.322 Molprobity Statistics. All-atom Clashscore : 0.69 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.49 % Favored : 91.51 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.18 (0.21), residues: 1872 helix: 0.89 (0.15), residues: 1200 sheet: -4.60 (0.29), residues: 132 loop : -3.70 (0.27), residues: 540 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.004 0.001 TRP E 172 HIS 0.002 0.001 HIS K 73 PHE 0.021 0.001 PHE E 51 TYR 0.008 0.001 TYR D 68 ARG 0.001 0.000 ARG G 165 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Evaluate side-chains 184 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 184 time to evaluate : 1.493 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: C 68 TYR cc_start: 0.8874 (m-80) cc_final: 0.8214 (m-80) REVERT: I 68 TYR cc_start: 0.8928 (m-80) cc_final: 0.8424 (m-80) REVERT: D 165 ARG cc_start: 0.8957 (mtt180) cc_final: 0.8647 (mtp85) REVERT: J 68 TYR cc_start: 0.8980 (m-80) cc_final: 0.8582 (m-80) REVERT: J 143 ARG cc_start: 0.9024 (ttt180) cc_final: 0.8492 (ttp-110) REVERT: E 165 ARG cc_start: 0.8931 (mtt180) cc_final: 0.8638 (mtp85) REVERT: G 68 TYR cc_start: 0.8877 (m-80) cc_final: 0.8327 (m-80) outliers start: 0 outliers final: 0 residues processed: 184 average time/residue: 0.5845 time to fit residues: 135.7542 Evaluate side-chains 170 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 170 time to evaluate : 1.535 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 96 optimal weight: 20.0000 chunk 54 optimal weight: 4.9990 chunk 145 optimal weight: 0.8980 chunk 118 optimal weight: 9.9990 chunk 48 optimal weight: 10.0000 chunk 174 optimal weight: 9.9990 chunk 188 optimal weight: 0.0020 chunk 155 optimal weight: 1.9990 chunk 173 optimal weight: 0.7980 chunk 59 optimal weight: 9.9990 chunk 140 optimal weight: 0.0770 overall best weight: 0.7548 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8043 moved from start: 0.3816 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.023 11316 Z= 0.113 Angle : 0.435 4.103 15744 Z= 0.238 Chirality : 0.042 0.115 1872 Planarity : 0.005 0.037 2172 Dihedral : 3.276 16.135 1968 Min Nonbonded Distance : 2.182 Molprobity Statistics. All-atom Clashscore : 0.29 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.23 % Favored : 91.77 % Rotamer: Outliers : 0.00 % Allowed : 1.04 % Favored : 98.96 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.94 (0.22), residues: 1872 helix: 2.49 (0.15), residues: 1248 sheet: -3.71 (0.34), residues: 132 loop : -3.30 (0.28), residues: 492 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP E 172 HIS 0.002 0.001 HIS B 73 PHE 0.012 0.001 PHE J 69 TYR 0.007 0.001 TYR A 68 ARG 0.002 0.000 ARG L 165 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Evaluate side-chains 175 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 175 time to evaluate : 1.680 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: C 68 TYR cc_start: 0.8832 (m-80) cc_final: 0.8233 (m-80) REVERT: D 143 ARG cc_start: 0.9039 (ttt180) cc_final: 0.8585 (ttp-110) REVERT: D 165 ARG cc_start: 0.8873 (mtt180) cc_final: 0.8661 (mtp85) REVERT: J 68 TYR cc_start: 0.8784 (m-80) cc_final: 0.8442 (m-80) REVERT: J 143 ARG cc_start: 0.9026 (ttt180) cc_final: 0.8529 (ttp-110) REVERT: E 165 ARG cc_start: 0.8851 (mtt180) cc_final: 0.8588 (mtp85) REVERT: G 68 TYR cc_start: 0.8855 (m-80) cc_final: 0.8331 (m-80) outliers start: 0 outliers final: 0 residues processed: 175 average time/residue: 0.5698 time to fit residues: 126.1433 Evaluate side-chains 170 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 170 time to evaluate : 1.519 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 172 optimal weight: 5.9990 chunk 131 optimal weight: 9.9990 chunk 90 optimal weight: 10.0000 chunk 19 optimal weight: 10.0000 chunk 83 optimal weight: 7.9990 chunk 117 optimal weight: 4.9990 chunk 175 optimal weight: 10.0000 chunk 185 optimal weight: 8.9990 chunk 91 optimal weight: 8.9990 chunk 166 optimal weight: 5.9990 chunk 50 optimal weight: 0.9980 overall best weight: 5.1988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8292 moved from start: 0.5232 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.049 11316 Z= 0.327 Angle : 0.591 4.289 15744 Z= 0.360 Chirality : 0.044 0.140 1872 Planarity : 0.006 0.042 2172 Dihedral : 4.209 16.728 1968 Min Nonbonded Distance : 1.897 Molprobity Statistics. All-atom Clashscore : 3.06 Ramachandran Plot: Outliers : 0.00 % Allowed : 11.32 % Favored : 88.68 % Rotamer: Outliers : 0.00 % Allowed : 4.17 % Favored : 95.83 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.29 (0.20), residues: 1872 helix: 1.83 (0.14), residues: 1248 sheet: -3.48 (0.33), residues: 120 loop : -3.24 (0.28), residues: 504 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.010 0.001 TRP G 172 HIS 0.005 0.002 HIS L 94 PHE 0.019 0.002 PHE K 154 TYR 0.010 0.002 TYR J 65 ARG 0.005 0.001 ARG E 32 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Evaluate side-chains 185 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 185 time to evaluate : 1.601 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: C 68 TYR cc_start: 0.8756 (m-80) cc_final: 0.8332 (m-10) REVERT: C 143 ARG cc_start: 0.9304 (ttt180) cc_final: 0.8763 (ttp-110) REVERT: I 68 TYR cc_start: 0.8802 (m-80) cc_final: 0.8519 (m-10) REVERT: D 165 ARG cc_start: 0.8970 (mtt180) cc_final: 0.8659 (mtp85) REVERT: J 143 ARG cc_start: 0.9164 (ttt180) cc_final: 0.8663 (ttp-110) REVERT: E 165 ARG cc_start: 0.8970 (mtt180) cc_final: 0.8660 (mtp85) REVERT: G 68 TYR cc_start: 0.8779 (m-80) cc_final: 0.8373 (m-10) outliers start: 0 outliers final: 0 residues processed: 185 average time/residue: 0.5852 time to fit residues: 136.0364 Evaluate side-chains 172 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 172 time to evaluate : 1.569 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 154 optimal weight: 9.9990 chunk 105 optimal weight: 9.9990 chunk 2 optimal weight: 1.9990 chunk 138 optimal weight: 3.9990 chunk 76 optimal weight: 4.9990 chunk 158 optimal weight: 1.9990 chunk 128 optimal weight: 20.0000 chunk 0 optimal weight: 20.0000 chunk 94 optimal weight: 9.9990 chunk 166 optimal weight: 1.9990 chunk 46 optimal weight: 9.9990 overall best weight: 2.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 94 HIS Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8265 moved from start: 0.5563 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.024 11316 Z= 0.194 Angle : 0.467 3.673 15744 Z= 0.269 Chirality : 0.042 0.120 1872 Planarity : 0.005 0.036 2172 Dihedral : 3.576 18.494 1968 Min Nonbonded Distance : 1.915 Molprobity Statistics. All-atom Clashscore : 0.52 Ramachandran Plot: Outliers : 0.00 % Allowed : 9.19 % Favored : 90.81 % Rotamer: Outliers : 0.00 % Allowed : 0.35 % Favored : 99.65 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.99 (0.21), residues: 1872 helix: 2.51 (0.14), residues: 1248 sheet: -3.53 (0.32), residues: 204 loop : -3.05 (0.33), residues: 420 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP C 172 HIS 0.005 0.001 HIS I 94 PHE 0.018 0.001 PHE A 154 TYR 0.007 0.001 TYR I 68 ARG 0.002 0.000 ARG L 32 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Evaluate side-chains 178 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 178 time to evaluate : 1.592 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 143 ARG cc_start: 0.9338 (ttt180) cc_final: 0.8796 (ttp-110) REVERT: C 143 ARG cc_start: 0.9290 (ttt180) cc_final: 0.8797 (ttp-110) REVERT: D 165 ARG cc_start: 0.8963 (mtt180) cc_final: 0.8703 (mtp85) REVERT: J 143 ARG cc_start: 0.9189 (ttt180) cc_final: 0.8748 (ttp-110) REVERT: E 165 ARG cc_start: 0.8974 (mtt180) cc_final: 0.8714 (mtp85) REVERT: G 68 TYR cc_start: 0.8694 (m-80) cc_final: 0.8452 (m-10) REVERT: G 143 ARG cc_start: 0.9228 (ttt180) cc_final: 0.8748 (ttp-110) outliers start: 0 outliers final: 0 residues processed: 178 average time/residue: 0.5908 time to fit residues: 132.7041 Evaluate side-chains 171 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 171 time to evaluate : 1.523 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 62 optimal weight: 7.9990 chunk 167 optimal weight: 10.0000 chunk 36 optimal weight: 0.7980 chunk 108 optimal weight: 0.9980 chunk 45 optimal weight: 6.9990 chunk 185 optimal weight: 9.9990 chunk 154 optimal weight: 10.0000 chunk 86 optimal weight: 9.9990 chunk 15 optimal weight: 10.0000 chunk 61 optimal weight: 5.9990 chunk 97 optimal weight: 9.9990 overall best weight: 4.5586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8320 moved from start: 0.6179 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.030 11316 Z= 0.288 Angle : 0.527 3.904 15744 Z= 0.316 Chirality : 0.043 0.114 1872 Planarity : 0.005 0.036 2172 Dihedral : 3.988 15.999 1968 Min Nonbonded Distance : 1.862 Molprobity Statistics. All-atom Clashscore : 2.60 Ramachandran Plot: Outliers : 0.00 % Allowed : 11.54 % Favored : 88.46 % Rotamer: Outliers : 0.00 % Allowed : 2.08 % Favored : 97.92 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.68 (0.21), residues: 1872 helix: 2.26 (0.14), residues: 1248 sheet: -3.41 (0.35), residues: 204 loop : -3.24 (0.32), residues: 420 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.002 TRP F 44 HIS 0.004 0.001 HIS D 73 PHE 0.019 0.002 PHE F 154 TYR 0.008 0.002 TYR G 68 ARG 0.003 0.001 ARG A 32 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Evaluate side-chains 181 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 181 time to evaluate : 1.487 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: C 143 ARG cc_start: 0.9327 (ttt180) cc_final: 0.8789 (ttp-110) REVERT: I 143 ARG cc_start: 0.9321 (ttt180) cc_final: 0.8819 (ttp-110) REVERT: D 165 ARG cc_start: 0.8996 (mtt180) cc_final: 0.8705 (mtp85) REVERT: E 165 ARG cc_start: 0.9006 (mtt180) cc_final: 0.8718 (mtp85) REVERT: G 143 ARG cc_start: 0.9257 (ttt180) cc_final: 0.8834 (ttp-110) outliers start: 0 outliers final: 0 residues processed: 181 average time/residue: 0.5721 time to fit residues: 130.7776 Evaluate side-chains 170 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 170 time to evaluate : 1.636 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 179 optimal weight: 8.9990 chunk 20 optimal weight: 0.8980 chunk 105 optimal weight: 8.9990 chunk 135 optimal weight: 20.0000 chunk 156 optimal weight: 0.9980 chunk 103 optimal weight: 10.0000 chunk 185 optimal weight: 9.9990 chunk 115 optimal weight: 6.9990 chunk 112 optimal weight: 8.9990 chunk 85 optimal weight: 6.9990 chunk 114 optimal weight: 0.9990 overall best weight: 3.3786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8298 moved from start: 0.6340 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.024 11316 Z= 0.213 Angle : 0.467 3.607 15744 Z= 0.270 Chirality : 0.042 0.116 1872 Planarity : 0.005 0.038 2172 Dihedral : 3.577 17.558 1968 Min Nonbonded Distance : 1.875 Molprobity Statistics. All-atom Clashscore : 0.87 Ramachandran Plot: Outliers : 0.00 % Allowed : 11.06 % Favored : 88.94 % Rotamer: Outliers : 0.00 % Allowed : 1.39 % Favored : 98.61 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.06 (0.21), residues: 1872 helix: 2.64 (0.14), residues: 1248 sheet: -3.55 (0.32), residues: 204 loop : -3.25 (0.31), residues: 420 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP H 172 HIS 0.008 0.002 HIS H 94 PHE 0.017 0.001 PHE G 154 TYR 0.009 0.001 TYR L 158 ARG 0.003 0.000 ARG A 32 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Evaluate side-chains 186 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 186 time to evaluate : 1.659 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: C 143 ARG cc_start: 0.9315 (ttt180) cc_final: 0.8794 (ttp-110) REVERT: I 143 ARG cc_start: 0.9301 (ttt180) cc_final: 0.8841 (ttp-110) REVERT: D 165 ARG cc_start: 0.8991 (mtt180) cc_final: 0.8697 (mtp85) REVERT: E 165 ARG cc_start: 0.8994 (mtt180) cc_final: 0.8704 (mtp85) REVERT: G 143 ARG cc_start: 0.9240 (ttt180) cc_final: 0.8765 (ttp-110) outliers start: 0 outliers final: 0 residues processed: 186 average time/residue: 0.5837 time to fit residues: 135.5819 Evaluate side-chains 174 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 174 time to evaluate : 1.598 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 73 optimal weight: 9.9990 chunk 110 optimal weight: 9.9990 chunk 55 optimal weight: 20.0000 chunk 36 optimal weight: 4.9990 chunk 35 optimal weight: 7.9990 chunk 117 optimal weight: 7.9990 chunk 126 optimal weight: 4.9990 chunk 91 optimal weight: 9.9990 chunk 17 optimal weight: 9.9990 chunk 145 optimal weight: 10.0000 chunk 168 optimal weight: 30.0000 overall best weight: 7.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8365 moved from start: 0.6785 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.040 11316 Z= 0.419 Angle : 0.611 4.336 15744 Z= 0.382 Chirality : 0.043 0.124 1872 Planarity : 0.006 0.041 2172 Dihedral : 4.693 16.717 1968 Min Nonbonded Distance : 1.819 Molprobity Statistics. All-atom Clashscore : 6.17 Ramachandran Plot: Outliers : 0.00 % Allowed : 13.73 % Favored : 86.27 % Rotamer: Outliers : 0.00 % Allowed : 2.08 % Favored : 97.92 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.66 (0.19), residues: 1872 helix: 1.31 (0.13), residues: 1248 sheet: -4.22 (0.27), residues: 204 loop : -3.84 (0.28), residues: 420 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.010 0.002 TRP C 44 HIS 0.005 0.002 HIS H 94 PHE 0.020 0.002 PHE G 154 TYR 0.011 0.002 TYR B 158 ARG 0.004 0.001 ARG A 32 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Evaluate side-chains 181 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 181 time to evaluate : 1.542 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: C 143 ARG cc_start: 0.9369 (ttt180) cc_final: 0.8821 (ttp-110) REVERT: I 143 ARG cc_start: 0.9348 (ttt180) cc_final: 0.8760 (ttp-110) REVERT: D 165 ARG cc_start: 0.9018 (mtt180) cc_final: 0.8724 (mtp85) REVERT: E 165 ARG cc_start: 0.9010 (mtt180) cc_final: 0.8721 (mtp85) REVERT: G 143 ARG cc_start: 0.9301 (ttt180) cc_final: 0.8793 (ttp-110) outliers start: 0 outliers final: 0 residues processed: 181 average time/residue: 0.5425 time to fit residues: 124.4541 Evaluate side-chains 163 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 163 time to evaluate : 1.606 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 177 optimal weight: 10.0000 chunk 161 optimal weight: 10.0000 chunk 172 optimal weight: 0.4980 chunk 103 optimal weight: 0.9990 chunk 75 optimal weight: 9.9990 chunk 135 optimal weight: 20.0000 chunk 52 optimal weight: 4.9990 chunk 155 optimal weight: 10.0000 chunk 163 optimal weight: 5.9990 chunk 171 optimal weight: 1.9990 chunk 113 optimal weight: 9.9990 overall best weight: 2.8988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8308 moved from start: 0.6826 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.025 11316 Z= 0.199 Angle : 0.478 5.275 15744 Z= 0.276 Chirality : 0.042 0.115 1872 Planarity : 0.005 0.037 2172 Dihedral : 3.855 17.839 1968 Min Nonbonded Distance : 1.853 Molprobity Statistics. All-atom Clashscore : 1.44 Ramachandran Plot: Outliers : 0.00 % Allowed : 10.52 % Favored : 89.48 % Rotamer: Outliers : 0.00 % Allowed : 0.69 % Favored : 99.31 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.47 (0.20), residues: 1872 helix: 2.22 (0.14), residues: 1248 sheet: -3.84 (0.29), residues: 204 loop : -3.57 (0.30), residues: 420 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.001 TRP H 172 HIS 0.003 0.001 HIS J 94 PHE 0.018 0.001 PHE J 154 TYR 0.011 0.001 TYR I 68 ARG 0.002 0.000 ARG A 32 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Evaluate side-chains 185 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 185 time to evaluate : 1.504 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: C 143 ARG cc_start: 0.9337 (ttt180) cc_final: 0.8808 (ttp-110) REVERT: I 143 ARG cc_start: 0.9316 (ttt180) cc_final: 0.8824 (ttp-110) REVERT: D 165 ARG cc_start: 0.8999 (mtt180) cc_final: 0.8712 (mtp85) REVERT: J 143 ARG cc_start: 0.9251 (ttt180) cc_final: 0.8924 (mtp85) REVERT: E 165 ARG cc_start: 0.8998 (mtt180) cc_final: 0.8711 (mtp85) REVERT: G 143 ARG cc_start: 0.9266 (ttt180) cc_final: 0.8777 (ttp-110) outliers start: 0 outliers final: 0 residues processed: 185 average time/residue: 0.5684 time to fit residues: 132.0116 Evaluate side-chains 177 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 177 time to evaluate : 1.414 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 182 optimal weight: 9.9990 chunk 111 optimal weight: 20.0000 chunk 86 optimal weight: 10.0000 chunk 126 optimal weight: 4.9990 chunk 191 optimal weight: 20.0000 chunk 176 optimal weight: 20.0000 chunk 152 optimal weight: 30.0000 chunk 15 optimal weight: 20.0000 chunk 117 optimal weight: 0.9980 chunk 93 optimal weight: 1.9990 chunk 120 optimal weight: 8.9990 overall best weight: 5.3988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8343 moved from start: 0.6944 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.042 11316 Z= 0.328 Angle : 0.550 5.459 15744 Z= 0.332 Chirality : 0.043 0.115 1872 Planarity : 0.005 0.039 2172 Dihedral : 4.223 16.654 1968 Min Nonbonded Distance : 1.845 Molprobity Statistics. All-atom Clashscore : 4.09 Ramachandran Plot: Outliers : 0.00 % Allowed : 14.74 % Favored : 85.26 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.02 (0.20), residues: 1872 helix: 1.88 (0.14), residues: 1248 sheet: -2.56 (0.41), residues: 120 loop : -4.43 (0.24), residues: 504 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.023 0.002 TRP D 172 HIS 0.004 0.002 HIS A 73 PHE 0.020 0.002 PHE G 154 TYR 0.017 0.002 TYR L 158 ARG 0.003 0.001 ARG J 32 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3744 Ramachandran restraints generated. 1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Residue SER 17 is missing expected H atoms. Skipping. Residue THR 18 is missing expected H atoms. Skipping. Residue SER 19 is missing expected H atoms. Skipping. Residue ILE 20 is missing expected H atoms. Skipping. Residue LYS 22 is missing expected H atoms. Skipping. Residue ILE 23 is missing expected H atoms. Skipping. Residue LEU 25 is missing expected H atoms. Skipping. Residue THR 26 is missing expected H atoms. Skipping. Residue VAL 27 is missing expected H atoms. Skipping. Residue LEU 28 is missing expected H atoms. Skipping. Residue ILE 30 is missing expected H atoms. Skipping. Residue ILE 33 is missing expected H atoms. Skipping. Residue MET 34 is missing expected H atoms. Skipping. Residue ILE 35 is missing expected H atoms. Skipping. Residue LEU 36 is missing expected H atoms. Skipping. Residue VAL 37 is missing expected H atoms. Skipping. Residue VAL 38 is missing expected H atoms. Skipping. Residue ALA 39 is missing expected H atoms. Skipping. Residue ALA 40 is missing expected H atoms. Skipping. Residue LYS 41 is missing expected H atoms. Skipping. Residue VAL 43 is missing expected H atoms. Skipping. Residue ALA 49 is missing expected H atoms. Skipping. Residue VAL 52 is missing expected H atoms. Skipping. Residue THR 55 is missing expected H atoms. Skipping. Residue LEU 56 is missing expected H atoms. Skipping. Residue LYS 61 is missing expected H atoms. Skipping. Residue VAL 63 is missing expected H atoms. Skipping. Residue ILE 71 is missing expected H atoms. Skipping. Residue SER 72 is missing expected H atoms. Skipping. Residue ILE 74 is missing expected H atoms. Skipping. Residue LEU 76 is missing expected H atoms. Skipping. Residue ALA 78 is missing expected H atoms. Skipping. Residue LEU 79 is missing expected H atoms. Skipping. Residue LEU 81 is missing expected H atoms. Skipping. Residue ILE 82 is missing expected H atoms. Skipping. Residue VAL 84 is missing expected H atoms. Skipping. Residue SER 85 is missing expected H atoms. Skipping. Residue THR 86 is missing expected H atoms. Skipping. Residue LEU 89 is missing expected H atoms. Skipping. Residue LEU 90 is missing expected H atoms. Skipping. Residue VAL 91 is missing expected H atoms. Skipping. Residue ALA 92 is missing expected H atoms. Skipping. Residue MET 93 is missing expected H atoms. Skipping. Residue VAL 95 is missing expected H atoms. Skipping. Residue ALA 96 is missing expected H atoms. Skipping. Residue THR 135 is missing expected H atoms. Skipping. Residue TYR 136 is missing expected H atoms. Skipping. Residue THR 137 is missing expected H atoms. Skipping. Residue SER 138 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue ILE 140 is missing expected H atoms. Skipping. Residue VAL 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue MET 151 is missing expected H atoms. Skipping. Residue TYR 152 is missing expected H atoms. Skipping. Residue VAL 153 is missing expected H atoms. Skipping. Residue TYR 155 is missing expected H atoms. Skipping. Residue MET 157 is missing expected H atoms. Skipping. Residue SER 162 is missing expected H atoms. Skipping. Residue MET 163 is missing expected H atoms. Skipping. Residue LEU 166 is missing expected H atoms. Skipping. Residue VAL 167 is missing expected H atoms. Skipping. Residue LYS 168 is missing expected H atoms. Skipping. Residue ALA 171 is missing expected H atoms. Skipping. Residue THR 177 is missing expected H atoms. Skipping. Residue VAL 178 is missing expected H atoms. Skipping. Residue VAL 182 is missing expected H atoms. Skipping. Residue SER 183 is missing expected H atoms. Skipping. Residue THR 186 is missing expected H atoms. Skipping. Residue LYS 188 is missing expected H atoms. Skipping. Residue THR 189 is missing expected H atoms. Skipping. Residue VAL 190 is missing expected H atoms. Skipping. Residue THR 192 is missing expected H atoms. Skipping. Residue VAL 193 is missing expected H atoms. Skipping. Residue MET 195 is missing expected H atoms. Skipping. Residue ILE 196 is missing expected H atoms. Skipping. Residue ALA 197 is missing expected H atoms. Skipping. Residue VAL 198 is missing expected H atoms. Skipping. Residue SER 199 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 203 is missing expected H atoms. Skipping. Residue LEU 204 is missing expected H atoms. Skipping. Residue LEU 205 is missing expected H atoms. Skipping. Residue VAL 207 is missing expected H atoms. Skipping. Residue THR 208 is missing expected H atoms. Skipping. Residue LEU 210 is missing expected H atoms. Skipping. Residue SER 211 is missing expected H atoms. Skipping. Residue TYR 212 is missing expected H atoms. Skipping. Evaluate side-chains 183 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 183 time to evaluate : 1.486 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: C 143 ARG cc_start: 0.9353 (ttt180) cc_final: 0.8813 (ttp-110) REVERT: I 143 ARG cc_start: 0.9330 (ttt180) cc_final: 0.8787 (ttp-110) REVERT: D 165 ARG cc_start: 0.8995 (mtt180) cc_final: 0.8703 (mtp85) REVERT: J 143 ARG cc_start: 0.9282 (ttt180) cc_final: 0.8935 (mtp85) REVERT: E 165 ARG cc_start: 0.8995 (mtt180) cc_final: 0.8705 (mtp85) REVERT: G 143 ARG cc_start: 0.9292 (ttt180) cc_final: 0.8799 (ttp-110) outliers start: 0 outliers final: 0 residues processed: 183 average time/residue: 0.5524 time to fit residues: 127.9994 Evaluate side-chains 169 residues out of total 1728 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 169 time to evaluate : 1.554 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 192 random chunks: chunk 162 optimal weight: 6.9990 chunk 46 optimal weight: 8.9990 chunk 140 optimal weight: 6.9990 chunk 22 optimal weight: 9.9990 chunk 42 optimal weight: 10.0000 chunk 152 optimal weight: 20.0000 chunk 63 optimal weight: 10.0000 chunk 156 optimal weight: 0.5980 chunk 19 optimal weight: 6.9990 chunk 28 optimal weight: 0.7980 chunk 133 optimal weight: 0.8980 overall best weight: 3.2584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3631 r_free = 0.3631 target = 0.104174 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 58)----------------| | r_work = 0.3149 r_free = 0.3149 target = 0.077431 restraints weight = 94124.863| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 46)----------------| | r_work = 0.3182 r_free = 0.3182 target = 0.079102 restraints weight = 61373.383| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 33)----------------| | r_work = 0.3200 r_free = 0.3200 target = 0.079961 restraints weight = 48584.279| |-----------------------------------------------------------------------------| r_work (final): 0.3138 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8645 moved from start: 0.6997 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.028 11316 Z= 0.218 Angle : 0.477 4.644 15744 Z= 0.275 Chirality : 0.042 0.117 1872 Planarity : 0.005 0.038 2172 Dihedral : 3.722 16.988 1968 Min Nonbonded Distance : 1.873 Molprobity Statistics. All-atom Clashscore : 2.02 Ramachandran Plot: Outliers : 0.00 % Allowed : 11.49 % Favored : 88.51 % Rotamer: Outliers : 0.00 % Allowed : 0.69 % Favored : 99.31 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.80 (0.20), residues: 1872 helix: 2.47 (0.14), residues: 1248 sheet: -2.28 (0.44), residues: 120 loop : -4.12 (0.25), residues: 504 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.018 0.001 TRP H 172 HIS 0.004 0.001 HIS A 73 PHE 0.017 0.001 PHE C 154 TYR 0.008 0.001 TYR I 68 ARG 0.002 0.000 ARG L 32 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 3172.69 seconds wall clock time: 56 minutes 17.19 seconds (3377.19 seconds total)