Starting phenix.real_space_refine on Mon Aug 25 05:14:07 2025 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/cci-nas-00/data/ceres_data/8cgl_16647/08_2025/8cgl_16647.cif Found real_map, /net/cci-nas-00/data/ceres_data/8cgl_16647/08_2025/8cgl_16647.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.1 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { model { file = "/net/cci-nas-00/data/ceres_data/8cgl_16647/08_2025/8cgl_16647.cif" } default_model = "/net/cci-nas-00/data/ceres_data/8cgl_16647/08_2025/8cgl_16647.cif" real_map_files = "/net/cci-nas-00/data/ceres_data/8cgl_16647/08_2025/8cgl_16647.map" default_real_map = "/net/cci-nas-00/data/ceres_data/8cgl_16647/08_2025/8cgl_16647.map" } resolution = 4.1 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.002 sd= 0.035 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Anisotropic ADP refinement not supported. Converting 10812 atoms to isotropic. 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 6728 2.51 5 N 2216 2.21 5 O 2216 1.98 5 H 5572 0.53 5 sf(0) = scattering factor at diffraction angle 0. Process input model Monomer Library directory: "/net/cci-filer3/home/dcliebschner/04_cryoem/phenix-2.0-5787/lib/python3.9/site-packages/chem_data/mon_lib" Total number of atoms: 16732 Number of models: 1 Model: "" Number of chains: 1 Chain: "A" Number of atoms: 4183 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 553, 4179 Classifications: {'peptide': 553} Link IDs: {'PTRANS': 23, 'TRANS': 529} Unresolved non-hydrogen bonds: 1609 Unresolved non-hydrogen angles: 2038 Unresolved non-hydrogen dihedrals: 1332 Unresolved non-hydrogen chiralities: 160 Planarities with less than four sites: {'GLU:plan': 36, 'ASN:plan1': 22, 'ASP:plan': 24, 'PHE:plan': 26, 'HIS:plan': 23, 'GLN:plan1': 19, 'TYR:plan': 18, 'ARG:plan': 16} Unresolved non-hydrogen planarities: 835 Conformer: "B" Number of residues, atoms: 553, 4179 Classifications: {'peptide': 553} Link IDs: {'PTRANS': 23, 'TRANS': 529} Unresolved non-hydrogen bonds: 1609 Unresolved non-hydrogen angles: 2038 Unresolved non-hydrogen dihedrals: 1332 Unresolved non-hydrogen chiralities: 160 Planarities with less than four sites: {'GLU:plan': 36, 'ASN:plan1': 22, 'ASP:plan': 24, 'PHE:plan': 26, 'HIS:plan': 23, 'GLN:plan1': 19, 'TYR:plan': 18, 'ARG:plan': 16} Unresolved non-hydrogen planarities: 835 bond proxies already assigned to first conformer: 4199 Restraints were copied for chains: B, C, D Residues with excluded nonbonded symmetry interactions: 4 residue: pdb=" N SER A 599 " occ=0.51 ... (5 atoms not shown) pdb=" HA SER A 599 " occ=0.51 residue: pdb=" N SER B 599 " occ=0.51 ... (5 atoms not shown) pdb=" HA SER B 599 " occ=0.51 residue: pdb=" N SER C 599 " occ=0.51 ... (5 atoms not shown) pdb=" HA SER C 599 " occ=0.51 residue: pdb=" N SER D 599 " occ=0.51 ... (5 atoms not shown) pdb=" HA SER D 599 " occ=0.51 Time building chain proxies: 5.04, per 1000 atoms: 0.30 Number of scatterers: 16732 At special positions: 0 Unit cell: (182.49, 94.01, 107.282, 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 2216 8.00 N 2216 7.00 C 6728 6.00 H 5572 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 - 3.00 Amino acid : True - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 1.67 Conformation dependent library (CDL) restraints added in 1.3 seconds Enol-peptide restraints added in 1.4 microseconds 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 4120 Finding SS restraints... Secondary structure from input PDB file: 88 helices and 20 sheets defined 42.9% alpha, 17.4% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 0.84 Creating SS restraints... Processing helix chain 'A' and resid 191 through 197 removed outlier: 3.718A pdb=" N HIS A 195 " --> pdb=" O PHE A 191 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N GLN A 196 " --> pdb=" O SER A 192 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ILE A 197 " --> pdb=" O TYR A 193 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 191 through 197' Processing helix chain 'A' and resid 210 through 215 Processing helix chain 'A' and resid 215 through 221 removed outlier: 4.674A pdb=" N TYR A 219 " --> pdb=" O GLY A 215 " (cutoff:3.500A) Processing helix chain 'A' and resid 231 through 246 Processing helix chain 'A' and resid 247 through 254 Processing helix chain 'A' and resid 313 through 324 removed outlier: 4.108A pdb=" N LEU A 317 " --> pdb=" O ASP A 313 " (cutoff:3.500A) Processing helix chain 'A' and resid 343 through 346 Processing helix chain 'A' and resid 347 through 358 Processing helix chain 'A' and resid 370 through 384 Processing helix chain 'A' and resid 392 through 406 Processing helix chain 'A' and resid 411 through 413 No H-bonds generated for 'chain 'A' and resid 411 through 413' Processing helix chain 'A' and resid 417 through 424 removed outlier: 4.450A pdb=" N ALA A 422 " --> pdb=" O ASN A 419 " (cutoff:3.500A) Processing helix chain 'A' and resid 425 through 427 No H-bonds generated for 'chain 'A' and resid 425 through 427' Processing helix chain 'A' and resid 440 through 450 removed outlier: 4.026A pdb=" N LEU A 444 " --> pdb=" O THR A 440 " (cutoff:3.500A) Processing helix chain 'A' and resid 473 through 487 Processing helix chain 'A' and resid 506 through 518 Processing helix chain 'A' and resid 528 through 542 Processing helix chain 'A' and resid 545 through 549 Processing helix chain 'A' and resid 588 through 599 Processing helix chain 'A' and resid 629 through 650 Proline residue: A 635 - end of helix Processing helix chain 'A' and resid 652 through 658 Processing helix chain 'A' and resid 658 through 678 Processing helix chain 'B' and resid 191 through 197 removed outlier: 3.718A pdb=" N HIS B 195 " --> pdb=" O PHE B 191 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N GLN B 196 " --> pdb=" O SER B 192 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N ILE B 197 " --> pdb=" O TYR B 193 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 191 through 197' Processing helix chain 'B' and resid 210 through 215 Processing helix chain 'B' and resid 215 through 221 removed outlier: 4.674A pdb=" N TYR B 219 " --> pdb=" O GLY B 215 " (cutoff:3.500A) Processing helix chain 'B' and resid 231 through 246 Processing helix chain 'B' and resid 247 through 254 Processing helix chain 'B' and resid 313 through 324 removed outlier: 4.107A pdb=" N LEU B 317 " --> pdb=" O ASP B 313 " (cutoff:3.500A) Processing helix chain 'B' and resid 343 through 346 Processing helix chain 'B' and resid 347 through 358 Processing helix chain 'B' and resid 370 through 384 Processing helix chain 'B' and resid 392 through 406 Processing helix chain 'B' and resid 411 through 413 No H-bonds generated for 'chain 'B' and resid 411 through 413' Processing helix chain 'B' and resid 417 through 424 removed outlier: 4.449A pdb=" N ALA B 422 " --> pdb=" O ASN B 419 " (cutoff:3.500A) Processing helix chain 'B' and resid 425 through 427 No H-bonds generated for 'chain 'B' and resid 425 through 427' Processing helix chain 'B' and resid 440 through 450 removed outlier: 4.026A pdb=" N LEU B 444 " --> pdb=" O THR B 440 " (cutoff:3.500A) Processing helix chain 'B' and resid 473 through 487 Processing helix chain 'B' and resid 506 through 518 Processing helix chain 'B' and resid 528 through 542 Processing helix chain 'B' and resid 545 through 549 Processing helix chain 'B' and resid 588 through 599 Processing helix chain 'B' and resid 629 through 650 Proline residue: B 635 - end of helix Processing helix chain 'B' and resid 652 through 658 Processing helix chain 'B' and resid 658 through 678 Processing helix chain 'C' and resid 191 through 197 removed outlier: 3.718A pdb=" N HIS C 195 " --> pdb=" O PHE C 191 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N GLN C 196 " --> pdb=" O SER C 192 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N ILE C 197 " --> pdb=" O TYR C 193 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 191 through 197' Processing helix chain 'C' and resid 210 through 215 Processing helix chain 'C' and resid 215 through 221 removed outlier: 4.674A pdb=" N TYR C 219 " --> pdb=" O GLY C 215 " (cutoff:3.500A) Processing helix chain 'C' and resid 231 through 246 Processing helix chain 'C' and resid 247 through 254 Processing helix chain 'C' and resid 313 through 324 removed outlier: 4.107A pdb=" N LEU C 317 " --> pdb=" O ASP C 313 " (cutoff:3.500A) Processing helix chain 'C' and resid 343 through 346 Processing helix chain 'C' and resid 347 through 358 Processing helix chain 'C' and resid 370 through 384 Processing helix chain 'C' and resid 392 through 406 Processing helix chain 'C' and resid 411 through 413 No H-bonds generated for 'chain 'C' and resid 411 through 413' Processing helix chain 'C' and resid 417 through 424 removed outlier: 4.450A pdb=" N ALA C 422 " --> pdb=" O ASN C 419 " (cutoff:3.500A) Processing helix chain 'C' and resid 425 through 427 No H-bonds generated for 'chain 'C' and resid 425 through 427' Processing helix chain 'C' and resid 440 through 450 removed outlier: 4.025A pdb=" N LEU C 444 " --> pdb=" O THR C 440 " (cutoff:3.500A) Processing helix chain 'C' and resid 473 through 487 Processing helix chain 'C' and resid 506 through 518 Processing helix chain 'C' and resid 528 through 542 Processing helix chain 'C' and resid 545 through 549 Processing helix chain 'C' and resid 588 through 599 Processing helix chain 'C' and resid 629 through 650 Proline residue: C 635 - end of helix Processing helix chain 'C' and resid 652 through 658 Processing helix chain 'C' and resid 658 through 678 Processing helix chain 'D' and resid 191 through 197 removed outlier: 3.718A pdb=" N HIS D 195 " --> pdb=" O PHE D 191 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N GLN D 196 " --> pdb=" O SER D 192 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ILE D 197 " --> pdb=" O TYR D 193 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 191 through 197' Processing helix chain 'D' and resid 210 through 215 Processing helix chain 'D' and resid 215 through 221 removed outlier: 4.675A pdb=" N TYR D 219 " --> pdb=" O GLY D 215 " (cutoff:3.500A) Processing helix chain 'D' and resid 231 through 246 Processing helix chain 'D' and resid 247 through 254 Processing helix chain 'D' and resid 313 through 324 removed outlier: 4.108A pdb=" N LEU D 317 " --> pdb=" O ASP D 313 " (cutoff:3.500A) Processing helix chain 'D' and resid 343 through 346 Processing helix chain 'D' and resid 347 through 358 Processing helix chain 'D' and resid 370 through 384 Processing helix chain 'D' and resid 392 through 406 Processing helix chain 'D' and resid 411 through 413 No H-bonds generated for 'chain 'D' and resid 411 through 413' Processing helix chain 'D' and resid 417 through 424 removed outlier: 4.450A pdb=" N ALA D 422 " --> pdb=" O ASN D 419 " (cutoff:3.500A) Processing helix chain 'D' and resid 425 through 427 No H-bonds generated for 'chain 'D' and resid 425 through 427' Processing helix chain 'D' and resid 440 through 450 removed outlier: 4.025A pdb=" N LEU D 444 " --> pdb=" O THR D 440 " (cutoff:3.500A) Processing helix chain 'D' and resid 473 through 487 Processing helix chain 'D' and resid 506 through 518 Processing helix chain 'D' and resid 528 through 542 Processing helix chain 'D' and resid 545 through 549 Processing helix chain 'D' and resid 588 through 599 Processing helix chain 'D' and resid 629 through 650 Proline residue: D 635 - end of helix Processing helix chain 'D' and resid 652 through 658 Processing helix chain 'D' and resid 658 through 678 Processing sheet with id=AA1, first strand: chain 'A' and resid 228 through 229 removed outlier: 6.762A pdb=" N TYR A 229 " --> pdb=" O ALA A 202 " (cutoff:3.500A) removed outlier: 5.650A pdb=" N ILE A 204 " --> pdb=" O TYR A 229 " (cutoff:3.500A) removed outlier: 7.828A pdb=" N ALA A 167 " --> pdb=" O ALA A 202 " (cutoff:3.500A) removed outlier: 6.950A pdb=" N ILE A 204 " --> pdb=" O ALA A 167 " (cutoff:3.500A) removed outlier: 6.336A pdb=" N VAL A 169 " --> pdb=" O ILE A 204 " (cutoff:3.500A) removed outlier: 5.621A pdb=" N MET A 158 " --> pdb=" O LEU A 148 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N VAL A 160 " --> pdb=" O THR A 146 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N ASP A 556 " --> pdb=" O PRO A 147 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N GLY A 569 " --> pdb=" O GLN A 557 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N GLU A 559 " --> pdb=" O LYS A 567 " (cutoff:3.500A) removed outlier: 5.576A pdb=" N LYS A 567 " --> pdb=" O GLU A 559 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'A' and resid 187 through 189 Processing sheet with id=AA3, first strand: chain 'A' and resid 262 through 264 removed outlier: 6.587A pdb=" N THR A 293 " --> pdb=" O LEU A 327 " (cutoff:3.500A) removed outlier: 8.234A pdb=" N LEU A 329 " --> pdb=" O THR A 293 " (cutoff:3.500A) removed outlier: 6.275A pdb=" N ILE A 295 " --> pdb=" O LEU A 329 " (cutoff:3.500A) removed outlier: 6.014A pdb=" N LEU A 328 " --> pdb=" O LEU A 523 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'A' and resid 415 through 416 removed outlier: 6.043A pdb=" N ILE A 388 " --> pdb=" O ILE A 416 " (cutoff:3.500A) removed outlier: 5.722A pdb=" N LYS A 387 " --> pdb=" O LEU A 430 " (cutoff:3.500A) removed outlier: 7.188A pdb=" N VAL A 432 " --> pdb=" O LYS A 387 " (cutoff:3.500A) removed outlier: 6.256A pdb=" N ALA A 389 " --> pdb=" O VAL A 432 " (cutoff:3.500A) removed outlier: 6.377A pdb=" N ILE A 363 " --> pdb=" O ILE A 464 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'A' and resid 616 through 625 removed outlier: 7.210A pdb=" N PHE A 608 " --> pdb=" O LEU A 617 " (cutoff:3.500A) removed outlier: 7.014A pdb=" N SER A 619 " --> pdb=" O THR A 606 " (cutoff:3.500A) removed outlier: 7.356A pdb=" N THR A 606 " --> pdb=" O SER A 619 " (cutoff:3.500A) removed outlier: 7.032A pdb=" N GLN A 621 " --> pdb=" O ALA A 604 " (cutoff:3.500A) removed outlier: 6.992A pdb=" N ALA A 604 " --> pdb=" O GLN A 621 " (cutoff:3.500A) removed outlier: 6.769A pdb=" N SER A 623 " --> pdb=" O VAL A 602 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N VAL A 602 " --> pdb=" O SER A 623 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N HIS A 689 " --> pdb=" O ILE A 607 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'B' and resid 228 through 229 removed outlier: 6.761A pdb=" N TYR B 229 " --> pdb=" O ALA B 202 " (cutoff:3.500A) removed outlier: 5.650A pdb=" N ILE B 204 " --> pdb=" O TYR B 229 " (cutoff:3.500A) removed outlier: 7.828A pdb=" N ALA B 167 " --> pdb=" O ALA B 202 " (cutoff:3.500A) removed outlier: 6.949A pdb=" N ILE B 204 " --> pdb=" O ALA B 167 " (cutoff:3.500A) removed outlier: 6.336A pdb=" N VAL B 169 " --> pdb=" O ILE B 204 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N MET B 158 " --> pdb=" O LEU B 148 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N VAL B 160 " --> pdb=" O THR B 146 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N ASP B 556 " --> pdb=" O PRO B 147 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N GLY B 569 " --> pdb=" O GLN B 557 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N GLU B 559 " --> pdb=" O LYS B 567 " (cutoff:3.500A) removed outlier: 5.576A pdb=" N LYS B 567 " --> pdb=" O GLU B 559 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'B' and resid 187 through 189 Processing sheet with id=AA8, first strand: chain 'B' and resid 262 through 264 removed outlier: 6.587A pdb=" N THR B 293 " --> pdb=" O LEU B 327 " (cutoff:3.500A) removed outlier: 8.235A pdb=" N LEU B 329 " --> pdb=" O THR B 293 " (cutoff:3.500A) removed outlier: 6.275A pdb=" N ILE B 295 " --> pdb=" O LEU B 329 " (cutoff:3.500A) removed outlier: 6.015A pdb=" N LEU B 328 " --> pdb=" O LEU B 523 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'B' and resid 415 through 416 removed outlier: 6.042A pdb=" N ILE B 388 " --> pdb=" O ILE B 416 " (cutoff:3.500A) removed outlier: 5.721A pdb=" N LYS B 387 " --> pdb=" O LEU B 430 " (cutoff:3.500A) removed outlier: 7.188A pdb=" N VAL B 432 " --> pdb=" O LYS B 387 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA B 389 " --> pdb=" O VAL B 432 " (cutoff:3.500A) removed outlier: 6.377A pdb=" N ILE B 363 " --> pdb=" O ILE B 464 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'B' and resid 616 through 625 removed outlier: 7.210A pdb=" N PHE B 608 " --> pdb=" O LEU B 617 " (cutoff:3.500A) removed outlier: 7.014A pdb=" N SER B 619 " --> pdb=" O THR B 606 " (cutoff:3.500A) removed outlier: 7.356A pdb=" N THR B 606 " --> pdb=" O SER B 619 " (cutoff:3.500A) removed outlier: 7.032A pdb=" N GLN B 621 " --> pdb=" O ALA B 604 " (cutoff:3.500A) removed outlier: 6.991A pdb=" N ALA B 604 " --> pdb=" O GLN B 621 " (cutoff:3.500A) removed outlier: 6.769A pdb=" N SER B 623 " --> pdb=" O VAL B 602 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N VAL B 602 " --> pdb=" O SER B 623 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N HIS B 689 " --> pdb=" O ILE B 607 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'C' and resid 228 through 229 removed outlier: 6.762A pdb=" N TYR C 229 " --> pdb=" O ALA C 202 " (cutoff:3.500A) removed outlier: 5.650A pdb=" N ILE C 204 " --> pdb=" O TYR C 229 " (cutoff:3.500A) removed outlier: 7.827A pdb=" N ALA C 167 " --> pdb=" O ALA C 202 " (cutoff:3.500A) removed outlier: 6.950A pdb=" N ILE C 204 " --> pdb=" O ALA C 167 " (cutoff:3.500A) removed outlier: 6.335A pdb=" N VAL C 169 " --> pdb=" O ILE C 204 " (cutoff:3.500A) removed outlier: 5.622A pdb=" N MET C 158 " --> pdb=" O LEU C 148 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N VAL C 160 " --> pdb=" O THR C 146 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N ASP C 556 " --> pdb=" O PRO C 147 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N GLY C 569 " --> pdb=" O GLN C 557 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N GLU C 559 " --> pdb=" O LYS C 567 " (cutoff:3.500A) removed outlier: 5.577A pdb=" N LYS C 567 " --> pdb=" O GLU C 559 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'C' and resid 187 through 189 Processing sheet with id=AB4, first strand: chain 'C' and resid 262 through 264 removed outlier: 6.586A pdb=" N THR C 293 " --> pdb=" O LEU C 327 " (cutoff:3.500A) removed outlier: 8.234A pdb=" N LEU C 329 " --> pdb=" O THR C 293 " (cutoff:3.500A) removed outlier: 6.275A pdb=" N ILE C 295 " --> pdb=" O LEU C 329 " (cutoff:3.500A) removed outlier: 6.014A pdb=" N LEU C 328 " --> pdb=" O LEU C 523 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'C' and resid 415 through 416 removed outlier: 6.042A pdb=" N ILE C 388 " --> pdb=" O ILE C 416 " (cutoff:3.500A) removed outlier: 5.721A pdb=" N LYS C 387 " --> pdb=" O LEU C 430 " (cutoff:3.500A) removed outlier: 7.188A pdb=" N VAL C 432 " --> pdb=" O LYS C 387 " (cutoff:3.500A) removed outlier: 6.256A pdb=" N ALA C 389 " --> pdb=" O VAL C 432 " (cutoff:3.500A) removed outlier: 6.377A pdb=" N ILE C 363 " --> pdb=" O ILE C 464 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'C' and resid 616 through 625 removed outlier: 7.210A pdb=" N PHE C 608 " --> pdb=" O LEU C 617 " (cutoff:3.500A) removed outlier: 7.013A pdb=" N SER C 619 " --> pdb=" O THR C 606 " (cutoff:3.500A) removed outlier: 7.356A pdb=" N THR C 606 " --> pdb=" O SER C 619 " (cutoff:3.500A) removed outlier: 7.032A pdb=" N GLN C 621 " --> pdb=" O ALA C 604 " (cutoff:3.500A) removed outlier: 6.992A pdb=" N ALA C 604 " --> pdb=" O GLN C 621 " (cutoff:3.500A) removed outlier: 6.769A pdb=" N SER C 623 " --> pdb=" O VAL C 602 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N VAL C 602 " --> pdb=" O SER C 623 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N HIS C 689 " --> pdb=" O ILE C 607 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'D' and resid 228 through 229 removed outlier: 6.762A pdb=" N TYR D 229 " --> pdb=" O ALA D 202 " (cutoff:3.500A) removed outlier: 5.650A pdb=" N ILE D 204 " --> pdb=" O TYR D 229 " (cutoff:3.500A) removed outlier: 7.828A pdb=" N ALA D 167 " --> pdb=" O ALA D 202 " (cutoff:3.500A) removed outlier: 6.950A pdb=" N ILE D 204 " --> pdb=" O ALA D 167 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N VAL D 169 " --> pdb=" O ILE D 204 " (cutoff:3.500A) removed outlier: 5.621A pdb=" N MET D 158 " --> pdb=" O LEU D 148 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N VAL D 160 " --> pdb=" O THR D 146 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N ASP D 556 " --> pdb=" O PRO D 147 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N GLY D 569 " --> pdb=" O GLN D 557 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N GLU D 559 " --> pdb=" O LYS D 567 " (cutoff:3.500A) removed outlier: 5.577A pdb=" N LYS D 567 " --> pdb=" O GLU D 559 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'D' and resid 187 through 189 Processing sheet with id=AB9, first strand: chain 'D' and resid 262 through 264 removed outlier: 6.586A pdb=" N THR D 293 " --> pdb=" O LEU D 327 " (cutoff:3.500A) removed outlier: 8.235A pdb=" N LEU D 329 " --> pdb=" O THR D 293 " (cutoff:3.500A) removed outlier: 6.275A pdb=" N ILE D 295 " --> pdb=" O LEU D 329 " (cutoff:3.500A) removed outlier: 6.013A pdb=" N LEU D 328 " --> pdb=" O LEU D 523 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'D' and resid 415 through 416 removed outlier: 6.042A pdb=" N ILE D 388 " --> pdb=" O ILE D 416 " (cutoff:3.500A) removed outlier: 5.722A pdb=" N LYS D 387 " --> pdb=" O LEU D 430 " (cutoff:3.500A) removed outlier: 7.188A pdb=" N VAL D 432 " --> pdb=" O LYS D 387 " (cutoff:3.500A) removed outlier: 6.256A pdb=" N ALA D 389 " --> pdb=" O VAL D 432 " (cutoff:3.500A) removed outlier: 6.377A pdb=" N ILE D 363 " --> pdb=" O ILE D 464 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'D' and resid 616 through 625 removed outlier: 7.210A pdb=" N PHE D 608 " --> pdb=" O LEU D 617 " (cutoff:3.500A) removed outlier: 7.014A pdb=" N SER D 619 " --> pdb=" O THR D 606 " (cutoff:3.500A) removed outlier: 7.356A pdb=" N THR D 606 " --> pdb=" O SER D 619 " (cutoff:3.500A) removed outlier: 7.032A pdb=" N GLN D 621 " --> pdb=" O ALA D 604 " (cutoff:3.500A) removed outlier: 6.992A pdb=" N ALA D 604 " --> pdb=" O GLN D 621 " (cutoff:3.500A) removed outlier: 6.769A pdb=" N SER D 623 " --> pdb=" O VAL D 602 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N VAL D 602 " --> pdb=" O SER D 623 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N HIS D 689 " --> pdb=" O ILE D 607 " (cutoff:3.500A) 768 hydrogen bonds defined for protein. 2088 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: 3.65 Time building geometry restraints manager: 2.20 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 0.84 - 0.98: 5564 0.98 - 1.12: 8 1.12 - 1.26: 2200 1.26 - 1.41: 2281 1.41 - 1.55: 6783 Bond restraints: 16836 Sorted by residual: bond pdb=" C LEU D 636 " pdb=" O LEU D 636 " ideal model delta sigma weight residual 1.236 1.299 -0.063 1.16e-02 7.43e+03 2.92e+01 bond pdb=" C LEU C 636 " pdb=" O LEU C 636 " ideal model delta sigma weight residual 1.236 1.298 -0.062 1.16e-02 7.43e+03 2.89e+01 bond pdb=" C LEU B 636 " pdb=" O LEU B 636 " ideal model delta sigma weight residual 1.236 1.298 -0.062 1.16e-02 7.43e+03 2.88e+01 bond pdb=" C LEU A 636 " pdb=" O LEU A 636 " ideal model delta sigma weight residual 1.236 1.298 -0.062 1.16e-02 7.43e+03 2.87e+01 bond pdb=" C LYS A 255 " pdb=" O LYS A 255 " ideal model delta sigma weight residual 1.235 1.293 -0.059 1.21e-02 6.83e+03 2.35e+01 ... (remaining 16831 not shown) Histogram of bond angle deviations from ideal: 0.00 - 1.61: 24259 1.61 - 3.21: 4441 3.21 - 4.82: 556 4.82 - 6.42: 104 6.42 - 8.03: 32 Bond angle restraints: 29392 Sorted by residual: angle pdb=" CA BLYS B 255 " pdb=" C LYS B 255 " pdb=" N ILE B 256 " ideal model delta sigma weight residual 116.33 108.84 7.49 1.32e+00 5.74e-01 3.22e+01 angle pdb=" CA BLYS A 255 " pdb=" C LYS A 255 " pdb=" N ILE A 256 " ideal model delta sigma weight residual 116.33 108.86 7.47 1.32e+00 5.74e-01 3.20e+01 angle pdb=" CA BLYS C 255 " pdb=" C LYS C 255 " pdb=" N ILE C 256 " ideal model delta sigma weight residual 116.33 108.87 7.46 1.32e+00 5.74e-01 3.20e+01 angle pdb=" CA BLYS D 255 " pdb=" C LYS D 255 " pdb=" N ILE D 256 " ideal model delta sigma weight residual 116.33 108.87 7.46 1.32e+00 5.74e-01 3.20e+01 angle pdb=" CA ALYS B 255 " pdb=" C LYS B 255 " pdb=" N ILE B 256 " ideal model delta sigma weight residual 116.33 108.89 7.44 1.32e+00 5.74e-01 3.18e+01 ... (remaining 29387 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 11.89: 8752 11.89 - 23.77: 246 23.77 - 35.66: 138 35.66 - 47.55: 72 47.55 - 59.44: 112 Dihedral angle restraints: 9320 sinusoidal: 2940 harmonic: 6380 Sorted by residual: dihedral pdb=" CA HIS D 208 " pdb=" C HIS D 208 " pdb=" N ALA D 209 " pdb=" CA ALA D 209 " ideal model delta harmonic sigma weight residual 180.00 156.20 23.80 0 5.00e+00 4.00e-02 2.27e+01 dihedral pdb=" CA HIS A 208 " pdb=" C HIS A 208 " pdb=" N ALA A 209 " pdb=" CA ALA A 209 " ideal model delta harmonic sigma weight residual 180.00 156.22 23.78 0 5.00e+00 4.00e-02 2.26e+01 dihedral pdb=" CA HIS B 208 " pdb=" C HIS B 208 " pdb=" N ALA B 209 " pdb=" CA ALA B 209 " ideal model delta harmonic sigma weight residual 180.00 156.23 23.77 0 5.00e+00 4.00e-02 2.26e+01 ... (remaining 9317 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.059: 1506 0.059 - 0.118: 364 0.118 - 0.177: 123 0.177 - 0.236: 55 0.236 - 0.295: 12 Chirality restraints: 2060 Sorted by residual: chirality pdb=" CA GLU D 271 " pdb=" N GLU D 271 " pdb=" C GLU D 271 " pdb=" CB GLU D 271 " both_signs ideal model delta sigma weight residual False 2.51 2.81 -0.30 2.00e-01 2.50e+01 2.18e+00 chirality pdb=" CA GLU A 271 " pdb=" N GLU A 271 " pdb=" C GLU A 271 " pdb=" CB GLU A 271 " both_signs ideal model delta sigma weight residual False 2.51 2.81 -0.29 2.00e-01 2.50e+01 2.17e+00 chirality pdb=" CA GLU B 271 " pdb=" N GLU B 271 " pdb=" C GLU B 271 " pdb=" CB GLU B 271 " both_signs ideal model delta sigma weight residual False 2.51 2.80 -0.29 2.00e-01 2.50e+01 2.15e+00 ... (remaining 2057 not shown) Planarity restraints: 4432 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C LYS C 255 " -0.111 2.00e-02 2.50e+03 6.42e-02 4.13e+01 pdb=" O LYS C 255 " 0.043 2.00e-02 2.50e+03 pdb=" CA BLYS C 255 " 0.032 2.00e-02 2.50e+03 pdb=" N ILE C 256 " 0.035 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C LYS A 255 " 0.111 2.00e-02 2.50e+03 6.41e-02 4.11e+01 pdb=" O LYS A 255 " -0.043 2.00e-02 2.50e+03 pdb=" CA BLYS A 255 " -0.032 2.00e-02 2.50e+03 pdb=" N ILE A 256 " -0.035 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C LYS C 255 " -0.111 2.00e-02 2.50e+03 6.41e-02 4.11e+01 pdb=" O LYS C 255 " 0.043 2.00e-02 2.50e+03 pdb=" CA ALYS C 255 " 0.032 2.00e-02 2.50e+03 pdb=" N ILE C 256 " 0.035 2.00e-02 2.50e+03 ... (remaining 4429 not shown) Histogram of nonbonded interaction distances: 1.59 - 2.17: 508 2.17 - 2.76: 22017 2.76 - 3.34: 31898 3.34 - 3.92: 34456 3.92 - 4.50: 49158 Nonbonded interactions: 138037 Sorted by model distance: nonbonded pdb=" O GLY D 555 " pdb=" H ILE D 571 " model vdw 1.592 2.450 nonbonded pdb=" O GLY C 555 " pdb=" H ILE C 571 " model vdw 1.592 2.450 nonbonded pdb=" O GLY A 555 " pdb=" H ILE A 571 " model vdw 1.593 2.450 nonbonded pdb=" O GLY B 555 " pdb=" H ILE B 571 " model vdw 1.593 2.450 nonbonded pdb=" O LEU B 228 " pdb=" H ALYS B 255 " model vdw 1.660 2.450 ... (remaining 138032 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Time spend for trying shortcut: 0.03 Found NCS groups: ncs_group { reference = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=0.29 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: 1.270 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.050 Construct map_model_manager: 0.150 Extract box with map and model: 0.240 Check model and map are aligned: 0.070 Set scattering table: 0.050 Process input model: 20.040 Find NCS groups from input model: 0.110 Set up NCS constraints: 0.020 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:1.030 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 23.030 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6752 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.008 0.063 11264 Z= 0.597 Angle : 1.065 8.027 15752 Z= 0.788 Chirality : 0.068 0.295 2060 Planarity : 0.006 0.064 2312 Dihedral : 5.624 49.712 2512 Min Nonbonded Distance : 2.345 Molprobity Statistics. All-atom Clashscore : 9.85 Ramachandran Plot: Outliers : 0.18 % Allowed : 6.99 % Favored : 92.83 % Rotamer: Outliers : 4.00 % Allowed : 4.00 % Favored : 92.00 % Cbeta Deviations : 0.19 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they aren not related in a simple way. whole: -0.82 (0.18), residues: 2208 helix: 0.46 (0.19), residues: 712 sheet: 0.26 (0.27), residues: 376 loop : -1.52 (0.18), residues: 1120 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.001 0.000 TYR D 193 PHE 0.000 0.000 PHE A 176 TRP 0.016 0.004 TRP A 272 Details of bonding type rmsd covalent geometry : bond 0.00784 (11264) covalent geometry : angle 1.06510 (15752) hydrogen bonds : bond 0.18942 ( 768) hydrogen bonds : angle 7.60871 ( 2088) *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Evaluate side-chains 52 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 4 poor density : 48 time to evaluate : 0.480 Fit side-chains outliers start: 4 outliers final: 4 residues processed: 52 average time/residue: 0.0845 time to fit residues: 8.3640 Evaluate side-chains 52 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 4 poor density : 48 time to evaluate : 0.417 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 216 optimal weight: 7.9990 chunk 98 optimal weight: 2.9990 chunk 194 optimal weight: 40.0000 chunk 107 optimal weight: 30.0000 chunk 10 optimal weight: 20.0000 chunk 66 optimal weight: 3.9990 chunk 130 optimal weight: 0.0070 chunk 124 optimal weight: 7.9990 chunk 103 optimal weight: 50.0000 chunk 200 optimal weight: 30.0000 chunk 212 optimal weight: 30.0000 overall best weight: 4.6006 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3715 r_free = 0.3715 target = 0.060304 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 38)----------------| | r_work = 0.3419 r_free = 0.3419 target = 0.044153 restraints weight = 535153.603| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 26)----------------| | r_work = 0.3436 r_free = 0.3436 target = 0.044680 restraints weight = 475551.493| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 31)----------------| | r_work = 0.3443 r_free = 0.3443 target = 0.045012 restraints weight = 406232.531| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 4; iterations = 24)----------------| | r_work = 0.3448 r_free = 0.3448 target = 0.045205 restraints weight = 369625.851| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 5; iterations = 23)----------------| | r_work = 0.3453 r_free = 0.3453 target = 0.045400 restraints weight = 351082.991| |-----------------------------------------------------------------------------| r_work (final): 0.3411 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3411 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3411 r_free = 0.3411 target_work(ls_wunit_k1) = 0.046 | | occupancies: max = 1.00 min = 0.29 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3412 r_free = 0.3412 target_work(ls_wunit_k1) = 0.046 | | occupancies: max = 1.00 min = 0.28 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3412 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7785 moved from start: 0.1448 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.028 11264 Z= 0.177 Angle : 0.500 4.336 15752 Z= 0.285 Chirality : 0.049 0.144 2060 Planarity : 0.003 0.036 2312 Dihedral : 4.222 19.121 2220 Min Nonbonded Distance : 2.420 Molprobity Statistics. All-atom Clashscore : 2.69 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.90 % Favored : 96.10 % 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 values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they aren not related in a simple way. whole: -0.09 (0.18), residues: 2208 helix: 1.37 (0.20), residues: 736 sheet: -0.38 (0.24), residues: 428 loop : -0.93 (0.19), residues: 1044 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.010 0.001 TYR C 193 PHE 0.000 0.000 PHE A 176 TRP 0.019 0.005 TRP A 272 Details of bonding type rmsd covalent geometry : bond 0.00289 (11264) covalent geometry : angle 0.49992 (15752) hydrogen bonds : bond 0.04132 ( 768) hydrogen bonds : angle 5.51950 ( 2088) *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Evaluate side-chains 48 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 48 time to evaluate : 0.437 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 48 average time/residue: 0.0884 time to fit residues: 8.2427 Evaluate side-chains 48 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 48 time to evaluate : 0.527 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 180 optimal weight: 9.9990 chunk 94 optimal weight: 9.9990 chunk 219 optimal weight: 5.9990 chunk 12 optimal weight: 10.0000 chunk 85 optimal weight: 20.0000 chunk 25 optimal weight: 0.0870 chunk 52 optimal weight: 1.9990 chunk 158 optimal weight: 50.0000 chunk 194 optimal weight: 30.0000 chunk 214 optimal weight: 7.9990 chunk 215 optimal weight: 30.0000 overall best weight: 5.2166 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3628 r_free = 0.3628 target = 0.056263 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 43)----------------| | r_work = 0.3336 r_free = 0.3336 target = 0.040689 restraints weight = 497074.878| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 14)----------------| | r_work = 0.3341 r_free = 0.3341 target = 0.040897 restraints weight = 442920.893| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 24)----------------| | r_work = 0.3351 r_free = 0.3351 target = 0.041262 restraints weight = 407092.039| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 4; iterations = 42)----------------| | r_work = 0.3359 r_free = 0.3359 target = 0.041547 restraints weight = 370425.376| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 5; iterations = 14)----------------| | r_work = 0.3361 r_free = 0.3361 target = 0.041644 restraints weight = 351254.962| |-----------------------------------------------------------------------------| r_work (final): 0.3319 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3320 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3320 r_free = 0.3320 target_work(ls_wunit_k1) = 0.042 | | occupancies: max = 1.00 min = 0.28 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3319 r_free = 0.3319 target_work(ls_wunit_k1) = 0.042 | | occupancies: max = 1.00 min = 0.27 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3319 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7957 moved from start: 0.2852 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.059 11264 Z= 0.203 Angle : 0.503 4.323 15752 Z= 0.290 Chirality : 0.048 0.140 2060 Planarity : 0.004 0.035 2312 Dihedral : 3.908 15.857 2220 Min Nonbonded Distance : 2.471 Molprobity Statistics. All-atom Clashscore : 1.91 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.81 % Favored : 95.19 % 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 values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they aren not related in a simple way. whole: 0.05 (0.18), residues: 2208 helix: 1.52 (0.18), residues: 760 sheet: -0.53 (0.23), residues: 492 loop : -0.83 (0.20), residues: 956 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.022 0.002 TYR D 193 PHE 0.000 0.000 PHE A 176 TRP 0.008 0.003 TRP B 272 Details of bonding type rmsd covalent geometry : bond 0.00303 (11264) covalent geometry : angle 0.50266 (15752) hydrogen bonds : bond 0.03732 ( 768) hydrogen bonds : angle 5.03236 ( 2088) *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Evaluate side-chains 48 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 48 time to evaluate : 0.548 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 48 average time/residue: 0.0878 time to fit residues: 8.3030 Evaluate side-chains 48 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 48 time to evaluate : 0.526 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 191 optimal weight: 9.9990 chunk 38 optimal weight: 0.5980 chunk 25 optimal weight: 40.0000 chunk 141 optimal weight: 20.0000 chunk 162 optimal weight: 0.6980 chunk 7 optimal weight: 9.9990 chunk 65 optimal weight: 20.0000 chunk 80 optimal weight: 40.0000 chunk 76 optimal weight: 2.9990 chunk 157 optimal weight: 0.0570 chunk 5 optimal weight: 10.0000 overall best weight: 2.8702 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3625 r_free = 0.3625 target = 0.056696 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 26)----------------| | r_work = 0.3335 r_free = 0.3335 target = 0.041139 restraints weight = 465112.056| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 29)----------------| | r_work = 0.3346 r_free = 0.3346 target = 0.041471 restraints weight = 422549.492| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 39)----------------| | r_work = 0.3347 r_free = 0.3347 target = 0.041571 restraints weight = 380985.606| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 4; iterations = 25)----------------| | r_work = 0.3351 r_free = 0.3351 target = 0.041743 restraints weight = 368444.493| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 5; iterations = 19)----------------| | r_work = 0.3355 r_free = 0.3355 target = 0.041893 restraints weight = 349806.370| |-----------------------------------------------------------------------------| r_work (final): 0.3306 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3306 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3306 r_free = 0.3306 target_work(ls_wunit_k1) = 0.042 | | occupancies: max = 1.00 min = 0.27 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3306 r_free = 0.3306 target_work(ls_wunit_k1) = 0.042 | | occupancies: max = 1.00 min = 0.26 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3306 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7967 moved from start: 0.3321 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.031 11264 Z= 0.115 Angle : 0.431 4.272 15752 Z= 0.232 Chirality : 0.048 0.130 2060 Planarity : 0.003 0.033 2312 Dihedral : 3.376 13.405 2220 Min Nonbonded Distance : 2.465 Molprobity Statistics. All-atom Clashscore : 0.36 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.04 % Favored : 95.96 % 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 values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they aren not related in a simple way. whole: 0.75 (0.18), residues: 2208 helix: 2.39 (0.19), residues: 760 sheet: -0.43 (0.23), residues: 484 loop : -0.51 (0.20), residues: 964 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.006 0.000 TYR C 193 PHE 0.000 0.000 PHE A 176 TRP 0.005 0.001 TRP A 272 Details of bonding type rmsd covalent geometry : bond 0.00194 (11264) covalent geometry : angle 0.43062 (15752) hydrogen bonds : bond 0.02849 ( 768) hydrogen bonds : angle 4.32925 ( 2088) *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Evaluate side-chains 48 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 48 time to evaluate : 0.568 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 48 average time/residue: 0.0861 time to fit residues: 8.1634 Evaluate side-chains 48 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 48 time to evaluate : 0.385 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 149 optimal weight: 10.0000 chunk 133 optimal weight: 10.0000 chunk 29 optimal weight: 30.0000 chunk 186 optimal weight: 0.9980 chunk 2 optimal weight: 20.0000 chunk 179 optimal weight: 20.0000 chunk 142 optimal weight: 10.0000 chunk 28 optimal weight: 0.0050 chunk 209 optimal weight: 20.0000 chunk 85 optimal weight: 20.0000 chunk 6 optimal weight: 30.0000 overall best weight: 6.2006 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3552 r_free = 0.3552 target = 0.052977 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 34)----------------| | r_work = 0.3202 r_free = 0.3202 target = 0.035699 restraints weight = 423277.052| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 31)----------------| | r_work = 0.3225 r_free = 0.3225 target = 0.036471 restraints weight = 316567.197| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 25)----------------| | r_work = 0.3244 r_free = 0.3244 target = 0.037092 restraints weight = 248064.657| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 4; iterations = 30)----------------| | r_work = 0.3256 r_free = 0.3256 target = 0.037508 restraints weight = 208397.556| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 5; iterations = 21)----------------| | r_work = 0.3262 r_free = 0.3262 target = 0.037744 restraints weight = 189623.446| |-----------------------------------------------------------------------------| r_work (final): 0.3210 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3210 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3210 r_free = 0.3210 target_work(ls_wunit_k1) = 0.039 | | occupancies: max = 1.00 min = 0.26 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3212 r_free = 0.3212 target_work(ls_wunit_k1) = 0.039 | | occupancies: max = 1.00 min = 0.21 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3212 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7796 moved from start: 0.4648 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.082 11264 Z= 0.222 Angle : 0.542 5.163 15752 Z= 0.318 Chirality : 0.048 0.141 2060 Planarity : 0.005 0.047 2312 Dihedral : 4.339 15.343 2220 Min Nonbonded Distance : 2.520 Molprobity Statistics. All-atom Clashscore : 4.30 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.03 % Favored : 92.97 % 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 values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they aren not related in a simple way. whole: 0.04 (0.18), residues: 2208 helix: 1.55 (0.18), residues: 732 sheet: -0.72 (0.23), residues: 484 loop : -0.67 (0.20), residues: 992 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.019 0.002 TYR C 193 PHE 0.000 0.000 PHE A 176 TRP 0.007 0.002 TRP B 272 Details of bonding type rmsd covalent geometry : bond 0.00365 (11264) covalent geometry : angle 0.54209 (15752) hydrogen bonds : bond 0.04273 ( 768) hydrogen bonds : angle 5.18054 ( 2088) *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Evaluate side-chains 46 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 46 time to evaluate : 0.448 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 46 average time/residue: 0.0842 time to fit residues: 7.6103 Evaluate side-chains 45 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 45 time to evaluate : 0.485 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 56 optimal weight: 7.9990 chunk 8 optimal weight: 0.0010 chunk 208 optimal weight: 50.0000 chunk 185 optimal weight: 9.9990 chunk 32 optimal weight: 20.0000 chunk 186 optimal weight: 9.9990 chunk 179 optimal weight: 6.9990 chunk 65 optimal weight: 20.0000 chunk 141 optimal weight: 6.9990 chunk 26 optimal weight: 9.9990 chunk 44 optimal weight: 10.0000 overall best weight: 6.3994 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3617 r_free = 0.3617 target = 0.054844 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 32)----------------| | r_work = 0.3238 r_free = 0.3238 target = 0.040030 restraints weight = 487488.117| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 32)----------------| | r_work = 0.3268 r_free = 0.3268 target = 0.040887 restraints weight = 346587.916| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 36)----------------| | r_work = 0.3285 r_free = 0.3285 target = 0.041547 restraints weight = 276490.638| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 4; iterations = 20)----------------| | r_work = 0.3296 r_free = 0.3296 target = 0.041845 restraints weight = 233351.265| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 5; iterations = 32)----------------| | r_work = 0.3308 r_free = 0.3308 target = 0.042346 restraints weight = 205992.629| |-----------------------------------------------------------------------------| r_work (final): 0.3229 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3192 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3192 r_free = 0.3192 target_work(ls_wunit_k1) = 0.038 | | occupancies: max = 1.00 min = 0.21 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3192 r_free = 0.3192 target_work(ls_wunit_k1) = 0.038 | | occupancies: max = 1.00 min = 0.24 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3192 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8095 moved from start: 0.5434 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.046 11264 Z= 0.192 Angle : 0.498 4.354 15752 Z= 0.285 Chirality : 0.048 0.131 2060 Planarity : 0.004 0.039 2312 Dihedral : 4.082 14.733 2220 Min Nonbonded Distance : 2.490 Molprobity Statistics. All-atom Clashscore : 2.27 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.76 % Favored : 94.24 % 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 values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they aren not related in a simple way. whole: -0.10 (0.18), residues: 2208 helix: 1.54 (0.19), residues: 760 sheet: -1.01 (0.24), residues: 500 loop : -0.78 (0.20), residues: 948 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.022 0.001 TYR B 193 PHE 0.000 0.000 PHE A 176 TRP 0.007 0.002 TRP C 272 Details of bonding type rmsd covalent geometry : bond 0.00303 (11264) covalent geometry : angle 0.49812 (15752) hydrogen bonds : bond 0.03420 ( 768) hydrogen bonds : angle 5.12514 ( 2088) *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Evaluate side-chains 44 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 44 time to evaluate : 0.535 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 44 average time/residue: 0.0862 time to fit residues: 7.6492 Evaluate side-chains 44 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 44 time to evaluate : 0.534 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 172 optimal weight: 10.0000 chunk 93 optimal weight: 0.1980 chunk 113 optimal weight: 20.0000 chunk 200 optimal weight: 40.0000 chunk 96 optimal weight: 30.0000 chunk 16 optimal weight: 2.9990 chunk 103 optimal weight: 50.0000 chunk 100 optimal weight: 7.9990 chunk 45 optimal weight: 8.9990 chunk 126 optimal weight: 20.0000 chunk 112 optimal weight: 9.9990 overall best weight: 6.0388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3589 r_free = 0.3589 target = 0.053886 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 55)----------------| | r_work = 0.3207 r_free = 0.3207 target = 0.039213 restraints weight = 511053.568| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 23)----------------| | r_work = 0.3233 r_free = 0.3233 target = 0.039947 restraints weight = 364635.412| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 32)----------------| | r_work = 0.3254 r_free = 0.3254 target = 0.040716 restraints weight = 287100.751| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 4; iterations = 21)----------------| | r_work = 0.3265 r_free = 0.3265 target = 0.041007 restraints weight = 240992.060| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 5; iterations = 32)----------------| | r_work = 0.3278 r_free = 0.3278 target = 0.041492 restraints weight = 213127.713| |-----------------------------------------------------------------------------| r_work (final): 0.3198 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3198 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3198 r_free = 0.3198 target_work(ls_wunit_k1) = 0.040 | | occupancies: max = 1.00 min = 0.24 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3198 r_free = 0.3198 target_work(ls_wunit_k1) = 0.040 | | occupancies: max = 1.00 min = 0.22 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3198 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8123 moved from start: 0.6060 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.073 11264 Z= 0.209 Angle : 0.506 4.421 15752 Z= 0.294 Chirality : 0.048 0.131 2060 Planarity : 0.004 0.047 2312 Dihedral : 4.120 13.959 2220 Min Nonbonded Distance : 2.509 Molprobity Statistics. All-atom Clashscore : 4.72 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.49 % Favored : 92.51 % 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 values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they aren not related in a simple way. whole: -0.24 (0.18), residues: 2208 helix: 1.46 (0.19), residues: 756 sheet: -1.14 (0.24), residues: 492 loop : -0.86 (0.21), residues: 960 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.019 0.001 TYR C 193 PHE 0.000 0.000 PHE A 176 TRP 0.004 0.001 TRP D 272 Details of bonding type rmsd covalent geometry : bond 0.00340 (11264) covalent geometry : angle 0.50633 (15752) hydrogen bonds : bond 0.03907 ( 768) hydrogen bonds : angle 5.26910 ( 2088) *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Evaluate side-chains 44 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 44 time to evaluate : 0.511 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 44 average time/residue: 0.0871 time to fit residues: 7.6963 Evaluate side-chains 44 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 44 time to evaluate : 0.504 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 196 optimal weight: 20.0000 chunk 201 optimal weight: 30.0000 chunk 35 optimal weight: 30.0000 chunk 216 optimal weight: 6.9990 chunk 79 optimal weight: 8.9990 chunk 110 optimal weight: 20.0000 chunk 115 optimal weight: 0.0370 chunk 34 optimal weight: 5.9990 chunk 25 optimal weight: 30.0000 chunk 97 optimal weight: 9.9990 chunk 31 optimal weight: 0.0770 overall best weight: 4.4222 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3596 r_free = 0.3596 target = 0.054011 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 42)----------------| | r_work = 0.3221 r_free = 0.3221 target = 0.039665 restraints weight = 428316.004| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 18)----------------| | r_work = 0.3247 r_free = 0.3247 target = 0.040413 restraints weight = 327062.132| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 30)----------------| | r_work = 0.3260 r_free = 0.3260 target = 0.040943 restraints weight = 266462.514| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 4; iterations = 23)----------------| | r_work = 0.3271 r_free = 0.3271 target = 0.041236 restraints weight = 227834.287| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 5; iterations = 35)----------------| | r_work = 0.3282 r_free = 0.3282 target = 0.041682 restraints weight = 201498.493| |-----------------------------------------------------------------------------| r_work (final): 0.3179 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3164 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3164 r_free = 0.3164 target_work(ls_wunit_k1) = 0.037 | | occupancies: max = 1.00 min = 0.22 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3165 r_free = 0.3165 target_work(ls_wunit_k1) = 0.037 | | occupancies: max = 1.00 min = 0.19 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3165 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8133 moved from start: 0.6274 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.042 11264 Z= 0.155 Angle : 0.456 4.303 15752 Z= 0.255 Chirality : 0.048 0.129 2060 Planarity : 0.004 0.043 2312 Dihedral : 3.787 13.940 2220 Min Nonbonded Distance : 2.505 Molprobity Statistics. All-atom Clashscore : 1.73 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.99 % Favored : 94.01 % 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 values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they aren not related in a simple way. whole: -0.16 (0.18), residues: 2208 helix: 1.60 (0.19), residues: 784 sheet: -1.18 (0.24), residues: 492 loop : -0.91 (0.20), residues: 932 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.012 0.001 TYR A 193 PHE 0.000 0.000 PHE A 176 TRP 0.003 0.001 TRP B 272 Details of bonding type rmsd covalent geometry : bond 0.00250 (11264) covalent geometry : angle 0.45597 (15752) hydrogen bonds : bond 0.03201 ( 768) hydrogen bonds : angle 4.95701 ( 2088) *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Evaluate side-chains 44 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 44 time to evaluate : 0.516 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 44 average time/residue: 0.0849 time to fit residues: 7.5242 Evaluate side-chains 44 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 44 time to evaluate : 0.527 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 141 optimal weight: 7.9990 chunk 99 optimal weight: 20.0000 chunk 116 optimal weight: 30.0000 chunk 179 optimal weight: 8.9990 chunk 102 optimal weight: 50.0000 chunk 55 optimal weight: 20.0000 chunk 213 optimal weight: 50.0000 chunk 203 optimal weight: 5.9990 chunk 12 optimal weight: 20.0000 chunk 47 optimal weight: 50.0000 chunk 188 optimal weight: 7.9990 overall best weight: 10.1992 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3519 r_free = 0.3519 target = 0.051588 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 52)----------------| | r_work = 0.3147 r_free = 0.3147 target = 0.037516 restraints weight = 520891.976| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 37)----------------| | r_work = 0.3170 r_free = 0.3170 target = 0.038237 restraints weight = 389359.398| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 23)----------------| | r_work = 0.3180 r_free = 0.3180 target = 0.038514 restraints weight = 314830.453| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 4; iterations = 38)----------------| | r_work = 0.3196 r_free = 0.3196 target = 0.039092 restraints weight = 278880.716| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 5; iterations = 23)----------------| | r_work = 0.3207 r_free = 0.3207 target = 0.039382 restraints weight = 244802.498| |-----------------------------------------------------------------------------| r_work (final): 0.3141 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3141 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3141 r_free = 0.3141 target_work(ls_wunit_k1) = 0.038 | | occupancies: max = 1.00 min = 0.19 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3141 r_free = 0.3141 target_work(ls_wunit_k1) = 0.038 | | occupancies: max = 1.00 min = 0.16 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3141 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8216 moved from start: 0.7174 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.087 11264 Z= 0.321 Angle : 0.604 5.445 15752 Z= 0.372 Chirality : 0.048 0.135 2060 Planarity : 0.005 0.052 2312 Dihedral : 5.004 17.192 2220 Min Nonbonded Distance : 2.446 Molprobity Statistics. All-atom Clashscore : 12.48 Ramachandran Plot: Outliers : 0.00 % Allowed : 11.03 % Favored : 88.97 % 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 values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they aren not related in a simple way. whole: -1.16 (0.18), residues: 2208 helix: 0.25 (0.18), residues: 796 sheet: -1.11 (0.28), residues: 388 loop : -1.40 (0.19), residues: 1024 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.025 0.001 TYR C 193 PHE 0.000 0.000 PHE A 176 TRP 0.009 0.003 TRP B 272 Details of bonding type rmsd covalent geometry : bond 0.00485 (11264) covalent geometry : angle 0.60372 (15752) hydrogen bonds : bond 0.05030 ( 768) hydrogen bonds : angle 6.27822 ( 2088) *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Evaluate side-chains 46 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 46 time to evaluate : 0.438 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 46 average time/residue: 0.0847 time to fit residues: 7.8096 Evaluate side-chains 46 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 46 time to evaluate : 0.544 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 160 optimal weight: 50.0000 chunk 70 optimal weight: 20.0000 chunk 104 optimal weight: 0.0770 chunk 131 optimal weight: 0.0040 chunk 6 optimal weight: 8.9990 chunk 72 optimal weight: 0.0000 chunk 201 optimal weight: 20.0000 chunk 17 optimal weight: 9.9990 chunk 1 optimal weight: 20.0000 chunk 102 optimal weight: 50.0000 chunk 57 optimal weight: 6.9990 overall best weight: 3.2158 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3571 r_free = 0.3571 target = 0.053200 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 45)----------------| | r_work = 0.3205 r_free = 0.3205 target = 0.039337 restraints weight = 385470.216| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 37)----------------| | r_work = 0.3226 r_free = 0.3226 target = 0.040008 restraints weight = 300279.252| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 22)----------------| | r_work = 0.3237 r_free = 0.3237 target = 0.040298 restraints weight = 248553.468| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 4; iterations = 31)----------------| | r_work = 0.3251 r_free = 0.3251 target = 0.040816 restraints weight = 219770.708| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 5; iterations = 24)----------------| | r_work = 0.3263 r_free = 0.3263 target = 0.041120 restraints weight = 196596.404| |-----------------------------------------------------------------------------| r_work (final): 0.3159 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3155 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3155 r_free = 0.3155 target_work(ls_wunit_k1) = 0.037 | | occupancies: max = 1.00 min = 0.16 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3155 r_free = 0.3155 target_work(ls_wunit_k1) = 0.037 | | occupancies: max = 1.00 min = 0.07 number of occupancies < 0.1: 4 | |-----------------------------------------------------------------------------| r_final: 0.3155 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8165 moved from start: 0.7085 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.043 11264 Z= 0.136 Angle : 0.457 4.287 15752 Z= 0.255 Chirality : 0.048 0.130 2060 Planarity : 0.004 0.044 2312 Dihedral : 4.071 14.419 2220 Min Nonbonded Distance : 2.484 Molprobity Statistics. All-atom Clashscore : 2.51 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.58 % Favored : 93.42 % 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 values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they aren not related in a simple way. whole: -0.35 (0.19), residues: 2208 helix: 1.24 (0.19), residues: 784 sheet: -1.18 (0.28), residues: 400 loop : -0.96 (0.20), residues: 1024 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.012 0.001 TYR B 193 PHE 0.000 0.000 PHE A 176 TRP 0.004 0.001 TRP B 272 Details of bonding type rmsd covalent geometry : bond 0.00220 (11264) covalent geometry : angle 0.45664 (15752) hydrogen bonds : bond 0.03277 ( 768) hydrogen bonds : angle 5.32377 ( 2088) ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 4416 Ramachandran restraints generated. 2208 Oldfield, 0 Emsley, 2208 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Residue SER 139 is missing expected H atoms. Skipping. Residue LYS 140 is missing expected H atoms. Skipping. Residue SER 142 is missing expected H atoms. Skipping. Residue VAL 143 is missing expected H atoms. Skipping. Residue LYS 144 is missing expected H atoms. Skipping. Residue ILE 145 is missing expected H atoms. Skipping. Residue THR 146 is missing expected H atoms. Skipping. Residue LEU 148 is missing expected H atoms. Skipping. Residue LEU 151 is missing expected H atoms. Skipping. Residue ILE 154 is missing expected H atoms. Skipping. Residue MET 158 is missing expected H atoms. Skipping. Residue MET 159 is missing expected H atoms. Skipping. Residue VAL 160 is missing expected H atoms. Skipping. Residue ILE 161 is missing expected H atoms. Skipping. Residue THR 163 is missing expected H atoms. Skipping. Residue LYS 165 is missing expected H atoms. Skipping. Residue SER 166 is missing expected H atoms. Skipping. Residue ILE 168 is missing expected H atoms. Skipping. Residue VAL 169 is missing expected H atoms. Skipping. Residue ILE 170 is missing expected H atoms. Skipping. Residue MET 174 is missing expected H atoms. Skipping. Residue SER 175 is missing expected H atoms. Skipping. Residue LYS 178 is missing expected H atoms. Skipping. Residue LEU 181 is missing expected H atoms. Skipping. Residue VAL 184 is missing expected H atoms. Skipping. Residue ILE 186 is missing expected H atoms. Skipping. Residue LEU 187 is missing expected H atoms. Skipping. Residue ILE 188 is missing expected H atoms. Skipping. Residue SER 192 is missing expected H atoms. Skipping. Residue LEU 194 is missing expected H atoms. Skipping. Residue ILE 197 is missing expected H atoms. Skipping. Residue LYS 198 is missing expected H atoms. Skipping. Residue LYS 200 is missing expected H atoms. Skipping. Residue ILE 201 is missing expected H atoms. Skipping. Residue ILE 204 is missing expected H atoms. Skipping. Residue ILE 205 is missing expected H atoms. Skipping. Residue ILE 206 is missing expected H atoms. Skipping. Residue THR 207 is missing expected H atoms. Skipping. Residue ILE 214 is missing expected H atoms. Skipping. Residue THR 217 is missing expected H atoms. Skipping. Residue TYR 219 is missing expected H atoms. Skipping. Residue LEU 220 is missing expected H atoms. Skipping. Residue LYS 222 is missing expected H atoms. Skipping. Residue LEU 224 is missing expected H atoms. Skipping. Residue LEU 228 is missing expected H atoms. Skipping. Residue TYR 229 is missing expected H atoms. Skipping. Residue THR 231 is missing expected H atoms. Skipping. Residue LEU 233 is missing expected H atoms. Skipping. Residue SER 234 is missing expected H atoms. Skipping. Residue LEU 235 is missing expected H atoms. Skipping. Residue LEU 237 is missing expected H atoms. Skipping. Residue ILE 238 is missing expected H atoms. Skipping. Residue SER 240 is missing expected H atoms. Skipping. Residue LYS 241 is missing expected H atoms. Skipping. Residue LEU 247 is missing expected H atoms. Skipping. Residue LYS 248 is missing expected H atoms. Skipping. Residue LYS 249 is missing expected H atoms. Skipping. Residue TYR 250 is missing expected H atoms. Skipping. Residue SER 252 is missing expected H atoms. Skipping. Residue TYR 253 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue LYS 255 is missing expected H atoms. Skipping. Residue ILE 256 is missing expected H atoms. Skipping. Residue VAL 257 is missing expected H atoms. Skipping. Residue LYS 259 is missing expected H atoms. Skipping. Residue ILE 263 is missing expected H atoms. Skipping. Residue SER 264 is missing expected H atoms. Skipping. Residue VAL 265 is missing expected H atoms. Skipping. Residue ILE 269 is missing expected H atoms. Skipping. Residue ILE 270 is missing expected H atoms. Skipping. Residue ILE 273 is missing expected H atoms. Skipping. Residue ILE 275 is missing expected H atoms. Skipping. Residue THR 276 is missing expected H atoms. Skipping. Residue SER 278 is missing expected H atoms. Skipping. Residue ILE 279 is missing expected H atoms. Skipping. Residue ILE 280 is missing expected H atoms. Skipping. Residue SER 282 is missing expected H atoms. Skipping. Residue SER 283 is missing expected H atoms. Skipping. Residue LEU 285 is missing expected H atoms. Skipping. Residue ILE 287 is missing expected H atoms. Skipping. Residue THR 289 is missing expected H atoms. Skipping. Residue LYS 290 is missing expected H atoms. Skipping. Residue THR 293 is missing expected H atoms. Skipping. Residue ILE 294 is missing expected H atoms. Skipping. Residue ILE 295 is missing expected H atoms. Skipping. Residue THR 297 is missing expected H atoms. Skipping. Residue LYS 301 is missing expected H atoms. Skipping. Residue ILE 302 is missing expected H atoms. Skipping. Residue THR 305 is missing expected H atoms. Skipping. Residue VAL 307 is missing expected H atoms. Skipping. Residue LEU 310 is missing expected H atoms. Skipping. Residue THR 312 is missing expected H atoms. Skipping. Residue LEU 314 is missing expected H atoms. Skipping. Residue TYR 315 is missing expected H atoms. Skipping. Residue LEU 317 is missing expected H atoms. Skipping. Residue TYR 320 is missing expected H atoms. Skipping. Residue LYS 323 is missing expected H atoms. Skipping. Residue VAL 325 is missing expected H atoms. Skipping. Residue MET 326 is missing expected H atoms. Skipping. Residue LEU 327 is missing expected H atoms. Skipping. Residue LEU 328 is missing expected H atoms. Skipping. Residue LEU 329 is missing expected H atoms. Skipping. Residue SER 330 is missing expected H atoms. Skipping. Residue SER 332 is missing expected H atoms. Skipping. Residue THR 333 is missing expected H atoms. Skipping. Residue SER 335 is missing expected H atoms. Skipping. Residue LYS 337 is missing expected H atoms. Skipping. Residue SER 338 is missing expected H atoms. Skipping. Residue THR 340 is missing expected H atoms. Skipping. Residue THR 341 is missing expected H atoms. Skipping. Residue SER 343 is missing expected H atoms. Skipping. Residue SER 345 is missing expected H atoms. Skipping. Residue THR 346 is missing expected H atoms. Skipping. Residue ILE 347 is missing expected H atoms. Skipping. Residue THR 353 is missing expected H atoms. Skipping. Residue LEU 354 is missing expected H atoms. Skipping. Residue LYS 356 is missing expected H atoms. Skipping. Residue VAL 362 is missing expected H atoms. Skipping. Residue ILE 363 is missing expected H atoms. Skipping. Residue MET 364 is missing expected H atoms. Skipping. Residue SER 365 is missing expected H atoms. Skipping. Residue THR 366 is missing expected H atoms. Skipping. Residue SER 368 is missing expected H atoms. Skipping. Residue SER 369 is missing expected H atoms. Skipping. Residue ILE 371 is missing expected H atoms. Skipping. Residue VAL 374 is missing expected H atoms. Skipping. Residue TYR 375 is missing expected H atoms. Skipping. Residue ILE 378 is missing expected H atoms. Skipping. Residue TYR 380 is missing expected H atoms. Skipping. Residue ILE 382 is missing expected H atoms. Skipping. Residue LYS 383 is missing expected H atoms. Skipping. Residue TYR 384 is missing expected H atoms. Skipping. Residue LYS 387 is missing expected H atoms. Skipping. Residue ILE 388 is missing expected H atoms. Skipping. Residue VAL 390 is missing expected H atoms. Skipping. Residue ILE 391 is missing expected H atoms. Skipping. Residue SER 394 is missing expected H atoms. Skipping. Residue MET 395 is missing expected H atoms. Skipping. Residue LYS 397 is missing expected H atoms. Skipping. Residue LEU 399 is missing expected H atoms. Skipping. Residue ILE 401 is missing expected H atoms. Skipping. Residue LEU 405 is missing expected H atoms. Skipping. Residue TYR 407 is missing expected H atoms. Skipping. Residue ILE 408 is missing expected H atoms. Skipping. Residue LEU 410 is missing expected H atoms. Skipping. Residue TYR 412 is missing expected H atoms. Skipping. Residue SER 414 is missing expected H atoms. Skipping. Residue ILE 416 is missing expected H atoms. Skipping. Residue VAL 421 is missing expected H atoms. Skipping. Residue LYS 423 is missing expected H atoms. Skipping. Residue TYR 424 is missing expected H atoms. Skipping. Residue VAL 429 is missing expected H atoms. Skipping. Residue LEU 430 is missing expected H atoms. Skipping. Residue ILE 431 is missing expected H atoms. Skipping. Residue VAL 432 is missing expected H atoms. Skipping. Residue THR 433 is missing expected H atoms. Skipping. Residue THR 434 is missing expected H atoms. Skipping. Residue SER 436 is missing expected H atoms. Skipping. Residue THR 440 is missing expected H atoms. Skipping. Residue MET 441 is missing expected H atoms. Skipping. Residue SER 442 is missing expected H atoms. Skipping. Residue LEU 444 is missing expected H atoms. Skipping. Residue TYR 445 is missing expected H atoms. Skipping. Residue MET 447 is missing expected H atoms. Skipping. Residue THR 449 is missing expected H atoms. Skipping. Residue ILE 455 is missing expected H atoms. Skipping. Residue SER 456 is missing expected H atoms. Skipping. Residue ILE 457 is missing expected H atoms. Skipping. Residue LYS 458 is missing expected H atoms. Skipping. Residue LEU 462 is missing expected H atoms. Skipping. Residue VAL 463 is missing expected H atoms. Skipping. Residue ILE 464 is missing expected H atoms. Skipping. Residue ILE 465 is missing expected H atoms. Skipping. Residue SER 466 is missing expected H atoms. Skipping. Residue LYS 468 is missing expected H atoms. Skipping. Residue ILE 470 is missing expected H atoms. Skipping. Residue SER 476 is missing expected H atoms. Skipping. Residue VAL 477 is missing expected H atoms. Skipping. Residue SER 478 is missing expected H atoms. Skipping. Residue VAL 480 is missing expected H atoms. Skipping. Residue LEU 481 is missing expected H atoms. Skipping. Residue LEU 484 is missing expected H atoms. Skipping. Residue ILE 485 is missing expected H atoms. Skipping. Residue LYS 486 is missing expected H atoms. Skipping. Residue LYS 487 is missing expected H atoms. Skipping. Residue LYS 490 is missing expected H atoms. Skipping. Residue VAL 491 is missing expected H atoms. Skipping. Residue TYR 493 is missing expected H atoms. Skipping. Residue ILE 499 is missing expected H atoms. Skipping. Residue VAL 501 is missing expected H atoms. Skipping. Residue SER 502 is missing expected H atoms. Skipping. Residue LYS 511 is missing expected H atoms. Skipping. Residue LEU 512 is missing expected H atoms. Skipping. Residue MET 513 is missing expected H atoms. Skipping. Residue LEU 514 is missing expected H atoms. Skipping. Residue LEU 516 is missing expected H atoms. Skipping. Residue ILE 517 is missing expected H atoms. Skipping. Residue LYS 518 is missing expected H atoms. Skipping. Residue LYS 520 is missing expected H atoms. Skipping. Residue LEU 523 is missing expected H atoms. Skipping. Residue VAL 525 is missing expected H atoms. Skipping. Residue TYR 529 is missing expected H atoms. Skipping. Residue VAL 532 is missing expected H atoms. Skipping. Residue LYS 536 is missing expected H atoms. Skipping. Residue THR 538 is missing expected H atoms. Skipping. Residue ILE 540 is missing expected H atoms. Skipping. Residue SER 541 is missing expected H atoms. Skipping. Residue VAL 544 is missing expected H atoms. Skipping. Residue LYS 547 is missing expected H atoms. Skipping. Residue ILE 549 is missing expected H atoms. Skipping. Residue TYR 550 is missing expected H atoms. Skipping. Residue LEU 551 is missing expected H atoms. Skipping. Residue MET 552 is missing expected H atoms. Skipping. Residue VAL 558 is missing expected H atoms. Skipping. Residue VAL 560 is missing expected H atoms. Skipping. Residue ILE 565 is missing expected H atoms. Skipping. Residue LYS 566 is missing expected H atoms. Skipping. Residue LYS 567 is missing expected H atoms. Skipping. Residue VAL 568 is missing expected H atoms. Skipping. Residue THR 570 is missing expected H atoms. Skipping. Residue ILE 571 is missing expected H atoms. Skipping. Residue LYS 572 is missing expected H atoms. Skipping. Residue SER 573 is missing expected H atoms. Skipping. Residue LYS 575 is missing expected H atoms. Skipping. Residue SER 576 is missing expected H atoms. Skipping. Residue TYR 577 is missing expected H atoms. Skipping. Residue VAL 578 is missing expected H atoms. Skipping. Residue SER 582 is missing expected H atoms. Skipping. Residue LEU 584 is missing expected H atoms. Skipping. Residue SER 585 is missing expected H atoms. Skipping. Residue ILE 586 is missing expected H atoms. Skipping. Residue THR 588 is missing expected H atoms. Skipping. Residue SER 589 is missing expected H atoms. Skipping. Residue ILE 590 is missing expected H atoms. Skipping. Residue VAL 591 is missing expected H atoms. Skipping. Residue VAL 597 is missing expected H atoms. Skipping. Residue SER 599 is missing expected H atoms. Skipping. Residue VAL 602 is missing expected H atoms. Skipping. Residue ALA 604 is missing expected H atoms. Skipping. Residue THR 606 is missing expected H atoms. Skipping. Residue ILE 607 is missing expected H atoms. Skipping. Residue VAL 609 is missing expected H atoms. Skipping. Residue LYS 611 is missing expected H atoms. Skipping. Residue LYS 613 is missing expected H atoms. Skipping. Residue LEU 616 is missing expected H atoms. Skipping. Residue LEU 617 is missing expected H atoms. Skipping. Residue SER 619 is missing expected H atoms. Skipping. Residue SER 620 is missing expected H atoms. Skipping. Residue SER 623 is missing expected H atoms. Skipping. Residue SER 624 is missing expected H atoms. Skipping. Residue LEU 625 is missing expected H atoms. Skipping. Residue LEU 627 is missing expected H atoms. Skipping. Residue VAL 628 is missing expected H atoms. Skipping. Residue LYS 631 is missing expected H atoms. Skipping. Residue LYS 634 is missing expected H atoms. Skipping. Residue LEU 636 is missing expected H atoms. Skipping. Residue ILE 637 is missing expected H atoms. Skipping. Residue LYS 638 is missing expected H atoms. Skipping. Residue ILE 640 is missing expected H atoms. Skipping. Residue LEU 644 is missing expected H atoms. Skipping. Residue MET 646 is missing expected H atoms. Skipping. Residue LEU 647 is missing expected H atoms. Skipping. Residue LEU 648 is missing expected H atoms. Skipping. Residue LYS 649 is missing expected H atoms. Skipping. Residue SER 650 is missing expected H atoms. Skipping. Residue SER 651 is missing expected H atoms. Skipping. Residue ILE 655 is missing expected H atoms. Skipping. Residue LEU 656 is missing expected H atoms. Skipping. Residue LYS 660 is missing expected H atoms. Skipping. Residue LYS 661 is missing expected H atoms. Skipping. Residue LEU 662 is missing expected H atoms. Skipping. Residue THR 666 is missing expected H atoms. Skipping. Residue ILE 670 is missing expected H atoms. Skipping. Residue LYS 672 is missing expected H atoms. Skipping. Residue LEU 674 is missing expected H atoms. Skipping. Residue LYS 676 is missing expected H atoms. Skipping. Residue LYS 677 is missing expected H atoms. Skipping. Residue LYS 680 is missing expected H atoms. Skipping. Residue TYR 681 is missing expected H atoms. Skipping. Residue ILE 684 is missing expected H atoms. Skipping. Residue ILE 685 is missing expected H atoms. Skipping. Residue SER 690 is missing expected H atoms. Skipping. Evaluate side-chains 45 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 45 time to evaluate : 0.588 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 45 average time/residue: 0.0804 time to fit residues: 7.3256 Evaluate side-chains 45 residues out of total 1892 (non-[ALA,GLY,PRO]) need to be fit. rotamer outliers: 0 poor density : 45 time to evaluate : 0.614 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 220 random chunks: chunk 209 optimal weight: 20.0000 chunk 35 optimal weight: 20.0000 chunk 126 optimal weight: 0.0030 chunk 28 optimal weight: 0.0030 chunk 145 optimal weight: 40.0000 chunk 89 optimal weight: 10.0000 chunk 68 optimal weight: 10.0000 chunk 172 optimal weight: 9.9990 chunk 3 optimal weight: 0.7980 chunk 169 optimal weight: 20.0000 chunk 15 optimal weight: 20.0000 overall best weight: 4.1606 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3567 r_free = 0.3567 target = 0.053017 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 37)----------------| | r_work = 0.3172 r_free = 0.3172 target = 0.038388 restraints weight = 540038.386| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 27)----------------| | r_work = 0.3201 r_free = 0.3201 target = 0.039213 restraints weight = 383307.029| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 25)----------------| | r_work = 0.3218 r_free = 0.3218 target = 0.039676 restraints weight = 296967.051| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 4; iterations = 45)----------------| | r_work = 0.3235 r_free = 0.3235 target = 0.040261 restraints weight = 253389.240| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 5; iterations = 23)----------------| | r_work = 0.3247 r_free = 0.3247 target = 0.040553 restraints weight = 219609.123| |-----------------------------------------------------------------------------| r_work (final): 0.3143 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3142 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3142 r_free = 0.3142 target_work(ls_wunit_k1) = 0.036 | | occupancies: max = 1.00 min = 0.07 number of occupancies < 0.1: 4 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3142 r_free = 0.3142 target_work(ls_wunit_k1) = 0.036 | | occupancies: max = 1.00 min = 0.00 number of occupancies < 0.1: 12 | |-----------------------------------------------------------------------------| r_final: 0.3142 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8184 moved from start: 0.7248 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.051 11264 Z= 0.157 Angle : 0.456 4.281 15752 Z= 0.256 Chirality : 0.048 0.128 2060 Planarity : 0.004 0.046 2312 Dihedral : 3.844 14.849 2220 Min Nonbonded Distance : 2.456 Molprobity Statistics. All-atom Clashscore : 2.57 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.17 % Favored : 91.83 % 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 values with (uncertainties): Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores below are scaled independently, so they aren not related in a simple way. whole: -0.20 (0.19), residues: 2208 helix: 1.47 (0.19), residues: 784 sheet: -1.14 (0.28), residues: 392 loop : -0.94 (0.19), residues: 1032 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.014 0.001 TYR C 193 PHE 0.000 0.000 PHE A 176 TRP 0.003 0.001 TRP B 272 Details of bonding type rmsd covalent geometry : bond 0.00259 (11264) covalent geometry : angle 0.45560 (15752) hydrogen bonds : bond 0.03343 ( 768) hydrogen bonds : angle 5.09413 ( 2088) Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 3078.47 seconds wall clock time: 52 minutes 53.69 seconds (3173.69 seconds total)